Materials id 568365 / Li6Br3N / Ibca (73)¶
- Date page updated: 2018-4-17
- Space group type: Ibca (73) / -I 2b 2c
- Number of formula units (Z): 16
- Phonon raw data:
mp-568365-20180417.tar.lzma - Link to Materials Project: https://www.materialsproject.org/materials/mp-568365/
Phonon band structure¶
Phonon DOS¶
POSCAR.yaml¶
POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.
lattice:
- [ 11.3001811700000001, 0.0000000000000000, 0.0000000000000000 ] # a
- [ 0.0000000000000000, 11.4165732599999998, 0.0000000000000000 ] # b
- [ 0.0000000000000000, 0.0000000000000000, 22.3997759199999997 ] # c
points:
- symbol: Li # 1
coordinates: [ 0.9341281600000000, 0.3920192600000000, 0.9426369100000001 ]
mass: 6.941000
- symbol: Li # 2
coordinates: [ 0.8168422400000001, 0.8557484400000001, 0.6927133500000000 ]
mass: 6.941000
- symbol: Li # 3
coordinates: [ 0.6080770599999999, 0.8888074200000000, 0.5360228300000000 ]
mass: 6.941000
- symbol: Li # 4
coordinates: [ 0.9341281600000000, 0.6079807400000000, 0.5573630899999999 ]
mass: 6.941000
- symbol: Li # 5
coordinates: [ 0.6831577599999999, 0.3557484400000000, 0.6927133500000000 ]
mass: 6.941000
- symbol: Li # 6
coordinates: [ 0.3541848300000000, 0.8221286400000000, 0.6929890900000000 ]
mass: 6.941000
- symbol: Li # 7
coordinates: [ 0.8873317200000000, 0.9334586300000000, 0.9456123500000000 ]
mass: 6.941000
- symbol: Li # 8
coordinates: [ 0.3873317200000000, 0.9334586300000000, 0.5543876500000000 ]
mass: 6.941000
- symbol: Li # 9
coordinates: [ 0.8541848300000000, 0.1778713600000000, 0.6929890900000000 ]
mass: 6.941000
- symbol: Li # 10
coordinates: [ 0.1080770600000000, 0.1111925800000000, 0.5360228300000000 ]
mass: 6.941000
- symbol: Li # 11
coordinates: [ 0.1126682800000000, 0.5665413700000000, 0.9456123500000000 ]
mass: 6.941000
- symbol: Li # 12
coordinates: [ 0.6831577599999999, 0.6442515599999999, 0.8072866500000000 ]
mass: 6.941000
- symbol: Li # 13
coordinates: [ 0.6346922900000000, 0.8591668300000000, 0.7804072300000000 ]
mass: 6.941000
- symbol: Li # 14
coordinates: [ 0.3873317200000000, 0.0665413700000000, 0.9456123500000000 ]
mass: 6.941000
- symbol: Li # 15
coordinates: [ 0.6080770599999999, 0.1111925800000000, 0.9639771700000000 ]
mass: 6.941000
- symbol: Li # 16
coordinates: [ 0.3168422400000000, 0.8557484400000001, 0.8072866500000000 ]
mass: 6.941000
- symbol: Li # 17
coordinates: [ 0.4341281600000000, 0.3920192600000000, 0.5573630899999999 ]
mass: 6.941000
- symbol: Li # 18
coordinates: [ 0.1458151700000000, 0.6778713600000000, 0.8070109100000000 ]
mass: 6.941000
- symbol: Li # 19
coordinates: [ 0.6126682800000000, 0.5665413700000000, 0.5543876500000000 ]
mass: 6.941000
- symbol: Li # 20
coordinates: [ 0.5658718400000000, 0.8920192600000000, 0.9426369100000001 ]
mass: 6.941000
- symbol: Li # 21
coordinates: [ 0.5658718400000000, 0.1079807400000000, 0.5573630899999999 ]
mass: 6.941000
- symbol: Li # 22
coordinates: [ 0.3653077100000000, 0.6408331700000000, 0.7804072300000000 ]
mass: 6.941000
- symbol: Li # 23
