Cc (9)¶

Date page updated: 2018-4-17
Space group type: Cc (9) / C -2yc
Number of formula units (Z): 12
Phonon raw data: mp-15560-20180417.tar.lzma
Link to Materials Project: https://www.materialsproject.org/materials/mp-15560/
Phonon band structure¶

Phonon DOS¶

Thermal properties at constant volume¶

Imaginary modes are excluded if they exist.
POSCAR.yaml¶

POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.
lattice:
- [    13.0592737400000001,     0.0000000000000000,    -0.0058714600000000 ] # a
- [     0.0000000000000000,    19.0192333100000006,     0.0000000000000000 ] # b
- [    -5.6003022900000001,     0.0000000000000000,     7.5038660100000003 ] # c
points:
- symbol: O  # 1
  coordinates: [  0.1278064500000000,  0.8107033700000000,  0.8165022100000000 ]
  mass: 15.999400
- symbol: O  # 2
  coordinates: [  0.6278064500000000,  0.6892966300000000,  0.3165022100000000 ]
  mass: 15.999400
- symbol: O  # 3
  coordinates: [  0.4225936800000000,  0.5191215800000000,  0.6485974900000000 ]
  mass: 15.999400
- symbol: O  # 4
  coordinates: [  0.9225936800000000,  0.9808784200000000,  0.1485974900000000 ]
  mass: 15.999400
- symbol: O  # 5
  coordinates: [  0.2939200700000000,  0.6100540000000000,  0.3538535800000000 ]
  mass: 15.999400
- symbol: O  # 6
  coordinates: [  0.7939200700000000,  0.8899460000000000,  0.8538535800000000 ]
  mass: 15.999400
- symbol: O  # 7
  coordinates: [  0.5377377800000001,  0.9060621500000000,  0.1552098500000000 ]
  mass: 15.999400
- symbol: O  # 8
  coordinates: [  0.0377377800000000,  0.5939378500000000,  0.6552098500000000 ]
  mass: 15.999400
- symbol: O  # 9
  coordinates: [  0.3991869100000000,  0.8056540300000000,  0.0952286100000000 ]
  mass: 15.999400
- symbol: O  # 10
  coordinates: [  0.8991869100000000,  0.6943459700000000,  0.5952286100000000 ]
  mass: 15.999400
- symbol: O  # 11
  coordinates: [  0.1036325600000000,  0.7278198200000000,  0.2464004900000000 ]
  mass: 15.999400
- symbol: O  # 12
  coordinates: [  0.6036325600000000,  0.7721801800000000,  0.7464004900000000 ]
  mass: 15.999400
- symbol: O  # 13
  coordinates: [  0.9869553900000000,  0.8102085400000000,  0.9999466500000000 ]
  mass: 15.999400
- symbol: O  # 14
  coordinates: [  0.4869553900000000,  0.6897914600000000,  0.4999466500000000 ]
  mass: 15.999400
- symbol: O  # 15
  coordinates: [  0.8561753700000000,  0.8306143100000000,  0.6705754900000001 ]
  mass: 15.999400
- symbol: O  # 16
  coordinates: [  0.3561753700000000,  0.6693856900000000,  0.1705754900000000 ]
  mass: 15.999400
- symbol: O  # 17
  coordinates: [  0.7819873700000000,  0.7883413000000000,  0.3325652200000000 ]
  mass: 15.999400
- symbol: O  # 18
  coordinates: [  0.2819873700000000,  0.7116587000000000,  0.8325652200000000 ]
  mass: 15.999400
- symbol: O  # 19
  coordinates: [  0.9011918200000000,  0.6603043100000000,  0.1098357300000000 ]
  mass: 15.999400
- symbol: O  # 20
  coordinates: [  0.4011918200000000,  0.8396956900000000,  0.6098357300000000 ]
  mass: 15.999400
- symbol: O  # 21
  coordinates: [  0.1032409300000000,  0.9388989900000000,  0.7394722100000000 ]
  mass: 15.999400
- symbol: O  # 22
  coordinates: [  0.6032409300000000,  0.5611010100000000,  0.2394722100000000 ]
  mass: 15.999400
- symbol: O  # 23
  coordinates: [  0.1455435300000000,  0.8574213700000000,  0.3143481200000000 ]
  mass: 15.999400
- symbol: O  # 24
