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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=984",
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"results": [
{
"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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],
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"volume": 177.7133588439525,
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"formula_full": "Ga1 Cu1 Sn1 Se4",
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"formula_anonymous": "ABCD4",
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{
"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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"volume": 253.87294331308004,
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"formula_full": "Sr4 In2 Pt4",
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"formula_anonymous": "AB2C2",
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"spacegroup": 15
},
{
"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,
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"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,
"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",
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"spacegroup": 164
},
{
"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,
"nelements": 2,
"elements": [
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"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-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-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": [
"Cd",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Cd-S",
"density": 6.089027762142555,
"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
"formula_reduced": "CdBiS2Br",
"formula_anonymous": "ABCD2",
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"spacegroup": 12
},
{
"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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"elements": [
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],
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"density": 5.591903339947056,
"density_atomic": 0.03939303558224147,
"volume": 50.770395589965844,
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"formula_full": "La1 S1",
"formula_reduced": "LaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.1043374999999997,
"spacegroup": 225
},
{
"id": "jvasp-52151",
"created_at": "2022-09-04T14:37:19.956393Z",
"updated_at": "2022-09-04T14:37:19.956416Z",
"structure_string": "Ce4 Cd2 Se8\n1.0\n7.730375 0.162968 -0.000000\n-2.423143 7.342589 -0.000000\n-2.653615 -3.752778 6.217734\nCe Cd Se\n4 2 8\ndirect\n0.113977 0.750000 0.863977 Ce\n0.250000 0.613978 0.363978 Ce\n0.386021 0.250000 0.636022 Ce\n0.750000 0.886022 0.136022 Ce\n0.625000 0.375000 0.250000 Cd\n0.874999 0.125000 0.749999 Cd\n0.007441 0.876248 0.510578 Se\n0.996862 0.365670 0.489422 Se\n0.492558 0.003136 0.868806 Se\n0.123752 0.134330 0.131193 Se\n0.376248 0.507441 0.010578 Se\n0.634329 0.623752 0.631193 Se\n0.503137 0.992559 0.368806 Se\n0.865669 0.496863 0.989421 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Cd",
"Se"
],
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"density": 6.6208784571395185,
"density_atomic": 0.03939445749053579,
"volume": 355.37994154033953,
"volume_molar": 15.286771651689255,
"formula_full": "Ce4 Cd2 Se8",
"formula_reduced": "Ce2CdSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.100880602380952,
"spacegroup": 122
},
{
"id": "jvasp-17432",
"created_at": "2022-09-04T14:38:14.758273Z",
"updated_at": "2022-09-04T14:38:14.758295Z",
"structure_string": "Cu2 Sn1 Hg1 Se4\n1.0\n5.390379 0.000000 -2.450882\n-1.114360 5.273934 -2.450882\n-0.002946 -0.003632 7.146662\nCu Sn Hg Se\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.399225 0.399225 0.285162 Se\n0.885937 0.885936 0.285162 Se\n0.114063 0.600775 0.714838 Se\n0.600774 0.114064 0.714838 Se\n",
"nsites": 8,
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"elements": [
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"Sn",
"Hg",
"Se"
],
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"density": 6.23281533273297,
"density_atomic": 0.03939471581122329,
"volume": 203.0729207017367,
"volume_molar": 15.286671412627205,
"formula_full": "Cu2 Sn1 Hg1 Se4",
"formula_reduced": "Cu2SnHgSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4745988333333333,
"spacegroup": 121
},
{
"id": "jvasp-100299",
"created_at": "2022-09-04T14:36:38.728720Z",
"updated_at": "2022-09-04T14:36:38.728748Z",
"structure_string": "Tb1 Bi1 Pd1\n1.0\n4.120187 0.000000 2.378791\n1.373396 3.884550 2.378791\n0.000000 0.000000 4.757583\nTb Bi Pd\n1 1 1\ndirect\n0.500001 0.500000 0.499999 Tb\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
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"elements": [
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],
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"density": 10.343839722947965,
"density_atomic": 0.03939827776501625,
"volume": 76.14546041562897,
"volume_molar": 15.28528936193086,
"formula_full": "Tb1 Bi1 Pd1",
"formula_reduced": "TbBiPd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8641594666666667,
"spacegroup": 216
},
{
"id": "jvasp-88679",
"created_at": "2022-09-04T14:35:59.218080Z",
"updated_at": "2022-09-04T14:35:59.218112Z",
"structure_string": "Au4 Cl8\n1.0\n6.443764 0.130723 2.071744\n0.581389 6.674062 0.320643\n0.035978 0.118373 7.107896\nAu Cl\n4 8\ndirect\n0.735962 0.516637 0.468667 Au\n0.264038 0.483361 0.531332 Au\n0.638002 0.234164 0.088519 Au\n0.361998 0.765835 0.911480 Au\n0.851619 0.219356 0.298989 Cl\n0.148381 0.780643 0.701010 Cl\n0.343142 0.181190 0.371985 Cl\n0.656858 0.818808 0.628014 Cl\n0.427020 0.258417 0.885503 Cl\n0.572980 0.741582 0.114496 Cl\n0.925031 0.287692 0.817321 Cl\n0.074968 0.712307 0.182679 Cl\n",
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"elements": [
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],
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"volume": 304.54458558935033,
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"formula_full": "Au4 Cl8",
"formula_reduced": "AuCl2",
"formula_anonymous": "AB2",
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"spacegroup": 2
}
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}