Materials id 18495 / SrLi(B3O5)3 / R3c (161)
==============================================================================
- Date page updated: 2018-4-17
- Space group type: R3c (161) / R 3 -2"c
- Number of formula units (Z): 6
- Phonon raw data: :download:`mp-18495-20180417.tar.lzma <./mp-18495-20180417.tar.lzma>`
- Link to Materials Project: `https://www.materialsproject.org/materials/mp-18495/ `_
Phonon band structure
----------------------
.. image:: mp-18495-band.png
Phonon DOS
-----------
.. image:: mp-18495-dos.png
Thermal properties at constant volume
--------------------------------------
Imaginary modes are excluded if they exist.
.. image:: mp-18495-tprops.png
POSCAR.yaml
----------------
POSCAR.yaml shows the crystal structure after the relaxation used for this phonon calculation.
::
lattice:
- [ 10.5915262000000006, 0.0000000000000000, 0.0000000000000000 ] # a
- [ -5.2957631000000003, 9.1725307699999998, 0.0000000000000000 ] # b
- [ 0.0000000000000000, 0.0000000000000000, 17.7316583200000011 ] # c
points:
- symbol: Li # 1
coordinates: [ 0.3333333300000000, 0.6666666700000000, 0.8942443700000000 ]
mass: 6.941000
- symbol: Li # 2
coordinates: [ 0.3333333300000000, 0.6666666700000000, 0.3942443700000000 ]
mass: 6.941000
- symbol: Li # 3
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.2275777000000000 ]
mass: 6.941000
- symbol: Li # 4
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.7275777000000000 ]
mass: 6.941000
- symbol: Li # 5
coordinates: [ 0.6666666700000000, 0.3333333300000000, 0.5609110300000000 ]
mass: 6.941000
- symbol: Li # 6
coordinates: [ 0.6666666700000000, 0.3333333300000000, 0.0609110300000000 ]
mass: 6.941000
- symbol: B # 7
coordinates: [ 0.4594373500000000, 0.3949074300000000, 0.1668543300000000 ]
mass: 10.811000
- symbol: B # 8
coordinates: [ 0.4395434800000000, 0.9973857100000000, 0.2735480600000000 ]
mass: 10.811000
- symbol: B # 9
coordinates: [ 0.2245089100000000, 0.3307190400000000, 0.1068814000000000 ]
mass: 10.811000
- symbol: B # 10
coordinates: [ 0.1062101500000000, 0.7754910900000000, 0.1068814000000000 ]
mass: 10.811000
- symbol: B # 11
coordinates: [ 0.2717592400000000, 0.8738959800000000, 0.0001876600000000 ]
mass: 10.811000
- symbol: B # 12
coordinates: [ 0.6021367399999999, 0.7282407600000000, 0.0001876600000000 ]
mass: 10.811000
- symbol: B # 13
coordinates: [ 0.1261040200000000, 0.3978632600000000, 0.0001876600000000 ]
mass: 10.811000
- symbol: B # 14
coordinates: [ 0.0026142900000000, 0.4421577600000000, 0.2735480600000000 ]
mass: 10.811000
- symbol: B # 15
coordinates: [ 0.6050925700000001, 0.0645299200000000, 0.1668543300000000 ]
mass: 10.811000
- symbol: B # 16
coordinates: [ 0.9354700800000000, 0.5405626500000000, 0.1668543300000000 ]
mass: 10.811000
- symbol: B # 17
coordinates: [ 0.0634821800000000, 0.2721692900000000, 0.2136763400000000 ]
mass: 10.811000
- symbol: B # 18
coordinates: [ 0.2086871100000000, 0.9365178199999999, 0.2136763400000000 ]
mass: 10.811000
- symbol: B # 19
coordinates: [ 0.7278307100000000, 0.7913128900000000, 0.2136763400000000 ]
mass: 10.811000
- symbol: B # 20