  coordinates: [  0.6455435300000000,  0.6425786300000000,  0.8143481200000000 ]
  mass: 15.999400
- symbol: O  # 25
  coordinates: [  0.9209304600000000,  0.6002830200000000,  0.7948898700000000 ]
  mass: 15.999400
- symbol: O  # 26
  coordinates: [  0.4209304600000000,  0.8997169800000000,  0.2948898700000000 ]
  mass: 15.999400
- symbol: O  # 27
  coordinates: [  0.5509476600000000,  0.9763374900000000,  0.5551414500000000 ]
  mass: 15.999400
- symbol: O  # 28
  coordinates: [  0.0509476600000000,  0.5236625100000000,  0.0551414500000000 ]
  mass: 15.999400
- symbol: O  # 29
  coordinates: [  0.7472694000000000,  0.9474899900000000,  0.2132107000000000 ]
  mass: 15.999400
- symbol: O  # 30
  coordinates: [  0.2472694000000000,  0.5525100100000000,  0.7132107000000000 ]
  mass: 15.999400
- symbol: O  # 31
  coordinates: [  0.6705981600000001,  0.9987765300000000,  0.3843573200000000 ]
  mass: 15.999400
- symbol: O  # 32
  coordinates: [  0.1705981600000000,  0.5012234700000000,  0.8843573200000000 ]
  mass: 15.999400
- symbol: O  # 33
  coordinates: [  0.1091929800000000,  0.6781048200000001,  0.9118556799999999 ]
  mass: 15.999400
- symbol: O  # 34
  coordinates: [  0.6091929800000000,  0.8218951799999999,  0.4118556800000000 ]
  mass: 15.999400
- symbol: O  # 35
  coordinates: [  0.4843489800000000,  0.7621916900000000,  0.8819811700000000 ]
  mass: 15.999400
- symbol: O  # 36
  coordinates: [  0.9843489800000000,  0.7378083100000000,  0.3819811700000000 ]
  mass: 15.999400
- symbol: O  # 37
  coordinates: [  0.2257579900000000,  0.7902266900000000,  0.1627593700000000 ]
  mass: 15.999400
- symbol: O  # 38
  coordinates: [  0.7257579900000000,  0.7097733100000000,  0.6627593700000000 ]
  mass: 15.999400
- symbol: O  # 39
  coordinates: [  0.3946787200000000,  0.9688553400000000,  0.7492633800000000 ]
  mass: 15.999400
- symbol: O  # 40
  coordinates: [  0.8946787200000000,  0.5311446600000000,  0.2492633800000000 ]
  mass: 15.999400
- symbol: O  # 41
  coordinates: [  0.1358842400000000,  0.9762634700000000,  0.4654226100000000 ]
  mass: 15.999400
- symbol: O  # 42
  coordinates: [  0.6358842400000000,  0.5237365300000000,  0.9654226100000000 ]
  mass: 15.999400
- symbol: O  # 43
  coordinates: [  0.6072885500000000,  0.8692887300000000,  0.9212205100000000 ]
  mass: 15.999400
- symbol: O  # 44
  coordinates: [  0.1072885500000000,  0.6307112700000000,  0.4212205100000000 ]
  mass: 15.999400
- symbol: O  # 45
  coordinates: [  0.7277306500000000,  0.6385532600000000,  0.1743310100000000 ]
  mass: 15.999400
- symbol: O  # 46
  coordinates: [  0.2277306500000000,  0.8614467400000000,  0.6743310100000000 ]
  mass: 15.999400
- symbol: O  # 47
  coordinates: [  0.4942179900000000,  0.5740367700000000,  0.3894090700000000 ]
  mass: 15.999400
- symbol: O  # 48
  coordinates: [  0.9942179900000000,  0.9259632300000000,  0.8894090700000000 ]
  mass: 15.999400
- symbol: O  # 49
  coordinates: [  0.3657954400000000,  0.6625146800000000,  0.6682711500000000 ]
  mass: 15.999400
- symbol: O  # 50
  coordinates: [  0.8657954400000000,  0.8374853200000000,  0.1682711500000000 ]
  mass: 15.999400
- symbol: O  # 51
  coordinates: [  0.8136285200000000,  0.5348724900000000,  0.9010842900000000 ]
  mass: 15.999400
- symbol: O  # 52
  coordinates: [  0.3136285200000000,  0.9651275100000000,  0.4010842900000000 ]
  mass: 15.999400
