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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=976",
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"results": [
{
"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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"density": 3.9710747808296434,
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"volume": 43.50438431553224,
"volume_molar": 8.73298420084238,
"formula_full": "Ti1 Si2",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
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"spacegroup": 71
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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",
"formula_reduced": "Ti3Si",
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"spacegroup": 225
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{
"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,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.599946695601618,
"density_atomic": 0.06453978967241542,
"volume": 123.95454092127657,
"volume_molar": 9.330896165863845,
"formula_full": "Ti6 Si2",
"formula_reduced": "Ti3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 3.5396834000000004,
"spacegroup": 194
},
{
"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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],
"chemical_system": "Si-Ti",
"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-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-79554",
"created_at": "2022-09-04T14:38:01.731367Z",
"updated_at": "2022-09-04T14:38:01.731385Z",
"structure_string": "Ti2 Si2\n1.0\n3.642692 0.000000 -0.000000\n1.821345 -3.830014 2.120398\n1.821345 -3.830014 -2.120398\nTi Si\n2 2\ndirect\n0.000002 0.050772 0.949227 Ti\n0.500002 0.550773 0.449226 Ti\n0.749994 0.800735 0.699281 Si\n0.250009 0.300718 0.199264 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.263349842434278,
"density_atomic": 0.06760670911197288,
"volume": 59.16572559943783,
"volume_molar": 8.90760819318375,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.087988466666666,
"spacegroup": 65
},
{
"id": "jvasp-20396",
"created_at": "2022-09-04T14:37:35.787366Z",
"updated_at": "2022-09-04T14:37:35.787384Z",
"structure_string": "Ti10 Si6\n1.0\n3.742549 -6.482286 -0.000000\n3.742549 6.482286 0.000000\n0.000000 -0.000000 5.137324\nTi Si\n10 6\ndirect\n0.333333 0.666667 0.000000 Ti\n0.666667 0.333333 0.500000 Ti\n0.666667 0.333333 0.000000 Ti\n0.333333 0.666667 0.500000 Ti\n-0.000000 0.249342 0.250000 Ti\n0.750659 -0.000000 0.749999 Ti\n0.249341 0.249341 0.749999 Ti\n0.750659 0.750659 0.250000 Ti\n0.249342 -0.000000 0.250000 Ti\n-0.000000 0.750659 0.749999 Ti\n-0.000000 0.609145 0.250000 Si\n0.390855 -0.000000 0.749999 Si\n0.609145 0.609145 0.749999 Si\n0.390855 0.390855 0.250000 Si\n0.609145 -0.000000 0.250000 Si\n-0.000000 0.390855 0.749999 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.31135279783062,
"density_atomic": 0.06418851774172873,
"volume": 249.26576532547742,
"volume_molar": 9.381959533994701,
"formula_full": "Ti10 Si6",
"formula_reduced": "Ti5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 4.0667884333333335,
"spacegroup": 193
},
{
"id": "jvasp-15734",
"created_at": "2022-09-04T14:35:54.083828Z",
"updated_at": "2022-09-04T14:35:54.083855Z",
"structure_string": "Ti4 Si4\n1.0\n3.651049 -0.000000 0.000000\n-0.000000 5.025329 0.000000\n0.000000 0.000000 6.574247\nTi Si\n4 4\ndirect\n0.250000 0.371517 0.675953 Ti\n0.750000 0.628483 0.324047 Ti\n0.750000 0.871517 0.824047 Ti\n0.250000 0.128483 0.175953 Ti\n0.250000 0.852788 0.545182 Si\n0.750000 0.147213 0.454818 Si\n0.750000 0.352788 0.954818 Si\n0.250000 0.647213 0.045182 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
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"density": 4.182375137124281,
"density_atomic": 0.06632264058613149,
"volume": 120.62245907731324,
"volume_molar": 9.080067842261501,
"formula_full": "Ti4 Si4",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.970268466666666,
"spacegroup": 62
},
{
"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-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,
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"elements": [
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],
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"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-18792",
"created_at": "2022-09-04T14:36:21.510852Z",
"updated_at": "2022-09-04T14:36:21.510873Z",
"structure_string": "Ti4 Sn2\n1.0\n2.372943 -4.110058 -0.000000\n2.372943 4.110058 -0.000000\n0.000000 0.000000 5.618725\nTi Sn\n4 2\ndirect\n0.666667 0.333332 0.750001 Ti\n0.333332 0.666667 0.250000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.666667 0.333332 0.250000 Sn\n0.333332 0.666667 0.750001 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Sn-Ti",
"density": 6.498153460104931,
"density_atomic": 0.054745474105626274,
"volume": 109.59810099413079,
"volume_molar": 11.000253186922528,
"formula_full": "Ti4 Sn2",
"formula_reduced": "Ti2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 2.282119455555556,
"spacegroup": 194
},
{
"id": "jvasp-98869",
"created_at": "2022-09-04T14:36:16.944531Z",
"updated_at": "2022-09-04T14:36:16.944558Z",
"structure_string": "Ti8 Sn12\n1.0\n5.743740 -0.000027 -1.713446\n0.000060 7.047057 0.000127\n0.000070 0.000169 10.483863\nTi Sn\n8 12\ndirect\n0.081397 0.454264 0.161621 Ti\n0.587235 0.250368 0.673317 Ti\n0.913857 0.750340 0.326431 Ti\n0.413873 0.750386 0.326437 Ti\n0.581394 0.046472 0.161614 Ti\n0.087240 0.250370 0.673324 Ti\n0.919687 0.546473 0.838136 Ti\n0.419684 0.954265 0.838144 Ti\n0.270693 0.750340 0.040127 Sn\n0.776230 0.572931 0.551257 Sn\n0.730366 0.250411 0.959624 Sn\n0.379287 0.574368 0.757421 Sn\n0.121785 0.074359 0.242330 Sn\n0.879299 0.926386 0.757426 Sn\n0.276219 0.927783 0.551247 Sn\n0.724886 0.072922 0.448505 Sn\n0.230381 0.250355 0.959630 Sn\n0.224885 0.427791 0.448507 Sn\n0.770688 0.750391 0.040124 Sn\n0.621790 0.426367 0.242343 Sn\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Sn-Ti",
"density": 7.072811315361236,
"density_atomic": 0.04713084614479745,
"volume": 424.35053974110974,
"volume_molar": 12.777493409514683,
"formula_full": "Ti8 Sn12",
"formula_reduced": "Ti2Sn3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.836508353333334,
"spacegroup": 64
}
]
}