coordinates: [ 0.3968155200000000, 0.4579795600000000, 0.3803430100000000 ]
mass: 10.811000
- symbol: B # 21
coordinates: [ 0.0611640400000000, 0.6031844800000000, 0.3803430100000000 ]
mass: 10.811000
- symbol: B # 22
coordinates: [ 0.5420204400000000, 0.9388359600000000, 0.3803430100000000 ]
mass: 10.811000
- symbol: B # 23
coordinates: [ 0.5578422400000000, 0.5604565200000000, 0.2735480600000000 ]
mass: 10.811000
- symbol: B # 24
coordinates: [ 0.6692809600000000, 0.8937898500000000, 0.1068814000000000 ]
mass: 10.811000
- symbol: B # 25
coordinates: [ 0.1261040200000000, 0.7282407600000000, 0.5001876600000000 ]
mass: 10.811000
- symbol: B # 26
coordinates: [ 0.1062101500000000, 0.3307190400000000, 0.6068814000000000 ]
mass: 10.811000
- symbol: B # 27
coordinates: [ 0.8911755700000000, 0.6640523699999999, 0.4402147300000000 ]
mass: 10.811000
- symbol: B # 28
coordinates: [ 0.7728768100000000, 0.1088244300000000, 0.4402147300000000 ]
mass: 10.811000
- symbol: B # 29
coordinates: [ 0.9384259000000000, 0.2072293100000000, 0.3335209900000000 ]
mass: 10.811000
- symbol: B # 30
coordinates: [ 0.2688034100000000, 0.0615741000000000, 0.3335209900000000 ]
mass: 10.811000
- symbol: B # 31
coordinates: [ 0.7927706900000000, 0.7311965900000000, 0.3335209900000000 ]
mass: 10.811000
- symbol: B # 32
coordinates: [ 0.6692809600000000, 0.7754910900000000, 0.6068814000000000 ]
mass: 10.811000
- symbol: B # 33
coordinates: [ 0.2717592400000000, 0.3978632600000000, 0.5001876600000000 ]
mass: 10.811000
- symbol: B # 34
coordinates: [ 0.6021367399999999, 0.8738959800000000, 0.5001876600000000 ]
mass: 10.811000
- symbol: B # 35
coordinates: [ 0.7301488500000000, 0.6055026300000000, 0.5470096800000001 ]
mass: 10.811000
- symbol: B # 36
coordinates: [ 0.8753537800000000, 0.2698511500000000, 0.5470096800000001 ]
mass: 10.811000
- symbol: B # 37
coordinates: [ 0.3944973700000000, 0.1246462200000000, 0.5470096800000001 ]
mass: 10.811000
- symbol: B # 38
coordinates: [ 0.0634821800000000, 0.7913128900000000, 0.7136763400000000 ]
mass: 10.811000
- symbol: B # 39
coordinates: [ 0.7278307100000000, 0.9365178199999999, 0.7136763400000000 ]
mass: 10.811000
- symbol: B # 40
coordinates: [ 0.2086871100000000, 0.2721692900000000, 0.7136763400000000 ]
mass: 10.811000
- symbol: B # 41
coordinates: [ 0.2245089100000000, 0.8937898500000000, 0.6068814000000000 ]
mass: 10.811000
- symbol: B # 42
coordinates: [ 0.3359476300000000, 0.2271231900000000, 0.4402147300000000 ]
mass: 10.811000
- symbol: B # 43
coordinates: [ 0.7927706900000000, 0.0615741000000000, 0.8335209900000000 ]
mass: 10.811000
- symbol: B # 44
coordinates: [ 0.7728768100000000, 0.6640523699999999, 0.9402147300000000 ]
mass: 10.811000
- symbol: B # 45
coordinates: [ 0.5578422400000000, 0.9973857100000000, 0.7735480600000000 ]
mass: 10.811000
- symbol: B # 46
coordinates: [ 0.4395434800000000, 0.4421577600000000, 0.7735480600000000 ]
mass: 10.811000
- symbol: B # 47
coordinates: [ 0.6050925700000001, 0.5405626500000000, 0.6668543300000001 ]
mass: 10.811000
- symbol: B # 48
coordinates: [ 0.9354700800000000, 0.3949074300000000, 0.6668543300000001 ]
