Materials id 12236 / Er3Ga5O12 / Ia-3d (230)¶
- Date page updated: 2018-4-17
- Space group type: Ia-3d (230) / -I 4bd 2c 3
- Number of formula units (Z): 8
- Phonon raw data:
mp-12236-20180417.tar.lzma - Link to Materials Project: https://www.materialsproject.org/materials/mp-12236/
Phonon band structure¶
Phonon DOS¶
POSCAR.yaml¶
POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.
lattice:
- [ 12.1941537400000009, 0.0000000000000000, 0.0000000000000000 ] # a
- [ 0.0000000000000000, 12.1941537400000009, 0.0000000000000000 ] # b
- [ 0.0000000000000000, 0.0000000000000000, 12.1941537400000009 ] # c
points:
- symbol: O # 1
coordinates: [ 0.5264600600000000, 0.0574673400000000, 0.8494474000000000 ]
mass: 15.999400
- symbol: O # 2
coordinates: [ 0.3494474000000000, 0.0264600600000000, 0.5574673400000000 ]
mass: 15.999400
- symbol: O # 3
coordinates: [ 0.4425326600000000, 0.8494474000000000, 0.4735399400000000 ]
mass: 15.999400
- symbol: O # 4
coordinates: [ 0.0264600600000000, 0.4425326600000000, 0.1505526000000000 ]
mass: 15.999400
- symbol: O # 5
coordinates: [ 0.7235399400000000, 0.5994474000000000, 0.3074673400000000 ]
mass: 15.999400
- symbol: O # 6
coordinates: [ 0.1505526000000000, 0.9735399400000000, 0.0574673400000000 ]
mass: 15.999400
- symbol: O # 7
coordinates: [ 0.2764600600000000, 0.0994474000000000, 0.1925326600000000 ]
mass: 15.999400
- symbol: O # 8
coordinates: [ 0.0574673400000000, 0.8494474000000000, 0.5264600600000000 ]
mass: 15.999400
- symbol: O # 9
coordinates: [ 0.2764600600000000, 0.9005526000000000, 0.3074673400000000 ]
mass: 15.999400
- symbol: O # 10
coordinates: [ 0.1925326600000000, 0.2764600600000000, 0.0994474000000000 ]
mass: 15.999400
- symbol: O # 11
coordinates: [ 0.0994474000000000, 0.8074673400000000, 0.2235399400000000 ]
mass: 15.999400
- symbol: O # 12
coordinates: [ 0.4005526000000000, 0.1925326600000000, 0.7235399400000000 ]
mass: 15.999400
- symbol: O # 13
coordinates: [ 0.1925326600000000, 0.7235399400000000, 0.4005526000000000 ]
mass: 15.999400
- symbol: O # 14
coordinates: [ 0.0994474000000000, 0.1925326600000000, 0.2764600600000000 ]
mass: 15.999400
- symbol: O # 15
coordinates: [ 0.8074673400000000, 0.7764600600000000, 0.4005526000000000 ]
mass: 15.999400
- symbol: O # 16
coordinates: [ 0.9005526000000000, 0.3074673400000000, 0.2764600600000000 ]
mass: 15.999400
- symbol: O # 17
coordinates: [ 0.3074673400000000, 0.7235399400000000, 0.5994474000000000 ]
mass: 15.999400
- symbol: O # 18
coordinates: [ 0.9735399400000000, 0.9425326600000000, 0.3494474000000000 ]
mass: 15.999400
- symbol: O # 19
coordinates: [ 0.9735399400000000, 0.0574673400000000, 0.1505526000000000 ]
mass: 15.999400
- symbol: O # 20
coordinates: [ 0.7235399400000000, 0.0994474000000000, 0.6925326600000000 ]
mass: 15.999400
- symbol: O # 21
coordinates: [ 0.1505526000000000, 0.0264600600000000, 0.4425326600000000 ]
mass: 15.999400
- symbol: O # 22
coordinates: [ 0.9425326600000000, 0.6505526000000000, 0.5264600600000000 ]
mass: 15.999400
- symbol: O # 23
coordinates: [ 0.0574673400000000, 0.1505526000000000, 0.9735399400000000 ]
mass: 15.999400
- symbol: O # 24
coordinates: [ 0.2235399400000000, 0.9005526000000000, 0.6925326600000000 ]
mass: 15.999400
- symbol: O # 25
coordinates: [ 0.4735399400000000, 0.9425326600000000, 0.1505526000000000 ]
mass: 15.999400
- symbol: O # 26
coordinates: [ 0.6505526000000000, 0.9735399400000000, 0.4425326600000000 ]
mass: 15.999400
- symbol: O # 27
coordinates: [ 0.5574673400000000, 0.1505526000000000, 0.5264600600000000 ]
mass: 15.999400
- symbol: O # 28
