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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=3662",
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"results": [
{
"id": "jvasp-14511",
"created_at": "2022-09-04T14:38:09.519811Z",
"updated_at": "2022-09-04T14:38:09.519832Z",
"structure_string": "La1 S1\n1.0\n3.599475 -0.000000 2.078157\n1.199825 3.393617 2.078157\n0.000000 0.000000 4.156316\nLa S\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500001 0.500000 0.500000 S\n",
"nsites": 2,
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"S"
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"density_atomic": 0.03939303558224147,
"volume": 50.770395589965844,
"volume_molar": 15.287323434182877,
"formula_full": "La1 S1",
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"spacegroup": 225
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{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
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"elements": [
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"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Cd-S",
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"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
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{
"id": "jvasp-15312",
"created_at": "2022-09-04T14:36:17.659543Z",
"updated_at": "2022-09-04T14:36:17.659572Z",
"structure_string": "Tb2 Zr2 Sb2\n1.0\n4.146184 0.000000 -1.041530\n-0.261635 4.137921 -1.041530\n0.023086 0.024591 8.865351\nTb Zr Sb\n2 2 2\ndirect\n0.676737 0.676736 0.353473 Tb\n0.323264 0.323263 0.646527 Tb\n0.000001 0.500000 0.000000 Zr\n0.500000 0.000000 -0.000000 Zr\n0.133352 0.133352 0.266704 Sb\n0.866649 0.866648 0.733296 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tb",
"Zr",
"Sb"
],
"chemical_system": "Sb-Tb-Zr",
"density": 8.109301873877294,
"density_atomic": 0.03939295209977696,
"volume": 152.3115095513233,
"volume_molar": 15.287355831435887,
"formula_full": "Tb2 Zr2 Sb2",
"formula_reduced": "TbZrSb",
"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-118748",
"created_at": "2022-09-04T14:38:53.633549Z",
"updated_at": "2022-09-04T14:38:53.633577Z",
"structure_string": "N2 Cl1\n1.0\n4.195051 0.000000 0.000000\n0.000000 6.897198 0.000000\n0.000000 0.000000 2.632190\nN Cl\n2 1\ndirect\n0.131981 0.939999 0.000000 N\n0.868019 0.939999 0.000000 N\n0.000000 0.440002 0.000000 Cl\n",
"nsites": 3,
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"elements": [
"N",
"Cl"
],
"chemical_system": "Cl-N",
"density": 1.3837759827417477,
"density_atomic": 0.03939073470966343,
"volume": 76.1600417487017,
"volume_molar": 15.288216389938608,
"formula_full": "N2 Cl1",
"formula_reduced": "N2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 3.1724135224999994,
"spacegroup": 47
},
{
"id": "jvasp-263",
"created_at": "2022-09-04T14:37:42.986606Z",
"updated_at": "2022-09-04T14:37:42.986627Z",
"structure_string": "Te2 Pd1\n1.0\n2.045730 -3.543308 0.000000\n2.045730 3.543308 0.000000\n0.000000 0.000000 5.253501\nTe Pd\n2 1\ndirect\n0.333333 0.666667 0.735409 Te\n0.666667 0.333333 0.264591 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Pd"
],
"chemical_system": "Pd-Te",
"density": 7.884342928731612,
"density_atomic": 0.03938993108788842,
"volume": 76.16159554344682,
"volume_molar": 15.288528295627517,
"formula_full": "Te2 Pd1",
"formula_reduced": "Te2Pd",
"formula_anonymous": "AB2",
"energy_above_hull": 0.927967077777778,
"spacegroup": 164
},
{
"id": "jvasp-19830",
"created_at": "2022-09-04T14:36:52.787984Z",
"updated_at": "2022-09-04T14:36:52.788003Z",
"structure_string": "Te2 Pd1\n1.0\n2.045730 -3.543308 0.000000\n2.045730 3.543308 -0.000000\n0.000000 0.000000 5.253501\nTe Pd\n2 1\ndirect\n0.333333 0.666667 0.735409 Te\n0.666667 0.333333 0.264591 Te\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
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"Pd"
],
"chemical_system": "Pd-Te",
"density": 7.884342928731612,
"density_atomic": 0.03938993108788842,
"volume": 76.16159554344682,
"volume_molar": 15.288528295627517,
"formula_full": "Te2 Pd1",
"formula_reduced": "Te2Pd",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-87922",
"created_at": "2022-09-04T14:36:13.614956Z",
"updated_at": "2022-09-04T14:36:13.614983Z",
"structure_string": "Sr4 In2 Pt4\n1.0\n5.898054 0.045677 1.213688\n2.822536 5.179036 1.213688\n0.050517 0.030267 8.360393\nSr In Pt\n4 2 4\ndirect\n0.496993 0.208014 0.647162 Sr\n0.791986 0.503008 0.852838 Sr\n0.503006 0.791988 0.352838 Sr\n0.208013 0.496994 0.147162 Sr\n0.141628 0.858373 0.750000 In\n0.858371 0.141629 0.250000 In\n0.723211 0.000251 0.001705 Pt\n0.999749 0.276789 0.498296 Pt\n0.276789 0.999751 0.998295 Pt\n0.000251 0.723213 0.501704 Pt\n",
"nsites": 10,
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"elements": [
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"In",
"Pt"
],
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"density": 8.898481518954801,
"density_atomic": 0.03938978242225618,