mass: 10.811000
- symbol: B # 49
coordinates: [ 0.4594373500000000, 0.0645299200000000, 0.6668543300000001 ]
mass: 10.811000
- symbol: B # 50
coordinates: [ 0.3359476300000000, 0.1088244300000000, 0.9402147300000000 ]
mass: 10.811000
- symbol: B # 51
coordinates: [ 0.9384259000000000, 0.7311965900000000, 0.8335209900000000 ]
mass: 10.811000
- symbol: B # 52
coordinates: [ 0.2688034100000000, 0.2072293100000000, 0.8335209900000000 ]
mass: 10.811000
- symbol: B # 53
coordinates: [ 0.3968155200000000, 0.9388359600000000, 0.8803430100000000 ]
mass: 10.811000
- symbol: B # 54
coordinates: [ 0.5420204400000000, 0.6031844800000000, 0.8803430100000000 ]
mass: 10.811000
- symbol: B # 55
coordinates: [ 0.0611640400000000, 0.4579795600000000, 0.8803430100000000 ]
mass: 10.811000
- symbol: B # 56
coordinates: [ 0.7301488500000000, 0.1246462200000000, 0.0470096800000000 ]
mass: 10.811000
- symbol: B # 57
coordinates: [ 0.3944973700000000, 0.2698511500000000, 0.0470096800000000 ]
mass: 10.811000
- symbol: B # 58
coordinates: [ 0.8753537800000000, 0.6055026300000000, 0.0470096800000000 ]
mass: 10.811000
- symbol: B # 59
coordinates: [ 0.8911755700000000, 0.2271231900000000, 0.9402147300000000 ]
mass: 10.811000
- symbol: B # 60
coordinates: [ 0.0026142900000000, 0.5604565200000000, 0.7735480600000000 ]
mass: 10.811000
- symbol: O # 61
coordinates: [ 0.5389104400000000, 0.4307583600000000, 0.2314946500000000 ]
mass: 15.999400
- symbol: O # 62
coordinates: [ 0.8918479300000000, 0.4610895600000000, 0.2314946500000000 ]
mass: 15.999400
- symbol: O # 63
coordinates: [ 0.0738315700000000, 0.6546638700000000, 0.1587845600000000 ]
mass: 15.999400
- symbol: O # 64
coordinates: [ 0.3453361300000000, 0.4191677100000000, 0.1587845600000000 ]
mass: 15.999400
- symbol: O # 65
coordinates: [ 0.5692416400000000, 0.1081520700000000, 0.2314946500000000 ]
mass: 15.999400
- symbol: O # 66
coordinates: [ 0.0120028000000000, 0.2595017700000000, 0.9921178899999999 ]
mass: 15.999400
- symbol: O # 67
coordinates: [ 0.7404982300000000, 0.7525010500000000, 0.9921178899999999 ]
mass: 15.999400
- symbol: O # 68
coordinates: [ 0.2474989500000000, 0.9879972000000000, 0.9921178899999999 ]
mass: 15.999400
- symbol: O # 69
coordinates: [ 0.1223789400000000, 0.8996179900000000, 0.1517109600000000 ]
mass: 15.999400
- symbol: O # 70
coordinates: [ 0.1003820100000000, 0.2227609400000000, 0.1517109600000000 ]
mass: 15.999400
- symbol: O # 71
coordinates: [ 0.7772390600000000, 0.8776210600000000, 0.1517109600000000 ]
mass: 15.999400
- symbol: O # 72
coordinates: [ 0.4337153400000000, 0.5442877300000000, 0.3183776300000000 ]
mass: 15.999400
- symbol: O # 73
coordinates: [ 0.4557122700000000, 0.8894276100000000, 0.3183776300000000 ]
mass: 15.999400
- symbol: O # 74
coordinates: [ 0.1105723900000000, 0.5662846600000000, 0.3183776300000000 ]
mass: 15.999400
- symbol: O # 75
coordinates: [ 0.2055771000000000, 0.4414854000000000, 0.0648279800000000 ]
mass: 15.999400
- symbol: O # 76
coordinates: [ 0.2359083000000000, 0.7944229000000000, 0.0648279800000000 ]
mass: 15.999400
- symbol: O # 77