coordinates: [ 0.9735399400000000, 0.5574673400000000, 0.8494474000000000 ]
mass: 15.999400
- symbol: O # 29
coordinates: [ 0.2764600600000000, 0.4005526000000000, 0.6925326600000000 ]
mass: 15.999400
- symbol: O # 30
coordinates: [ 0.8494474000000000, 0.0264600600000000, 0.9425326600000000 ]
mass: 15.999400
- symbol: O # 31
coordinates: [ 0.7235399400000000, 0.9005526000000000, 0.8074673400000000 ]
mass: 15.999400
- symbol: O # 32
coordinates: [ 0.9425326600000000, 0.1505526000000000, 0.4735399400000000 ]
mass: 15.999400
- symbol: O # 33
coordinates: [ 0.7764600600000000, 0.0994474000000000, 0.3074673400000000 ]
mass: 15.999400
- symbol: O # 34
coordinates: [ 0.9425326600000000, 0.8494474000000000, 0.0264600600000000 ]
mass: 15.999400
- symbol: O # 35
coordinates: [ 0.0574673400000000, 0.3494474000000000, 0.4735399400000000 ]
mass: 15.999400
- symbol: O # 36
coordinates: [ 0.1505526000000000, 0.5264600600000000, 0.5574673400000000 ]
mass: 15.999400
- symbol: O # 37
coordinates: [ 0.8494474000000000, 0.9735399400000000, 0.5574673400000000 ]
mass: 15.999400
- symbol: O # 38
coordinates: [ 0.0264600600000000, 0.9425326600000000, 0.8494474000000000 ]
mass: 15.999400
- symbol: O # 39
coordinates: [ 0.0264600600000000, 0.0574673400000000, 0.6505526000000000 ]
mass: 15.999400
- symbol: O # 40
coordinates: [ 0.6925326600000000, 0.2764600600000000, 0.4005526000000000 ]
mass: 15.999400
- symbol: O # 41
coordinates: [ 0.0994474000000000, 0.6925326600000000, 0.7235399400000000 ]
mass: 15.999400
- symbol: O # 42
coordinates: [ 0.1925326600000000, 0.2235399400000000, 0.5994474000000000 ]
mass: 15.999400
- symbol: O # 43
coordinates: [ 0.9005526000000000, 0.8074673400000000, 0.7235399400000000 ]
mass: 15.999400
- symbol: O # 44
coordinates: [ 0.8074673400000000, 0.2764600600000000, 0.5994474000000000 ]
mass: 15.999400
- symbol: O # 45
coordinates: [ 0.5994474000000000, 0.8074673400000000, 0.2764600600000000 ]
mass: 15.999400
- symbol: O # 46
coordinates: [ 0.9005526000000000, 0.1925326600000000, 0.7764600600000000 ]
mass: 15.999400
- symbol: O # 47
coordinates: [ 0.8074673400000000, 0.7235399400000000, 0.9005526000000000 ]
mass: 15.999400
- symbol: O # 48
coordinates: [ 0.8494474000000000, 0.4735399400000000, 0.4425326600000000 ]
mass: 15.999400
- symbol: O # 49
coordinates: [ 0.0264600600000000, 0.5574673400000000, 0.3494474000000000 ]
mass: 15.999400
- symbol: O # 50
coordinates: [ 0.8494474000000000, 0.5264600600000000, 0.0574673400000000 ]
mass: 15.999400
- symbol: O # 51
coordinates: [ 0.9425326600000000, 0.3494474000000000, 0.9735399400000000 ]
mass: 15.999400
- symbol: O # 52
coordinates: [ 0.5264600600000000, 0.9425326600000000, 0.6505526000000000 ]
mass: 15.999400
- symbol: O # 53
coordinates: [ 0.2235399400000000, 0.0994474000000000, 0.8074673400000000 ]
mass: 15.999400
- symbol: O # 54
coordinates: [ 0.6505526000000000, 0.4735399400000000, 0.5574673400000000 ]
mass: 15.999400
- symbol: O # 55
coordinates: [ 0.7764600600000000, 0.5994474000000000, 0.6925326600000000 ]
mass: 15.999400
- symbol: O # 56
coordinates: [ 0.5574673400000000, 0.3494474000000000, 0.0264600600000000 ]
mass: 15.999400
- symbol: O # 57
coordinates: [ 0.7764600600000000, 0.4005526000000000, 0.8074673400000000 ]
mass: 15.999400
- symbol: O # 58
coordinates: [ 0.6925326600000000, 0.7764600600000000, 0.5994474000000000 ]
mass: 15.999400
- symbol: O # 59
coordinates: [ 0.5994474000000000, 0.3074673400000000, 0.7235399400000000 ]
mass: 15.999400
- symbol: O # 60
coordinates: [ 0.9005526000000000, 0.6925326600000000, 0.2235399400000000 ]
mass: 15.999400