coordinates: [ 0.3653077100000000, 0.3591668300000000, 0.7195927700000000 ]
mass: 6.941000
- symbol: Li # 24
coordinates: [ 0.6346922900000000, 0.1408331700000000, 0.7195927700000000 ]
mass: 6.941000
- symbol: Li # 25
coordinates: [ 0.6458151700000000, 0.6778713600000000, 0.6929890900000000 ]
mass: 6.941000
- symbol: Li # 26
coordinates: [ 0.1458151700000000, 0.3221286400000000, 0.6929890900000000 ]
mass: 6.941000
- symbol: Li # 27
coordinates: [ 0.8653077100000000, 0.6408331700000000, 0.7195927700000000 ]
mass: 6.941000
- symbol: Li # 28
coordinates: [ 0.4341281600000000, 0.6079807400000000, 0.9426369100000001 ]
mass: 6.941000
- symbol: Li # 29
coordinates: [ 0.6458151700000000, 0.3221286400000000, 0.8070109100000000 ]
mass: 6.941000
- symbol: Li # 30
coordinates: [ 0.1080770600000000, 0.8888074200000000, 0.9639771700000000 ]
mass: 6.941000
- symbol: Li # 31
coordinates: [ 0.3919229400000000, 0.6111925800000000, 0.5360228300000000 ]
mass: 6.941000
- symbol: Li # 32
coordinates: [ 0.1831577600000000, 0.6442515599999999, 0.6927133500000000 ]
mass: 6.941000
- symbol: Li # 33
coordinates: [ 0.8168422400000001, 0.1442515600000000, 0.8072866500000000 ]
mass: 6.941000
- symbol: Li # 34
coordinates: [ 0.8541848300000000, 0.8221286400000000, 0.8070109100000000 ]
mass: 6.941000
- symbol: Li # 35
coordinates: [ 0.3541848300000000, 0.1778713600000000, 0.8070109100000000 ]
mass: 6.941000
- symbol: Li # 36
coordinates: [ 0.1346922900000000, 0.1408331700000000, 0.7804072300000000 ]
mass: 6.941000
- symbol: Li # 37
coordinates: [ 0.0658718400000000, 0.1079807400000000, 0.9426369100000001 ]
mass: 6.941000
- symbol: Li # 38
coordinates: [ 0.8919229400000001, 0.6111925800000000, 0.9639771700000000 ]
mass: 6.941000
- symbol: Li # 39
coordinates: [ 0.1126682800000000, 0.4334586300000000, 0.5543876500000000 ]
mass: 6.941000
- symbol: Li # 40
coordinates: [ 0.3919229400000000, 0.3888074200000000, 0.9639771700000000 ]
mass: 6.941000
- symbol: Li # 41
coordinates: [ 0.8919229400000001, 0.3888074200000000, 0.5360228300000000 ]
mass: 6.941000
- symbol: Li # 42
coordinates: [ 0.3168422400000000, 0.1442515600000000, 0.6927133500000000 ]
mass: 6.941000
- symbol: Li # 43
coordinates: [ 0.0658718400000000, 0.8920192600000000, 0.5573630899999999 ]
mass: 6.941000
- symbol: Li # 44
coordinates: [ 0.1346922900000000, 0.8591668300000000, 0.7195927700000000 ]
mass: 6.941000
- symbol: Li # 45
coordinates: [ 0.8873317200000000, 0.0665413700000000, 0.5543876500000000 ]
mass: 6.941000
- symbol: Li # 46
coordinates: [ 0.8653077100000000, 0.3591668300000000, 0.7804072300000000 ]
mass: 6.941000
- symbol: Li # 47
coordinates: [ 0.1831577600000000, 0.3557484400000000, 0.8072866500000000 ]
mass: 6.941000
- symbol: Li # 48
coordinates: [ 0.6126682800000000, 0.4334586300000000, 0.9456123500000000 ]
mass: 6.941000
- symbol: Li # 49
coordinates: [ 0.4341281600000000, 0.8920192600000000, 0.4426369100000000 ]
mass: 6.941000
- symbol: Li # 50
coordinates: [ 0.3168422400000000, 0.3557484400000000, 0.1927133500000000 ]
mass: 6.941000
- symbol: Li # 51
