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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=86",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=84",
"results": [
{
"id": "jvasp-102572",
"created_at": "2022-09-04T14:36:51.787492Z",
"updated_at": "2022-09-04T14:36:51.787509Z",
"structure_string": "Ti6 Si2\n1.0\n5.624652 -0.000000 0.000000\n-2.812326 4.871092 0.000000\n-0.000000 -0.000000 4.524186\nTi Si\n6 2\ndirect\n0.171028 0.342057 0.250000 Ti\n0.657942 0.828971 0.250000 Ti\n0.171028 0.828971 0.250000 Ti\n0.828970 0.657943 0.750001 Ti\n0.342057 0.171028 0.750001 Ti\n0.828971 0.171028 0.750001 Ti\n0.666666 0.333333 0.250000 Si\n0.333332 0.666666 0.750001 Si\n",
"nsites": 8,
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"elements": [
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"volume": 123.95454092127657,
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"formula_full": "Ti6 Si2",
"formula_reduced": "Ti3Si",
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"spacegroup": 194
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{
"id": "jvasp-37041",
"created_at": "2022-09-04T14:38:07.103199Z",
"updated_at": "2022-09-04T14:38:07.103219Z",
"structure_string": "Ti3 Si1\n1.0\n3.140323 3.140323 -0.000000\n3.140323 -0.000000 -3.140323\n-0.000000 3.140323 -3.140323\nTi Si\n3 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n",
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"volume": 61.93739787042575,
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"formula_full": "Ti3 Si1",
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"spacegroup": 225
},
{
"id": "jvasp-26862",
"created_at": "2022-09-04T14:38:33.974086Z",
"updated_at": "2022-09-04T14:38:33.974115Z",
"structure_string": "Ti20 Si16\n1.0\n6.730288 0.000000 -0.000000\n0.000000 6.730288 0.000000\n-0.000000 -0.000000 12.216544\nTi Si\n20 16\ndirect\n0.995433 0.149672 0.621631 Ti\n0.829530 0.829530 0.500000 Ti\n0.670471 0.329530 0.750000 Ti\n0.170470 0.170470 0.000000 Ti\n0.655217 0.996896 0.281401 Ti\n0.344784 0.003104 0.781401 Ti\n0.996896 0.655217 0.718599 Ti\n0.496896 0.844784 0.031401 Ti\n0.503104 0.155217 0.531401 Ti\n0.844784 0.496896 0.968599 Ti\n0.329530 0.670471 0.250000 Ti\n0.003104 0.344784 0.218599 Ti\n0.850328 0.004567 0.878369 Ti\n0.149672 0.995433 0.378369 Ti\n0.004567 0.850328 0.121631 Ti\n0.504567 0.649672 0.628369 Ti\n0.495433 0.350328 0.128369 Ti\n0.649672 0.504567 0.371631 Ti\n0.350328 0.495433 0.871631 Ti\n0.155217 0.503104 0.468599 Ti\n0.705427 0.642006 0.171435 Si\n0.205427 0.857994 0.578564 Si\n0.794573 0.142006 0.078565 Si\n0.857994 0.205427 0.421435 Si\n0.142006 0.794573 0.921435 Si\n0.294573 0.357994 0.671435 Si\n0.698470 0.956569 0.686470 Si\n0.543431 0.198470 0.936470 Si\n0.956569 0.698470 0.313529 Si\n0.456569 0.801530 0.436470 Si\n0.801530 0.456569 0.563529 Si\n0.198470 0.543431 0.063529 Si\n0.043431 0.301530 0.813529 Si\n0.357994 0.294573 0.328565 Si\n0.301530 0.043431 0.186470 Si\n0.642006 0.705427 0.828564 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.221214231702037,
"density_atomic": 0.06505592251181855,
"volume": 553.3700639393742,
"volume_molar": 9.256867826147532,
"formula_full": "Ti20 Si16",
"formula_reduced": "Ti5Si4",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.083012896296297,
"spacegroup": 92
},
{
"id": "jvasp-95036",
"created_at": "2022-09-04T14:36:04.186917Z",
"updated_at": "2022-09-04T14:36:04.186944Z",
"structure_string": "Ti2 Si4\n1.0\n-3.560564 -0.000000 0.000000\n0.000000 0.000000 -3.594608\n1.780281 -6.876605 0.000000\nTi Si\n2 4\ndirect\n0.895947 0.750000 0.791895 Ti\n0.104053 0.250000 0.208106 Ti\n0.558312 0.750000 0.116625 Si\n0.441687 0.250000 0.883376 Si\n0.249839 0.750000 0.499679 Si\n0.750161 0.250000 0.500322 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 3.925786491339663,
"density_atomic": 0.06817212610601132,
"volume": 88.01251101762145,
"volume_molar": 8.833728833152787,
"formula_full": "Ti2 Si4",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8302051777777777,
"spacegroup": 63
},
{
"id": "jvasp-18243",
"created_at": "2022-09-04T14:38:08.969589Z",
"updated_at": "2022-09-04T14:38:08.969604Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.2634514982003555,
"density_atomic": 0.06760832113351949,
"volume": 59.16431487923522,
"volume_molar": 8.907395804292923,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.088028466666666,
"spacegroup": 65
},
{
"id": "jvasp-36225",
"created_at": "2022-09-04T14:36:49.032749Z",
"updated_at": "2022-09-04T14:36:49.032768Z",
"structure_string": "Ti2 Si1\n1.0\n3.067773 3.067773 0.000000\n3.067773 0.000000 -3.067773\n0.000000 3.067773 -3.067773\nTi Si\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
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"density": 3.5607254221672573,
"density_atomic": 0.05195431181860359,
"volume": 57.743041818634424,
"volume_molar": 11.591224191412763,
"formula_full": "Ti2 Si1",