- symbol: O # 61
coordinates: [ 0.6925326600000000, 0.2235399400000000, 0.9005526000000000 ]
mass: 15.999400
- symbol: O # 62
coordinates: [ 0.5994474000000000, 0.6925326600000000, 0.7764600600000000 ]
mass: 15.999400
- symbol: O # 63
coordinates: [ 0.3074673400000000, 0.2764600600000000, 0.9005526000000000 ]
mass: 15.999400
- symbol: O # 64
coordinates: [ 0.4005526000000000, 0.8074673400000000, 0.7764600600000000 ]
mass: 15.999400
- symbol: O # 65
coordinates: [ 0.8074673400000000, 0.2235399400000000, 0.0994474000000000 ]
mass: 15.999400
- symbol: O # 66
coordinates: [ 0.4735399400000000, 0.4425326600000000, 0.8494474000000000 ]
mass: 15.999400
- symbol: O # 67
coordinates: [ 0.4735399400000000, 0.5574673400000000, 0.6505526000000000 ]
mass: 15.999400
- symbol: O # 68
coordinates: [ 0.2235399400000000, 0.5994474000000000, 0.1925326600000000 ]
mass: 15.999400
- symbol: O # 69
coordinates: [ 0.6505526000000000, 0.5264600600000000, 0.9425326600000000 ]
mass: 15.999400
- symbol: O # 70
coordinates: [ 0.4425326600000000, 0.1505526000000000, 0.0264600600000000 ]
mass: 15.999400
- symbol: O # 71
coordinates: [ 0.5574673400000000, 0.6505526000000000, 0.4735399400000000 ]
mass: 15.999400
- symbol: O # 72
coordinates: [ 0.7235399400000000, 0.4005526000000000, 0.1925326600000000 ]
mass: 15.999400
- symbol: O # 73
coordinates: [ 0.9735399400000000, 0.4425326600000000, 0.6505526000000000 ]
mass: 15.999400
- symbol: O # 74
coordinates: [ 0.1505526000000000, 0.4735399400000000, 0.9425326600000000 ]
mass: 15.999400
- symbol: O # 75
coordinates: [ 0.0574673400000000, 0.6505526000000000, 0.0264600600000000 ]
mass: 15.999400
- symbol: O # 76
coordinates: [ 0.4735399400000000, 0.0574673400000000, 0.3494474000000000 ]
mass: 15.999400
- symbol: O # 77
coordinates: [ 0.7764600600000000, 0.9005526000000000, 0.1925326600000000 ]
mass: 15.999400
- symbol: O # 78
coordinates: [ 0.3494474000000000, 0.5264600600000000, 0.4425326600000000 ]
mass: 15.999400
- symbol: O # 79
coordinates: [ 0.2235399400000000, 0.4005526000000000, 0.3074673400000000 ]
mass: 15.999400
- symbol: O # 80
coordinates: [ 0.4425326600000000, 0.6505526000000000, 0.9735399400000000 ]
mass: 15.999400
- symbol: O # 81
coordinates: [ 0.2764600600000000, 0.5994474000000000, 0.8074673400000000 ]
mass: 15.999400
- symbol: O # 82
coordinates: [ 0.4425326600000000, 0.3494474000000000, 0.5264600600000000 ]
mass: 15.999400
- symbol: O # 83
coordinates: [ 0.5574673400000000, 0.8494474000000000, 0.9735399400000000 ]
mass: 15.999400
- symbol: O # 84
coordinates: [ 0.6505526000000000, 0.0264600600000000, 0.0574673400000000 ]
mass: 15.999400
- symbol: O # 85
coordinates: [ 0.3494474000000000, 0.4735399400000000, 0.0574673400000000 ]
mass: 15.999400
- symbol: O # 86
coordinates: [ 0.5264600600000000, 0.4425326600000000, 0.3494474000000000 ]
mass: 15.999400
- symbol: O # 87
coordinates: [ 0.5264600600000000, 0.5574673400000000, 0.1505526000000000 ]
mass: 15.999400
- symbol: O # 88
coordinates: [ 0.1925326600000000, 0.7764600600000000, 0.9005526000000000 ]
mass: 15.999400
- symbol: O # 89
coordinates: [ 0.5994474000000000, 0.1925326600000000, 0.2235399400000000 ]
mass: 15.999400
- symbol: O # 90
coordinates: [ 0.6925326600000000, 0.7235399400000000, 0.0994474000000000 ]
mass: 15.999400
- symbol: O # 91
coordinates: [ 0.4005526000000000, 0.3074673400000000, 0.2235399400000000 ]
mass: 15.999400
- symbol: O # 92
coordinates: [ 0.3074673400000000, 0.7764600600000000, 0.0994474000000000 ]
mass: 15.999400
- symbol: O # 93
coordinates: [ 0.0994474000000000, 0.3074673400000000, 0.7764600600000000 ]