- symbol: O  # 53
  coordinates: [  0.4868222900000000,  0.6445790900000000,  0.9980629800000000 ]
  mass: 15.999400
- symbol: O  # 54
  coordinates: [  0.9868222900000000,  0.8554209100000000,  0.4980629800000000 ]
  mass: 15.999400
- symbol: O  # 55
  coordinates: [  0.6278064500000000,  0.3107033700000000,  0.8165022100000000 ]
  mass: 15.999400
- symbol: O  # 56
  coordinates: [  0.1278064500000000,  0.1892966300000000,  0.3165022100000000 ]
  mass: 15.999400
- symbol: O  # 57
  coordinates: [  0.9225936800000000,  0.0191215800000000,  0.6485974900000000 ]
  mass: 15.999400
- symbol: O  # 58
  coordinates: [  0.4225936800000000,  0.4808784200000000,  0.1485974900000000 ]
  mass: 15.999400
- symbol: O  # 59
  coordinates: [  0.7939200700000000,  0.1100540000000000,  0.3538535800000000 ]
  mass: 15.999400
- symbol: O  # 60
  coordinates: [  0.2939200700000000,  0.3899460000000000,  0.8538535800000000 ]
  mass: 15.999400
- symbol: O  # 61
  coordinates: [  0.0377377800000000,  0.4060621500000000,  0.1552098500000000 ]
  mass: 15.999400
- symbol: O  # 62
  coordinates: [  0.5377377800000001,  0.0939378500000000,  0.6552098500000000 ]
  mass: 15.999400
- symbol: O  # 63
  coordinates: [  0.8991869100000000,  0.3056540300000000,  0.0952286100000000 ]
  mass: 15.999400
- symbol: O  # 64
  coordinates: [  0.3991869100000000,  0.1943459700000000,  0.5952286100000000 ]
  mass: 15.999400
- symbol: O  # 65
  coordinates: [  0.6036325600000000,  0.2278198200000000,  0.2464004900000000 ]
  mass: 15.999400
- symbol: O  # 66
  coordinates: [  0.1036325600000000,  0.2721801800000000,  0.7464004900000000 ]
  mass: 15.999400
- symbol: O  # 67
  coordinates: [  0.4869553900000000,  0.3102085400000000,  0.9999466500000000 ]
  mass: 15.999400
- symbol: O  # 68
  coordinates: [  0.9869553900000000,  0.1897914600000000,  0.4999466500000000 ]
  mass: 15.999400
- symbol: O  # 69
  coordinates: [  0.3561753700000000,  0.3306143100000000,  0.6705754900000001 ]
  mass: 15.999400
- symbol: O  # 70
  coordinates: [  0.8561753700000000,  0.1693856900000000,  0.1705754900000000 ]
  mass: 15.999400
- symbol: O  # 71
  coordinates: [  0.2819873700000000,  0.2883413000000000,  0.3325652200000000 ]
  mass: 15.999400
- symbol: O  # 72
  coordinates: [  0.7819873700000000,  0.2116587000000000,  0.8325652200000000 ]
  mass: 15.999400
- symbol: O  # 73
  coordinates: [  0.4011918200000000,  0.1603043100000000,  0.1098357300000000 ]
  mass: 15.999400
- symbol: O  # 74
  coordinates: [  0.9011918200000000,  0.3396956900000000,  0.6098357300000000 ]
  mass: 15.999400
- symbol: O  # 75
  coordinates: [  0.6032409300000000,  0.4388989900000000,  0.7394722100000000 ]
  mass: 15.999400
- symbol: O  # 76
  coordinates: [  0.1032409300000000,  0.0611010100000000,  0.2394722100000000 ]
  mass: 15.999400
- symbol: O  # 77
  coordinates: [  0.6455435300000000,  0.3574213700000000,  0.3143481200000000 ]
  mass: 15.999400
- symbol: O  # 78
  coordinates: [  0.1455435300000000,  0.1425786300000000,  0.8143481200000000 ]
  mass: 15.999400
- symbol: O  # 79
  coordinates: [  0.4209304600000000,  0.1002830200000000,  0.7948898700000000 ]
  mass: 15.999400
- symbol: O  # 80
  coordinates: [  0.9209304600000000,  0.3997169800000000,  0.2948898700000000 ]
  mass: 15.999400
- symbol: O  # 81
  coordinates: [  0.0509476600000000,  0.4763374900000000,  0.5551414500000000 ]