coordinates: [ 0.1080770600000000, 0.3888074200000000, 0.0360228300000000 ]
mass: 6.941000
- symbol: Li # 52
coordinates: [ 0.4341281600000000, 0.1079807400000000, 0.0573630900000000 ]
mass: 6.941000
- symbol: Li # 53
coordinates: [ 0.1831577600000000, 0.8557484400000001, 0.1927133500000000 ]
mass: 6.941000
- symbol: Li # 54
coordinates: [ 0.8541848300000000, 0.3221286400000000, 0.1929890900000000 ]
mass: 6.941000
- symbol: Li # 55
coordinates: [ 0.3873317200000000, 0.4334586300000000, 0.4456123500000000 ]
mass: 6.941000
- symbol: Li # 56
coordinates: [ 0.8873317200000000, 0.4334586300000000, 0.0543876500000000 ]
mass: 6.941000
- symbol: Li # 57
coordinates: [ 0.3541848300000000, 0.6778713600000000, 0.1929890900000000 ]
mass: 6.941000
- symbol: Li # 58
coordinates: [ 0.6080770599999999, 0.6111925800000000, 0.0360228300000000 ]
mass: 6.941000
- symbol: Li # 59
coordinates: [ 0.6126682800000000, 0.0665413700000000, 0.4456123500000000 ]
mass: 6.941000
- symbol: Li # 60
coordinates: [ 0.1831577600000000, 0.1442515600000000, 0.3072866500000000 ]
mass: 6.941000
- symbol: Li # 61
coordinates: [ 0.1346922900000000, 0.3591668300000000, 0.2804072300000000 ]
mass: 6.941000
- symbol: Li # 62
coordinates: [ 0.8873317200000000, 0.5665413700000000, 0.4456123500000000 ]
mass: 6.941000
- symbol: Li # 63
coordinates: [ 0.1080770600000000, 0.6111925800000000, 0.4639771700000000 ]
mass: 6.941000
- symbol: Li # 64
coordinates: [ 0.8168422400000001, 0.3557484400000000, 0.3072866500000000 ]
mass: 6.941000
- symbol: Li # 65
coordinates: [ 0.9341281600000000, 0.8920192600000000, 0.0573630900000000 ]
mass: 6.941000
- symbol: Li # 66
coordinates: [ 0.6458151700000000, 0.1778713600000000, 0.3070109100000000 ]
mass: 6.941000
- symbol: Li # 67
coordinates: [ 0.1126682800000000, 0.0665413700000000, 0.0543876500000000 ]
mass: 6.941000
- symbol: Li # 68
coordinates: [ 0.0658718400000000, 0.3920192600000000, 0.4426369100000000 ]
mass: 6.941000
- symbol: Li # 69
coordinates: [ 0.0658718400000000, 0.6079807400000000, 0.0573630900000000 ]
mass: 6.941000
- symbol: Li # 70
coordinates: [ 0.8653077100000000, 0.1408331700000000, 0.2804072300000000 ]
mass: 6.941000
- symbol: Li # 71
coordinates: [ 0.8653077100000000, 0.8591668300000000, 0.2195927700000000 ]
mass: 6.941000
- symbol: Li # 72
coordinates: [ 0.1346922900000000, 0.6408331700000000, 0.2195927700000000 ]
mass: 6.941000
- symbol: Li # 73
coordinates: [ 0.1458151700000000, 0.1778713600000000, 0.1929890900000000 ]
mass: 6.941000
- symbol: Li # 74
coordinates: [ 0.6458151700000000, 0.8221286400000000, 0.1929890900000000 ]
mass: 6.941000
- symbol: Li # 75
coordinates: [ 0.3653077100000000, 0.1408331700000000, 0.2195927700000000 ]
mass: 6.941000
- symbol: Li # 76
coordinates: [ 0.9341281600000000, 0.1079807400000000, 0.4426369100000000 ]
mass: 6.941000
- symbol: Li # 77
coordinates: [ 0.1458151700000000, 0.8221286400000000, 0.3070109100000000 ]
mass: 6.941000
- symbol: Li # 78
coordinates: [ 0.6080770599999999, 0.3888074200000000, 0.4639771700000000 ]
mass: 6.941000
- symbol: Li # 79