"volume": 253.87294331308004,
"volume_molar": 15.288585997868688,
"formula_full": "Sr4 In2 Pt4",
"formula_reduced": "Sr2InPt2",
"formula_anonymous": "AB2C2",
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"spacegroup": 15
},
{
"id": "jvasp-109750",
"created_at": "2022-09-04T14:38:20.588579Z",
"updated_at": "2022-09-04T14:38:20.588604Z",
"structure_string": "Ga1 Cu1 Sn1 Se4\n1.0\n5.140667 0.028221 -4.604878\n-1.007641 5.041023 -4.604878\n-0.023009 -0.028221 6.901509\nGa Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 -0.000000 Sn\n0.653507 0.655881 0.556700 Se\n0.099181 0.096805 0.443299 Se\n0.903195 0.346493 0.002375 Se\n0.344119 0.900819 0.997625 Se\n",
"nsites": 7,
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"elements": [
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"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Ga-Se-Sn",
"density": 5.3056542197577805,
"density_atomic": 0.03938927295919604,
"volume": 177.7133588439525,
"volume_molar": 15.288783741295328,
"formula_full": "Ga1 Cu1 Sn1 Se4",
"formula_reduced": "GaCuSnSe4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7727239916666668,
"spacegroup": 82
},
{
"id": "jvasp-99705",
"created_at": "2022-09-04T14:36:16.610388Z",
"updated_at": "2022-09-04T14:36:16.610415Z",
"structure_string": "K2 Al1 Au1 Cl6\n1.0\n6.155231 -0.000000 3.553724\n2.051744 5.803208 3.553724\n0.000000 0.000000 7.107449\nK Al Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.767129 0.232871 0.232870 Cl\n0.232870 0.232871 0.767129 Cl\n0.232870 0.767130 0.767129 Cl\n0.232870 0.767130 0.232870 Cl\n0.767129 0.232871 0.767129 Cl\n0.767129 0.767130 0.232870 Cl\n",
"nsites": 10,
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"elements": [
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"Al",
"Au",
"Cl"
],
"chemical_system": "Al-Au-Cl-K",
"density": 3.3675518286318598,
"density_atomic": 0.03938889112819626,
"volume": 253.87868796442382,
"volume_molar": 15.288931948858782,
"formula_full": "K2 Al1 Au1 Cl6",
"formula_reduced": "K2AlAuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-9076",
"created_at": "2022-09-04T14:37:27.179628Z",
"updated_at": "2022-09-04T14:37:27.179650Z",
"structure_string": "Sr5 Al9\n1.0\n5.707670 0.001721 10.977701\n2.684672 5.036868 10.977701\n0.002866 0.001721 12.372850\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216635 0.216635 0.216635 Sr\n0.783365 0.783365 0.783365 Sr\n0.316633 0.316633 0.316633 Sr\n0.683367 0.683367 0.683366 Sr\n0.000000 0.000000 0.000000 Al\n0.124675 0.124675 0.124675 Al\n0.875326 0.875325 0.875325 Al\n0.237379 0.723251 0.237379 Al\n0.237379 0.237379 0.723250 Al\n0.723251 0.237379 0.237379 Al\n0.276750 0.762621 0.762621 Al\n0.762622 0.276749 0.762621 Al\n0.762621 0.762621 0.276749 Al\n",
"nsites": 14,
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"elements": [
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],
"chemical_system": "Al-Sr",
"density": 3.1812508777771975,
"density_atomic": 0.039388726117913615,
"volume": 355.43165214558525,
"volume_molar": 15.288995998429074,
"formula_full": "Sr5 Al9",
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"formula_anonymous": "A5B9",
"energy_above_hull": 1.0676461964285715,
"spacegroup": 166
},
{
"id": "jvasp-12478",
"created_at": "2022-09-04T14:38:06.590511Z",
"updated_at": "2022-09-04T14:38:06.590521Z",
"structure_string": "Sr2 Zn2 Cl8\n1.0\n6.020087 -0.000001 -2.482326\n-1.023564 5.932433 -2.482327\n-0.003062 -0.003635 8.533630\nSr Zn Cl\n2 2 8\ndirect\n0.875001 0.625000 0.750000 Sr\n0.125000 0.375000 0.250000 Sr\n0.625001 0.875000 0.250000 Zn\n0.375001 0.125001 0.750000 Zn\n0.716837 0.364858 0.914685 Cl\n0.864858 0.697849 0.414685 Cl\n0.283165 0.635143 0.085315 Cl\n0.450174 0.783165 0.585315 Cl\n0.549828 0.216836 0.414685 Cl\n0.802153 0.950173 0.085315 Cl\n0.135143 0.302152 0.585315 Cl\n0.197849 0.049828 0.914685 Cl\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Cl-Sr-Zn",
"density": 3.2140484129593583,
"density_atomic": 0.039388250532967996,
"volume": 304.6593803387127,
"volume_molar": 15.289180602117538,
"formula_full": "Sr2 Zn2 Cl8",
"formula_reduced": "SrZnCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 88
},
{
"id": "jvasp-12069",
"created_at": "2022-09-04T14:37:00.026935Z",
"updated_at": "2022-09-04T14:37:00.026960Z",
"structure_string": "Zr2 Te2 P1\n1.0\n3.790569 0.006542 9.397978\n1.829219 3.320002 9.397978\n0.011053 0.006542 10.133620\nZr Te P\n2 2 1\ndirect\n0.617933 0.617932 0.617934 Zr\n0.382067 0.382066 0.382068 Zr\n0.220717 0.220717 0.220718 Te\n0.779283 0.779281 0.779284 Te\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
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"elements": [
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],
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"volume": 126.9424919169373,
"volume_molar": 15.289311094979174,
"formula_full": "Zr2 Te2 P1",
"formula_reduced": "Zr2Te2P",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.6275780066666665,
"spacegroup": 166
}
]
}