  mass: 15.999400
- symbol: O  # 82
  coordinates: [  0.5509476600000000,  0.0236625100000000,  0.0551414500000000 ]
  mass: 15.999400
- symbol: O  # 83
  coordinates: [  0.2472694000000000,  0.4474899900000000,  0.2132107000000000 ]
  mass: 15.999400
- symbol: O  # 84
  coordinates: [  0.7472694000000000,  0.0525100100000000,  0.7132107000000000 ]
  mass: 15.999400
- symbol: O  # 85
  coordinates: [  0.1705981600000000,  0.4987765300000000,  0.3843573200000000 ]
  mass: 15.999400
- symbol: O  # 86
  coordinates: [  0.6705981600000001,  0.0012234700000000,  0.8843573200000000 ]
  mass: 15.999400
- symbol: O  # 87
  coordinates: [  0.6091929800000000,  0.1781048200000000,  0.9118556799999999 ]
  mass: 15.999400
- symbol: O  # 88
  coordinates: [  0.1091929800000000,  0.3218951800000000,  0.4118556800000000 ]
  mass: 15.999400
- symbol: O  # 89
  coordinates: [  0.9843489800000000,  0.2621916900000000,  0.8819811700000000 ]
  mass: 15.999400
- symbol: O  # 90
  coordinates: [  0.4843489800000000,  0.2378083100000000,  0.3819811700000000 ]
  mass: 15.999400
- symbol: O  # 91
  coordinates: [  0.7257579900000000,  0.2902266900000000,  0.1627593700000000 ]
  mass: 15.999400
- symbol: O  # 92
  coordinates: [  0.2257579900000000,  0.2097733100000000,  0.6627593700000000 ]
  mass: 15.999400
- symbol: O  # 93
  coordinates: [  0.8946787200000000,  0.4688553400000000,  0.7492633800000000 ]
  mass: 15.999400
- symbol: O  # 94
  coordinates: [  0.3946787200000000,  0.0311446600000000,  0.2492633800000000 ]
  mass: 15.999400
- symbol: O  # 95
  coordinates: [  0.6358842400000000,  0.4762634700000000,  0.4654226100000000 ]
  mass: 15.999400
- symbol: O  # 96
  coordinates: [  0.1358842400000000,  0.0237365300000000,  0.9654226100000000 ]
  mass: 15.999400
- symbol: O  # 97
  coordinates: [  0.1072885500000000,  0.3692887300000000,  0.9212205100000000 ]
  mass: 15.999400
- symbol: O  # 98
  coordinates: [  0.6072885500000000,  0.1307112700000000,  0.4212205100000000 ]
  mass: 15.999400
- symbol: O  # 99
  coordinates: [  0.2277306500000000,  0.1385532600000000,  0.1743310100000000 ]
  mass: 15.999400
- symbol: O  # 100
  coordinates: [  0.7277306500000000,  0.3614467400000000,  0.6743310100000000 ]
  mass: 15.999400
- symbol: O  # 101
  coordinates: [  0.9942179900000000,  0.0740367700000000,  0.3894090700000000 ]
  mass: 15.999400
- symbol: O  # 102
  coordinates: [  0.4942179900000000,  0.4259632300000000,  0.8894090700000000 ]
  mass: 15.999400
- symbol: O  # 103
  coordinates: [  0.8657954400000000,  0.1625146800000000,  0.6682711500000000 ]
  mass: 15.999400
- symbol: O  # 104
  coordinates: [  0.3657954400000000,  0.3374853200000000,  0.1682711500000000 ]
  mass: 15.999400
- symbol: O  # 105
  coordinates: [  0.3136285200000000,  0.0348724900000000,  0.9010842900000000 ]
  mass: 15.999400
- symbol: O  # 106
  coordinates: [  0.8136285200000000,  0.4651275100000000,  0.4010842900000000 ]
  mass: 15.999400
- symbol: O  # 107
  coordinates: [  0.9868222900000000,  0.1445790900000000,  0.9980629800000000 ]
  mass: 15.999400
- symbol: O  # 108
  coordinates: [  0.4868222900000000,  0.3554209100000000,  0.4980629800000000 ]
  mass: 15.999400
- symbol: P  # 109
  coordinates: [  0.6365620800000000,  0.9690141200000000,  0.2127019500000000 ]
  mass: 30.973762
- symbol: P  # 110
  coordinates: [  0.1365620800000000,  0.5309858800000000,  0.7127019500000000 ]