coordinates: [ 0.8919229400000001, 0.1111925800000000, 0.0360228300000000 ]
mass: 6.941000
- symbol: Li # 80
coordinates: [ 0.6831577599999999, 0.1442515600000000, 0.1927133500000000 ]
mass: 6.941000
- symbol: Li # 81
coordinates: [ 0.3168422400000000, 0.6442515599999999, 0.3072866500000000 ]
mass: 6.941000
- symbol: Li # 82
coordinates: [ 0.3541848300000000, 0.3221286400000000, 0.3070109100000000 ]
mass: 6.941000
- symbol: Li # 83
coordinates: [ 0.8541848300000000, 0.6778713600000000, 0.3070109100000000 ]
mass: 6.941000
- symbol: Li # 84
coordinates: [ 0.6346922900000000, 0.6408331700000000, 0.2804072300000000 ]
mass: 6.941000
- symbol: Li # 85
coordinates: [ 0.5658718400000000, 0.6079807400000000, 0.4426369100000000 ]
mass: 6.941000
- symbol: Li # 86
coordinates: [ 0.3919229400000000, 0.1111925800000000, 0.4639771700000000 ]
mass: 6.941000
- symbol: Li # 87
coordinates: [ 0.6126682800000000, 0.9334586300000000, 0.0543876500000000 ]
mass: 6.941000
- symbol: Li # 88
coordinates: [ 0.8919229400000001, 0.8888074200000000, 0.4639771700000000 ]
mass: 6.941000
- symbol: Li # 89
coordinates: [ 0.3919229400000000, 0.8888074200000000, 0.0360228300000000 ]
mass: 6.941000
- symbol: Li # 90
coordinates: [ 0.8168422400000001, 0.6442515599999999, 0.1927133500000000 ]
mass: 6.941000
- symbol: Li # 91
coordinates: [ 0.5658718400000000, 0.3920192600000000, 0.0573630900000000 ]
mass: 6.941000
- symbol: Li # 92
coordinates: [ 0.6346922900000000, 0.3591668300000000, 0.2195927700000000 ]
mass: 6.941000
- symbol: Li # 93
coordinates: [ 0.3873317200000000, 0.5665413700000000, 0.0543876500000000 ]
mass: 6.941000
- symbol: Li # 94
coordinates: [ 0.3653077100000000, 0.8591668300000000, 0.2804072300000000 ]
mass: 6.941000
- symbol: Li # 95
coordinates: [ 0.6831577599999999, 0.8557484400000001, 0.3072866500000000 ]
mass: 6.941000
- symbol: Li # 96
coordinates: [ 0.1126682800000000, 0.9334586300000000, 0.4456123500000000 ]
mass: 6.941000
- symbol: Br # 97
coordinates: [ 0.5309465600000000, 0.5000000000000000, 0.7500000000000000 ]
mass: 79.904000
- symbol: Br # 98
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.8862362700000000 ]
mass: 79.904000
- symbol: Br # 99
coordinates: [ 0.2711770100000000, 0.5108359300000000, 0.8725183300000000 ]
mass: 79.904000
- symbol: Br # 100
coordinates: [ 0.7500000000000000, 0.2290400100000000, 0.5000000000000000 ]
mass: 79.904000
- symbol: Br # 101
coordinates: [ 0.7288229899999999, 0.9891640700000000, 0.8725183300000000 ]
mass: 79.904000
- symbol: Br # 102
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.6373848600000001 ]
mass: 79.904000
- symbol: Br # 103
coordinates: [ 0.0309465600000000, 0.5000000000000000, 0.7500000000000000 ]
mass: 79.904000
- symbol: Br # 104
coordinates: [ 0.2288229900000000, 0.0108359300000000, 0.8725183300000000 ]
mass: 79.904000
- symbol: Br # 105
coordinates: [ 0.2500000000000000, 0.7709599900000000, 0.5000000000000000 ]
mass: 79.904000
- symbol: Br # 106
coordinates: [ 0.7711770100000001, 0.5108359300000000, 0.6274816700000000 ]