coordinates: [ 0.0868424800000000, 0.4099934400000000, 0.2195568900000000 ]
mass: 15.999400
- symbol: O # 78
coordinates: [ 0.3231509600000000, 0.9131575199999999, 0.2195568900000000 ]
mass: 15.999400
- symbol: O # 79
coordinates: [ 0.5900065600000000, 0.6768490400000000, 0.2195568900000000 ]
mass: 15.999400
- symbol: O # 80
coordinates: [ 0.7535091500000000, 0.0101823700000000, 0.0528902200000000 ]
mass: 15.999400
- symbol: O # 81
coordinates: [ 0.2566732300000000, 0.2464908500000000, 0.0528902200000000 ]
mass: 15.999400
- symbol: O # 82
coordinates: [ 0.9898176300000000, 0.7433267700000000, 0.0528902200000000 ]
mass: 15.999400
- symbol: O # 83
coordinates: [ 0.3337626600000000, 0.8387818400000000, 0.9398385100000000 ]
mass: 15.999400
- symbol: O # 84
coordinates: [ 0.5050191800000000, 0.6662373400000000, 0.9398385100000000 ]
mass: 15.999400
- symbol: O # 85
coordinates: [ 0.1612181600000000, 0.4949808200000000, 0.9398385100000000 ]
mass: 15.999400
- symbol: O # 86
coordinates: [ 0.3337626600000000, 0.4949808200000000, 0.4398385100000000 ]
mass: 15.999400
- symbol: O # 87
coordinates: [ 0.1612181600000000, 0.6662373400000000, 0.4398385100000000 ]
mass: 15.999400
- symbol: O # 88
coordinates: [ 0.5050191800000000, 0.8387818400000000, 0.4398385100000000 ]
mass: 15.999400
- symbol: O # 89
coordinates: [ 0.5808322900000000, 0.9261684300000000, 0.1587845600000000 ]
mass: 15.999400
- symbol: O # 90
coordinates: [ 0.5585146000000000, 0.7640917000000000, 0.0648279800000000 ]
mass: 15.999400
- symbol: O # 91
coordinates: [ 0.2055771000000000, 0.7640917000000000, 0.5648279800000000 ]
mass: 15.999400
- symbol: O # 92
coordinates: [ 0.5585146000000000, 0.7944229000000000, 0.5648279800000000 ]
mass: 15.999400
- symbol: O # 93
coordinates: [ 0.7404982300000000, 0.9879972000000000, 0.4921178900000000 ]
mass: 15.999400
- symbol: O # 94
coordinates: [ 0.0120028000000000, 0.7525010500000000, 0.4921178900000000 ]
mass: 15.999400
- symbol: O # 95
coordinates: [ 0.2359083000000000, 0.4414854000000000, 0.5648279800000000 ]
mass: 15.999400
- symbol: O # 96
coordinates: [ 0.6786694599999999, 0.5928350999999999, 0.3254512200000000 ]
mass: 15.999400
- symbol: O # 97
coordinates: [ 0.4071649000000000, 0.0858343800000000, 0.3254512200000000 ]
mass: 15.999400
- symbol: O # 98
coordinates: [ 0.9141656200000000, 0.3213305400000000, 0.3254512200000000 ]
mass: 15.999400
- symbol: O # 99
coordinates: [ 0.7890456100000000, 0.2329513200000000, 0.4850443000000000 ]
mass: 15.999400
- symbol: O # 100
coordinates: [ 0.7670486800000000, 0.5560942700000000, 0.4850443000000000 ]
mass: 15.999400
- symbol: O # 101
coordinates: [ 0.4439057300000000, 0.2109543900000000, 0.4850443000000000 ]
mass: 15.999400
- symbol: O # 102
coordinates: [ 0.1003820100000000, 0.8776210600000000, 0.6517109600000000 ]
mass: 15.999400
- symbol: O # 103
coordinates: [ 0.1223789400000000, 0.2227609400000000, 0.6517109600000000 ]
mass: 15.999400
- symbol: O # 104
coordinates: [ 0.7772390600000000, 0.8996179900000000, 0.6517109600000000 ]
mass: 15.999400
- symbol: O # 105
coordinates: [ 0.8722437700000000, 0.7748187400000000, 0.3981613200000000 ]