mass: 15.999400
- symbol: O # 94
coordinates: [ 0.4005526000000000, 0.6925326600000000, 0.2764600600000000 ]
mass: 15.999400
- symbol: O # 95
coordinates: [ 0.3074673400000000, 0.2235399400000000, 0.4005526000000000 ]
mass: 15.999400
- symbol: O # 96
coordinates: [ 0.3494474000000000, 0.9735399400000000, 0.9425326600000000 ]
mass: 15.999400
- symbol: Ga # 97
coordinates: [ 0.1250000000000000, 0.0000000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 98
coordinates: [ 0.8750000000000000, 0.0000000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 99
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.6250000000000000 ]
mass: 69.723000
- symbol: Ga # 100
coordinates: [ 0.7500000000000000, 0.3750000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 101
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.3750000000000000 ]
mass: 69.723000
- symbol: Ga # 102
coordinates: [ 0.2500000000000000, 0.1250000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 103
coordinates: [ 0.3750000000000000, 0.0000000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 104
coordinates: [ 0.2500000000000000, 0.6250000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 105
coordinates: [ 0.7500000000000000, 0.8750000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 106
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.6250000000000000 ]
mass: 69.723000
- symbol: Ga # 107
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.3750000000000000 ]
mass: 69.723000
- symbol: Ga # 108
coordinates: [ 0.6250000000000000, 0.0000000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 109
coordinates: [ 0.5000000000000000, 0.0000000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 110
coordinates: [ 0.7500000000000000, 0.2500000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 111
coordinates: [ 0.2500000000000000, 0.2500000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 112
coordinates: [ 0.2500000000000000, 0.7500000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 113
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 114
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 115
coordinates: [ 0.5000000000000000, 0.0000000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 116
coordinates: [ 0.7500000000000000, 0.7500000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 117
coordinates: [ 0.6250000000000000, 0.5000000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 118
coordinates: [ 0.3750000000000000, 0.5000000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 119
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.1250000000000000 ]
mass: 69.723000
- symbol: Ga # 120
coordinates: [ 0.2500000000000000, 0.8750000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 121
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.8750000000000000 ]
mass: 69.723000
- symbol: Ga # 122
coordinates: [ 0.7500000000000000, 0.6250000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 123
coordinates: [ 0.8750000000000000, 0.5000000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 124
coordinates: [ 0.7500000000000000, 0.1250000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 125
coordinates: [ 0.2500000000000000, 0.3750000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 126
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.1250000000000000 ]
mass: 69.723000
- symbol: Ga # 127
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.8750000000000000 ]
mass: 69.723000
- symbol: Ga # 128
coordinates: [ 0.1250000000000000, 0.5000000000000000, 0.2500000000000000 ]
mass: 69.723000