  mass: 30.973762
- symbol: P  # 111
  coordinates: [  0.4121562600000000,  0.9727513500000000,  0.3685576500000000 ]
  mass: 30.973762
- symbol: P  # 112
  coordinates: [  0.9121562600000001,  0.5272486500000000,  0.8685576500000000 ]
  mass: 30.973762
- symbol: P  # 113
  coordinates: [  0.0347791800000000,  0.9822891400000000,  0.8057912300000000 ]
  mass: 30.973762
- symbol: P  # 114
  coordinates: [  0.5347791800000000,  0.5177108600000000,  0.3057912300000000 ]
  mass: 30.973762
- symbol: P  # 115
  coordinates: [  0.0198705700000000,  0.6841592700000000,  0.2854947600000000 ]
  mass: 30.973762
- symbol: P  # 116
  coordinates: [  0.5198705700000000,  0.8158407300000000,  0.7854947600000000 ]
  mass: 30.973762
- symbol: P  # 117
  coordinates: [  0.6199096400000000,  0.6377509800000000,  0.1894709700000000 ]
  mass: 30.973762
- symbol: P  # 118
  coordinates: [  0.1199096400000000,  0.8622490200000000,  0.6894709700000000 ]
  mass: 30.973762
- symbol: P  # 119
  coordinates: [  0.6234727100000000,  0.6986510700000000,  0.6869979500000000 ]
  mass: 30.973762
- symbol: P  # 120
  coordinates: [  0.1234727100000000,  0.8013489300000000,  0.1869979500000000 ]
  mass: 30.973762
- symbol: P  # 121
  coordinates: [  0.9952424900000000,  0.6471021300000001,  0.7437589300000000 ]
  mass: 30.973762
- symbol: P  # 122
  coordinates: [  0.4952424900000000,  0.8528978699999999,  0.2437589300000000 ]
  mass: 30.973762
- symbol: P  # 123
  coordinates: [  0.8969419800000000,  0.8637969400000000,  0.8418987700000000 ]
  mass: 30.973762
- symbol: P  # 124
  coordinates: [  0.3969419800000000,  0.6362030600000000,  0.3418987700000000 ]
  mass: 30.973762
- symbol: P  # 125
  coordinates: [  0.8950471100000000,  0.8048260100000000,  0.3348955000000000 ]
  mass: 30.973762
- symbol: P  # 126
  coordinates: [  0.3950471100000000,  0.6951739900000000,  0.8348955000000000 ]
  mass: 30.973762
- symbol: P  # 127
  coordinates: [  0.1365620800000000,  0.4690141200000000,  0.2127019500000000 ]
  mass: 30.973762
- symbol: P  # 128
  coordinates: [  0.6365620800000000,  0.0309858800000000,  0.7127019500000000 ]
  mass: 30.973762
- symbol: P  # 129
  coordinates: [  0.9121562600000001,  0.4727513500000000,  0.3685576500000000 ]
  mass: 30.973762
- symbol: P  # 130
  coordinates: [  0.4121562600000000,  0.0272486500000000,  0.8685576500000000 ]
  mass: 30.973762
- symbol: P  # 131
  coordinates: [  0.5347791800000000,  0.4822891400000000,  0.8057912300000000 ]
  mass: 30.973762
- symbol: P  # 132
  coordinates: [  0.0347791800000000,  0.0177108600000000,  0.3057912300000000 ]
  mass: 30.973762
- symbol: P  # 133
  coordinates: [  0.5198705700000000,  0.1841592700000000,  0.2854947600000000 ]
  mass: 30.973762
- symbol: P  # 134
  coordinates: [  0.0198705700000000,  0.3158407300000000,  0.7854947600000000 ]
  mass: 30.973762
- symbol: P  # 135
  coordinates: [  0.1199096400000000,  0.1377509800000000,  0.1894709700000000 ]
  mass: 30.973762
- symbol: P  # 136
  coordinates: [  0.6199096400000000,  0.3622490200000000,  0.6894709700000000 ]
  mass: 30.973762
- symbol: P  # 137
  coordinates: [  0.1234727100000000,  0.1986510700000000,  0.6869979500000000 ]
  mass: 30.973762
- symbol: P  # 138
  coordinates: [  0.6234727100000000,  0.3013489300000000,  0.1869979500000000 ]
  mass: 30.973762
- symbol: P  # 139