mass: 79.904000
- symbol: Br # 107
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.6373848600000001 ]
mass: 79.904000
- symbol: Br # 108
coordinates: [ 0.2500000000000000, 0.2709599900000000, 0.5000000000000000 ]
mass: 79.904000
- symbol: Br # 109
coordinates: [ 0.4690534400000000, 0.0000000000000000, 0.7500000000000000 ]
mass: 79.904000
- symbol: Br # 110
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.8862362700000000 ]
mass: 79.904000
- symbol: Br # 111
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.6137637300000000 ]
mass: 79.904000
- symbol: Br # 112
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.8626151399999999 ]
mass: 79.904000
- symbol: Br # 113
coordinates: [ 0.7500000000000000, 0.7290400100000000, 0.5000000000000000 ]
mass: 79.904000
- symbol: Br # 114
coordinates: [ 0.7288229899999999, 0.0108359300000000, 0.6274816700000000 ]
mass: 79.904000
- symbol: Br # 115
coordinates: [ 0.7711770100000001, 0.4891640700000000, 0.8725183300000000 ]
mass: 79.904000
- symbol: Br # 116
coordinates: [ 0.9690534400000000, 0.0000000000000000, 0.7500000000000000 ]
mass: 79.904000
- symbol: Br # 117
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.6137637300000000 ]
mass: 79.904000
- symbol: Br # 118
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.8626151399999999 ]
mass: 79.904000
- symbol: Br # 119
coordinates: [ 0.2288229900000000, 0.9891640700000000, 0.6274816700000000 ]
mass: 79.904000
- symbol: Br # 120
coordinates: [ 0.2711770100000000, 0.4891640700000000, 0.6274816700000000 ]
mass: 79.904000
- symbol: Br # 121
coordinates: [ 0.0309465600000000, 0.0000000000000000, 0.2500000000000000 ]
mass: 79.904000
- symbol: Br # 122
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.3862362700000000 ]
mass: 79.904000
- symbol: Br # 123
coordinates: [ 0.7711770100000001, 0.0108359300000000, 0.3725183300000000 ]
mass: 79.904000
- symbol: Br # 124
coordinates: [ 0.2500000000000000, 0.7290400100000000, 0.0000000000000000 ]
mass: 79.904000
- symbol: Br # 125
coordinates: [ 0.2288229900000000, 0.4891640700000000, 0.3725183300000000 ]
mass: 79.904000
- symbol: Br # 126
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.1373848600000000 ]
mass: 79.904000
- symbol: Br # 127
coordinates: [ 0.5309465600000000, 0.0000000000000000, 0.2500000000000000 ]
mass: 79.904000
- symbol: Br # 128
coordinates: [ 0.7288229899999999, 0.5108359300000000, 0.3725183300000000 ]
mass: 79.904000
- symbol: Br # 129
coordinates: [ 0.7500000000000000, 0.2709599900000000, 0.0000000000000000 ]
mass: 79.904000
- symbol: Br # 130
coordinates: [ 0.2711770100000000, 0.0108359300000000, 0.1274816700000000 ]
mass: 79.904000
- symbol: Br # 131
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.1373848600000000 ]
mass: 79.904000
- symbol: Br # 132
coordinates: [ 0.7500000000000000, 0.7709599900000000, 0.0000000000000000 ]
mass: 79.904000
- symbol: Br # 133
coordinates: [ 0.9690534400000000, 0.5000000000000000, 0.2500000000000000 ]
mass: 79.904000
- symbol: Br # 134