- symbol: Ga # 129
coordinates: [ 0.0000000000000000, 0.5000000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 130
coordinates: [ 0.2500000000000000, 0.7500000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 131
coordinates: [ 0.7500000000000000, 0.7500000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 132
coordinates: [ 0.7500000000000000, 0.2500000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Ga # 133
coordinates: [ 0.5000000000000000, 0.5000000000000000, 0.5000000000000000 ]
mass: 69.723000
- symbol: Ga # 134
coordinates: [ 0.5000000000000000, 0.5000000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 135
coordinates: [ 0.0000000000000000, 0.5000000000000000, 0.0000000000000000 ]
mass: 69.723000
- symbol: Ga # 136
coordinates: [ 0.2500000000000000, 0.2500000000000000, 0.7500000000000000 ]
mass: 69.723000
- symbol: Er # 137
coordinates: [ 0.8750000000000000, 0.0000000000000000, 0.7500000000000000 ]
mass: 167.259000
- symbol: Er # 138
coordinates: [ 0.7500000000000000, 0.1250000000000000, 0.5000000000000000 ]
mass: 167.259000
- symbol: Er # 139
coordinates: [ 0.7500000000000000, 0.8750000000000000, 0.0000000000000000 ]
mass: 167.259000
- symbol: Er # 140
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.6250000000000000 ]
mass: 167.259000
- symbol: Er # 141
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.8750000000000000 ]
mass: 167.259000
- symbol: Er # 142
coordinates: [ 0.1250000000000000, 0.5000000000000000, 0.7500000000000000 ]
mass: 167.259000
- symbol: Er # 143
coordinates: [ 0.1250000000000000, 0.0000000000000000, 0.2500000000000000 ]
mass: 167.259000
- symbol: Er # 144
coordinates: [ 0.2500000000000000, 0.8750000000000000, 0.5000000000000000 ]
mass: 167.259000
- symbol: Er # 145
coordinates: [ 0.2500000000000000, 0.1250000000000000, 0.0000000000000000 ]
mass: 167.259000
- symbol: Er # 146
coordinates: [ 0.0000000000000000, 0.7500000000000000, 0.3750000000000000 ]
mass: 167.259000
- symbol: Er # 147
coordinates: [ 0.0000000000000000, 0.2500000000000000, 0.1250000000000000 ]
mass: 167.259000
- symbol: Er # 148
coordinates: [ 0.8750000000000000, 0.5000000000000000, 0.2500000000000000 ]
mass: 167.259000
- symbol: Er # 149
coordinates: [ 0.3750000000000000, 0.5000000000000000, 0.2500000000000000 ]
mass: 167.259000
- symbol: Er # 150
coordinates: [ 0.2500000000000000, 0.6250000000000000, 0.0000000000000000 ]
mass: 167.259000
- symbol: Er # 151
coordinates: [ 0.2500000000000000, 0.3750000000000000, 0.5000000000000000 ]
mass: 167.259000
- symbol: Er # 152
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.1250000000000000 ]
mass: 167.259000
- symbol: Er # 153
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.3750000000000000 ]
mass: 167.259000
- symbol: Er # 154
coordinates: [ 0.6250000000000000, 0.0000000000000000, 0.2500000000000000 ]
mass: 167.259000
- symbol: Er # 155
coordinates: [ 0.6250000000000000, 0.5000000000000000, 0.7500000000000000 ]
mass: 167.259000
- symbol: Er # 156
coordinates: [ 0.7500000000000000, 0.3750000000000000, 0.0000000000000000 ]
mass: 167.259000
- symbol: Er # 157
coordinates: [ 0.7500000000000000, 0.6250000000000000, 0.5000000000000000 ]
mass: 167.259000
- symbol: Er # 158
coordinates: [ 0.5000000000000000, 0.2500000000000000, 0.8750000000000000 ]
mass: 167.259000
- symbol: Er # 159
coordinates: [ 0.5000000000000000, 0.7500000000000000, 0.6250000000000000 ]
mass: 167.259000
- symbol: Er # 160
coordinates: [ 0.3750000000000000, 0.0000000000000000, 0.7500000000000000 ]
mass: 167.259000
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.