"formula_reduced": "Ti2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 3.287428422222222,
"spacegroup": 216
},
{
"id": "jvasp-14968",
"created_at": "2022-09-04T14:36:15.411771Z",
"updated_at": "2022-09-04T14:36:15.411799Z",
"structure_string": "Ti2 Si4\n1.0\n4.676382 -0.000653 -1.185266\n-2.768735 3.768641 -1.185266\n-0.003973 -0.007847 4.931802\nTi Si\n2 4\ndirect\n0.875000 0.125000 0.249999 Ti\n0.125001 0.874999 0.749999 Ti\n0.538974 0.461027 0.249999 Si\n0.211027 0.788973 0.249999 Si\n0.788974 0.211027 0.749999 Si\n0.461027 0.538973 0.749999 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Si"
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"chemical_system": "Si-Ti",
"density": 3.979698899233428,
"density_atomic": 0.0691083266553077,
"volume": 86.82021820505453,
"volume_molar": 8.714059580745882,
"formula_full": "Ti2 Si4",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8391718444444445,
"spacegroup": 70
},
{
"id": "jvasp-54844",
"created_at": "2022-09-04T14:37:45.128538Z",
"updated_at": "2022-09-04T14:37:45.128547Z",
"structure_string": "Ti1 Si2\n1.0\n3.273079 0.122389 -1.067536\n-0.407191 2.810382 -0.926294\n-0.246868 -0.042245 4.796863\nTi Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.331002 0.330991 0.662006 Si\n0.668998 0.669007 0.337993 Si\n",
"nsites": 3,
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"elements": [
"Ti",
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"chemical_system": "Si-Ti",
"density": 3.9710747808296434,
"density_atomic": 0.06895856698583179,
"volume": 43.50438431553224,
"volume_molar": 8.73298420084238,
"formula_full": "Ti1 Si2",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8989318444444443,
"spacegroup": 71
},
{
"id": "jvasp-15081",
"created_at": "2022-09-04T14:35:44.213333Z",
"updated_at": "2022-09-04T14:35:44.213355Z",
"structure_string": "Th2 Si4\n1.0\n4.000534 0.000000 -1.105755\n-0.305632 3.988842 -1.105755\n0.022904 0.024726 7.872552\nTh Si\n2 4\ndirect\n0.124999 0.375000 0.750000 Th\n0.874999 0.625000 0.250001 Th\n0.541892 0.791892 0.583785 Si\n0.291892 0.041892 0.083785 Si\n0.458107 0.208108 0.416216 Si\n0.708107 0.958108 0.916216 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Si"
],
"chemical_system": "Si-Th",
"density": 7.605903169117987,
"density_atomic": 0.04767770260989097,
"volume": 125.84498982875216,
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"formula_full": "Th2 Si4",
"formula_reduced": "ThSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.674034266666667,
"spacegroup": 141
},
{
"id": "jvasp-15816",
"created_at": "2022-09-04T14:36:16.860327Z",
"updated_at": "2022-09-04T14:36:16.860352Z",
"structure_string": "Th1 Si2\n1.0\n2.084033 -3.609652 0.000000\n2.084033 3.609652 -0.000000\n-0.000000 -0.000000 4.167952\nTh Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666666 0.333332 0.500000 Si\n0.333332 0.666666 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"density": 7.6319250378029455,
"density_atomic": 0.047840821031060535,
"volume": 62.70795390514426,
"volume_molar": 12.587870839612348,
"formula_full": "Th1 Si2",
"formula_reduced": "ThSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.671924266666667,
"spacegroup": 191
},
{
"id": "jvasp-13887",
"created_at": "2022-09-04T14:36:17.045101Z",
"updated_at": "2022-09-04T14:36:17.045126Z",
"structure_string": "Th6 Si4\n1.0\n9.495840 0.000000 -0.000000\n0.000000 9.495840 -0.000000\n0.000000 0.000000 3.398004\nTh Si\n6 4\ndirect\n0.793194 0.706806 0.499999 Th\n0.293194 0.793194 0.499999 Th\n0.206806 0.293194 0.499999 Th\n0.706806 0.206806 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Th\n0.084966 0.584966 0.499999 Si\n0.584966 0.915034 0.499999 Si\n0.415034 0.084966 0.499999 Si\n0.915034 0.415034 0.499999 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Th",
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],
"chemical_system": "Si-Th",
"density": 8.154004314864261,
"density_atomic": 0.032636932817638,
"volume": 306.40134156833795,
"volume_molar": 18.4519200797737,
"formula_full": "Th6 Si4",
"formula_reduced": "Th3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.5728148,
"spacegroup": 127
},
{
"id": "jvasp-18017",
"created_at": "2022-09-04T14:38:16.619463Z",
"updated_at": "2022-09-04T14:38:16.619487Z",
"structure_string": "Th4 Si4\n1.0\n4.195734 -0.000000 0.000000\n-0.000000 5.930512 0.000000\n0.000000 0.000000 7.959194\nTh Si\n4 4\ndirect\n0.250000 0.125442 0.179938 Th\n0.749999 0.874557 0.820061 Th\n0.749999 0.625442 0.320062 Th\n0.250000 0.374557 0.679938 Th\n0.250000 0.632334 0.039623 Si\n0.749999 0.367665 0.960377 Si\n0.749999 0.132334 0.460377 Si\n0.250000 0.867665 0.539623 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"density": 8.724078228973594,
"density_atomic": 0.04039436267463537,
"volume": 198.04743707525802,
"volume_molar": 14.908369290305581,
"formula_full": "Th4 Si4",
"formula_reduced": "ThSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.8381671,
"spacegroup": 62
}
]
}