mass: 15.999400
- symbol: O # 106
coordinates: [ 0.9025749700000000, 0.1277562300000000, 0.3981613200000000 ]
mass: 15.999400
- symbol: O # 107
coordinates: [ 0.7535091500000000, 0.7433267700000000, 0.5528902200000000 ]
mass: 15.999400
- symbol: O # 108
coordinates: [ 0.9898176300000000, 0.2464908500000000, 0.5528902200000000 ]
mass: 15.999400
- symbol: O # 109
coordinates: [ 0.2566732300000000, 0.0101823700000000, 0.5528902200000000 ]
mass: 15.999400
- symbol: O # 110
coordinates: [ 0.4201758200000000, 0.3435157100000000, 0.3862235600000000 ]
mass: 15.999400
- symbol: O # 111
coordinates: [ 0.9233399000000000, 0.5798241800000000, 0.3862235600000000 ]
mass: 15.999400
- symbol: O # 112
coordinates: [ 0.6564842900000000, 0.0766601000000000, 0.3862235600000000 ]
mass: 15.999400
- symbol: O # 113
coordinates: [ 0.0004293300000000, 0.1721151700000000, 0.2731718400000000 ]
mass: 15.999400
- symbol: O # 114
coordinates: [ 0.1716858400000000, 0.9995706700000000, 0.2731718400000000 ]
mass: 15.999400
- symbol: O # 115
coordinates: [ 0.8278848300000000, 0.8283141600000000, 0.2731718400000000 ]
mass: 15.999400
- symbol: O # 116
coordinates: [ 0.0004293300000000, 0.8283141600000000, 0.7731718400000001 ]
mass: 15.999400
- symbol: O # 117
coordinates: [ 0.8278848300000000, 0.9995706700000000, 0.7731718400000001 ]
mass: 15.999400
- symbol: O # 118
coordinates: [ 0.1716858400000000, 0.1721151700000000, 0.7731718400000001 ]
mass: 15.999400
- symbol: O # 119
coordinates: [ 0.2474989500000000, 0.2595017700000000, 0.4921178900000000 ]
mass: 15.999400
- symbol: O # 120
coordinates: [ 0.2251812600000000, 0.0974250300000000, 0.3981613200000000 ]
mass: 15.999400
- symbol: O # 121
coordinates: [ 0.8722437700000000, 0.0974250300000000, 0.8981613200000000 ]
mass: 15.999400
- symbol: O # 122
coordinates: [ 0.2251812600000000, 0.1277562300000000, 0.8981613200000000 ]
mass: 15.999400
- symbol: O # 123
coordinates: [ 0.4071649000000000, 0.3213305400000000, 0.8254512200000000 ]
mass: 15.999400
- symbol: O # 124
coordinates: [ 0.6786694599999999, 0.0858343800000000, 0.8254512200000000 ]
mass: 15.999400
- symbol: O # 125
coordinates: [ 0.9025749700000000, 0.7748187400000000, 0.8981613200000000 ]
mass: 15.999400
- symbol: O # 126
coordinates: [ 0.3453361300000000, 0.9261684300000000, 0.6587845600000000 ]
mass: 15.999400
- symbol: O # 127
coordinates: [ 0.0738315700000000, 0.4191677100000000, 0.6587845600000000 ]
mass: 15.999400
- symbol: O # 128
coordinates: [ 0.5808322900000000, 0.6546638700000000, 0.6587845600000000 ]
mass: 15.999400
- symbol: O # 129
coordinates: [ 0.4557122700000000, 0.5662846600000000, 0.8183776300000000 ]
mass: 15.999400
- symbol: O # 130
coordinates: [ 0.4337153400000000, 0.8894276100000000, 0.8183776300000000 ]
mass: 15.999400
- symbol: O # 131
coordinates: [ 0.1105723900000000, 0.5442877300000000, 0.8183776300000000 ]
mass: 15.999400
- symbol: O # 132
coordinates: [ 0.7670486800000000, 0.2109543900000000, 0.9850443000000000 ]
mass: 15.999400
- symbol: O # 133
coordinates: [ 0.7890456100000000, 0.5560942700000000, 0.9850443000000000 ]
mass: 15.999400
- symbol: O # 134