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.3862362700000000 ]
mass: 79.904000
- symbol: Br # 135
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.1137637300000000 ]
mass: 79.904000
- symbol: Br # 136
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.3626151400000000 ]
mass: 79.904000
- symbol: Br # 137
coordinates: [ 0.2500000000000000, 0.2290400100000000, 0.0000000000000000 ]
mass: 79.904000
- symbol: Br # 138
coordinates: [ 0.2288229900000000, 0.5108359300000000, 0.1274816700000000 ]
mass: 79.904000
- symbol: Br # 139
coordinates: [ 0.2711770100000000, 0.9891640700000000, 0.3725183300000000 ]
mass: 79.904000
- symbol: Br # 140
coordinates: [ 0.4690534400000000, 0.5000000000000000, 0.2500000000000000 ]
mass: 79.904000
- symbol: Br # 141
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.1137637300000000 ]
mass: 79.904000
- symbol: Br # 142
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.3626151400000000 ]
mass: 79.904000
- symbol: Br # 143
coordinates: [ 0.7288229899999999, 0.4891640700000000, 0.1274816700000000 ]
mass: 79.904000
- symbol: Br # 144
coordinates: [ 0.7711770100000001, 0.9891640700000000, 0.1274816700000000 ]
mass: 79.904000
- symbol: N # 145
coordinates: [ 0.2500000000000000, 0.2500000000000000, 0.7500000000000000 ]
mass: 14.006700
- symbol: N # 146
coordinates: [ 0.0000000000000000, 0.5000000000000000, 0.5000000000000000 ]
mass: 14.006700
- symbol: N # 147
coordinates: [ 0.5000000000000000, 0.0000000000000000, 0.5000000000000000 ]
mass: 14.006700
- symbol: N # 148
coordinates: [ 0.7500000000000000, 0.2500000000000000, 0.7500000000000000 ]
mass: 14.006700
- symbol: N # 149
coordinates: [ 0.5000000000000000, 0.5000000000000000, 0.5000000000000000 ]
mass: 14.006700
- symbol: N # 150
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.5000000000000000 ]
mass: 14.006700
- symbol: N # 151
coordinates: [ 0.7500000000000000, 0.7500000000000000, 0.7500000000000000 ]
mass: 14.006700
- symbol: N # 152
coordinates: [ 0.2500000000000000, 0.7500000000000000, 0.7500000000000000 ]
mass: 14.006700
- symbol: N # 153
coordinates: [ 0.7500000000000000, 0.7500000000000000, 0.2500000000000000 ]
mass: 14.006700
- symbol: N # 154
coordinates: [ 0.5000000000000000, 0.0000000000000000, 0.0000000000000000 ]
mass: 14.006700
- symbol: N # 155
coordinates: [ 0.0000000000000000, 0.5000000000000000, 0.0000000000000000 ]
mass: 14.006700
- symbol: N # 156
coordinates: [ 0.2500000000000000, 0.7500000000000000, 0.2500000000000000 ]
mass: 14.006700
- symbol: N # 157
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.0000000000000000 ]
mass: 14.006700
- symbol: N # 158
coordinates: [ 0.5000000000000000, 0.5000000000000000, 0.0000000000000000 ]
mass: 14.006700
- symbol: N # 159
coordinates: [ 0.2500000000000000, 0.2500000000000000, 0.2500000000000000 ]
mass: 14.006700
- symbol: N # 160
coordinates: [ 0.7500000000000000, 0.2500000000000000, 0.2500000000000000 ]
mass: 14.006700
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
- 157
- 158
- 159
- 160
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.