  coordinates: [  0.4952424900000000,  0.1471021300000000,  0.7437589300000000 ]
  mass: 30.973762
- symbol: P  # 140
  coordinates: [  0.9952424900000000,  0.3528978700000000,  0.2437589300000000 ]
  mass: 30.973762
- symbol: P  # 141
  coordinates: [  0.3969419800000000,  0.3637969400000000,  0.8418987700000000 ]
  mass: 30.973762
- symbol: P  # 142
  coordinates: [  0.8969419800000000,  0.1362030600000000,  0.3418987700000000 ]
  mass: 30.973762
- symbol: P  # 143
  coordinates: [  0.3950471100000000,  0.3048260100000000,  0.3348955000000000 ]
  mass: 30.973762
- symbol: P  # 144
  coordinates: [  0.8950471100000000,  0.1951739900000000,  0.8348955000000000 ]
  mass: 30.973762
- symbol: Ga # 145
  coordinates: [  0.7716166500000000,  0.5888149000000000,  0.0353830400000000 ]
  mass: 69.723000
- symbol: Ga # 146
  coordinates: [  0.2716166500000000,  0.9111851000000000,  0.5353830400000000 ]
  mass: 69.723000
- symbol: Ga # 147
  coordinates: [  0.7693475300000000,  0.9206245199999999,  0.0314993300000000 ]
  mass: 69.723000
- symbol: Ga # 148
  coordinates: [  0.2693475300000000,  0.5793754800000001,  0.5314993300000000 ]
  mass: 69.723000
- symbol: Ga # 149
  coordinates: [  0.7506499900000000,  0.7557527200000000,  0.5002837100000000 ]
  mass: 69.723000
- symbol: Ga # 150
  coordinates: [  0.2506499900000000,  0.7442472800000000,  0.0002837100000000 ]
  mass: 69.723000
- symbol: Ga # 151
  coordinates: [  0.2716166500000000,  0.0888149000000000,  0.0353830400000000 ]
  mass: 69.723000
- symbol: Ga # 152
  coordinates: [  0.7716166500000000,  0.4111851000000000,  0.5353830400000000 ]
  mass: 69.723000
- symbol: Ga # 153
  coordinates: [  0.2693475300000000,  0.4206245200000000,  0.0314993300000000 ]
  mass: 69.723000
- symbol: Ga # 154
  coordinates: [  0.7693475300000000,  0.0793754800000000,  0.5314993300000000 ]
  mass: 69.723000
- symbol: Ga # 155
  coordinates: [  0.2506499900000000,  0.2557527200000000,  0.5002837100000000 ]
  mass: 69.723000
- symbol: Ga # 156
  coordinates: [  0.7506499900000000,  0.2442472800000000,  0.0002837100000000 ]
  mass: 69.723000
poscar_order:
- 1
- 2
- 3
- 4
- 5
- 6
- 7
- 8
- 9
- 10
- 11
- 12
- 13
- 14
- 15
- 16
- 17
- 18
- 19
- 20
- 21
- 22
- 23
- 24
- 25
- 26
- 27
- 28
- 29
- 30
- 31
- 32
- 33
- 34
- 35
- 36
- 37
- 38
- 39
- 40
- 41
- 42
- 43
- 44
- 45
- 46
- 47
- 48
- 49
- 50
- 51
- 52
- 53
- 54
- 55
- 56
- 57
- 58
- 59
- 60
- 61
- 62
- 63
- 64
- 65
- 66
- 67
- 68
- 69
- 70
- 71
- 72
- 73
- 74
- 75
- 76
- 77
- 78
- 79
- 80
- 81
- 82
- 83
- 84
- 85
- 86
- 87
- 88
- 89
- 90
- 91
- 92
- 93
- 94
- 95
- 96
- 97
- 98
- 99
- 100
- 101
- 102
- 103
- 104
- 105
- 106
- 107
- 108
- 109
- 110
- 111
- 112
- 113
- 114
- 115
- 116
- 117
- 118
- 119
- 120
- 121
- 122
- 123
- 124
- 125
- 126
- 127
- 128
- 129
- 130
- 131
- 132
- 133
- 134
- 135
- 136
- 137
- 138
- 139
- 140
- 141
- 142
- 143
- 144
- 145
- 146
- 147
- 148
- 149
- 150
- 151
- 152
- 153
- 154
- 155
- 156
Citation¶

The initial crystal structure used to perform phonon calculation is obtained from the Materials Project. The phonon band structure paths are determined using SeeK-path. More details about how to obtain the crystal structure, how to determine the band structure paths, and those citations are found at References and citations.
License¶

The contents of this web page are licensed under a Creative Commons 4.0 Attribution International License.