coordinates: [ 0.4439057300000000, 0.2329513200000000, 0.9850443000000000 ]
mass: 15.999400
- symbol: O # 135
coordinates: [ 0.5389104400000000, 0.1081520700000000, 0.7314946500000000 ]
mass: 15.999400
- symbol: O # 136
coordinates: [ 0.5692416400000000, 0.4610895600000000, 0.7314946500000000 ]
mass: 15.999400
- symbol: O # 137
coordinates: [ 0.4201758200000000, 0.0766601000000000, 0.8862235600000000 ]
mass: 15.999400
- symbol: O # 138
coordinates: [ 0.6564842900000000, 0.5798241800000000, 0.8862235600000000 ]
mass: 15.999400
- symbol: O # 139
coordinates: [ 0.9233399000000000, 0.3435157100000000, 0.8862235600000000 ]
mass: 15.999400
- symbol: O # 140
coordinates: [ 0.0868424800000000, 0.6768490400000000, 0.7195568900000000 ]
mass: 15.999400
- symbol: O # 141
coordinates: [ 0.5900065600000000, 0.9131575199999999, 0.7195568900000000 ]
mass: 15.999400
- symbol: O # 142
coordinates: [ 0.3231509600000000, 0.4099934400000000, 0.7195568900000000 ]
mass: 15.999400
- symbol: O # 143
coordinates: [ 0.6670959900000000, 0.5054485000000000, 0.6065051800000000 ]
mass: 15.999400
- symbol: O # 144
coordinates: [ 0.8383525100000000, 0.3329040100000000, 0.6065051800000000 ]
mass: 15.999400
- symbol: O # 145
coordinates: [ 0.4945515000000000, 0.1616474900000000, 0.6065051800000000 ]
mass: 15.999400
- symbol: O # 146
coordinates: [ 0.6670959900000000, 0.1616474900000000, 0.1065051800000000 ]
mass: 15.999400
- symbol: O # 147
coordinates: [ 0.4945515000000000, 0.3329040100000000, 0.1065051800000000 ]
mass: 15.999400
- symbol: O # 148
coordinates: [ 0.8383525100000000, 0.5054485000000000, 0.1065051800000000 ]
mass: 15.999400
- symbol: O # 149
coordinates: [ 0.9141656200000000, 0.5928350999999999, 0.8254512200000000 ]
mass: 15.999400
- symbol: O # 150
coordinates: [ 0.8918479300000000, 0.4307583600000000, 0.7314946500000000 ]
mass: 15.999400
- symbol: Sr # 151
coordinates: [ 0.3333333300000000, 0.6666666700000000, 0.1617959200000000 ]
mass: 87.620000
- symbol: Sr # 152
coordinates: [ 0.3333333300000000, 0.6666666700000000, 0.6617959200000000 ]
mass: 87.620000
- symbol: Sr # 153
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.4951292500000000 ]
mass: 87.620000
- symbol: Sr # 154
coordinates: [ 0.0000000000000000, 0.0000000000000000, 0.9951292500000000 ]
mass: 87.620000
- symbol: Sr # 155
coordinates: [ 0.6666666700000000, 0.3333333300000000, 0.8284625799999999 ]
mass: 87.620000
- symbol: Sr # 156
coordinates: [ 0.6666666700000000, 0.3333333300000000, 0.3284625800000000 ]
mass: 87.620000
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 Materials Project: https://www.materialsproject.org/
.. _the Materials Project citation: https://materialsproject.org/citing
.. _SeeK-path: http://materialscloud.org/tools/seekpath
..
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
:ref:`crystal_structure_and_citation`.
License
--------------
The contents of this web page are licensed under a `Creative Commons
4.0 Attribution International License
`_.
.. image :: https://i.creativecommons.org/l/by/4.0/88x31.png
:target: http://creativecommons.org/licenses/by/4.0/
:alt: license