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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4033",
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"results": [
{
"id": "jvasp-99912",
"created_at": "2022-09-04T14:36:32.586548Z",
"updated_at": "2022-09-04T14:36:32.586579Z",
"structure_string": "Ti1 Zn1 Ni2\n1.0\n3.021920 0.000000 0.000000\n0.000000 3.021920 -0.000000\n-0.000000 -0.000000 5.635127\nTi Zn Ni\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.753059 Ni\n0.000000 0.000000 0.246942 Ni\n",
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{
"id": "jvasp-36629",
"created_at": "2022-09-04T14:37:16.621847Z",
"updated_at": "2022-09-04T14:37:16.621870Z",
"structure_string": "Ti1 Zn1 O3\n1.0\n3.839824 -0.000000 0.000000\n-0.000000 3.839824 -0.000000\n0.000000 -0.000000 3.839824\nTi Zn O\n1 1 3\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Zn\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
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"O"
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"volume": 56.61531868003807,
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"formula_full": "Ti1 Zn1 O3",
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"formula_anonymous": "ABC3",
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"spacegroup": 221
},
{
"id": "jvasp-41286",
"created_at": "2022-09-04T14:37:49.618887Z",
"updated_at": "2022-09-04T14:37:49.618916Z",
"structure_string": "Ti1 Zn1 Pd2\n1.0\n0.000000 3.112410 3.112410\n3.112410 0.000000 3.112410\n3.112410 3.112410 0.000000\nTi Zn Pd\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Zn",
"Pd"
],
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"density": 8.980505901285254,
"density_atomic": 0.06633451980551706,
"volume": 60.30042897314105,
"volume_molar": 9.078441779115941,
"formula_full": "Ti1 Zn1 Pd2",
"formula_reduced": "TiZnPd2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-42884",
"created_at": "2022-09-04T14:36:04.713535Z",
"updated_at": "2022-09-04T14:36:04.713557Z",
"structure_string": "Ti1 Zn1 Pt2\n1.0\n0.000003 3.129810 3.129804\n3.129807 0.000004 3.129804\n3.129809 3.129810 0.000002\nTi Zn Pt\n1 1 2\ndirect\n0.249999 0.250000 0.250000 Ti\n0.749998 0.749999 0.750001 Zn\n0.000000 0.000000 0.000000 Pt\n0.499998 0.499999 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Pt"
],
"chemical_system": "Pt-Ti-Zn",
"density": 13.633836583102237,
"density_atomic": 0.0652345707015301,
"volume": 61.31718131941625,
"volume_molar": 9.23151742279918,
"formula_full": "Ti1 Zn1 Pt2",
"formula_reduced": "TiZnPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6827103833333332,
"spacegroup": 225
},
{
"id": "jvasp-79835",
"created_at": "2022-09-04T14:37:12.063169Z",
"updated_at": "2022-09-04T14:37:12.063191Z",
"structure_string": "Ti1 Zn1 Rh2\n1.0\n-0.000001 3.047532 3.047525\n3.047518 0.000004 3.047519\n3.047517 3.047525 0.000005\nTi Zn Rh\n1 1 2\ndirect\n0.249999 0.250001 0.250002 Ti\n0.749998 0.750004 0.749999 Zn\n0.000001 1.000003 0.999998 Rh\n0.499999 0.500004 0.499997 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Rh"
],
"chemical_system": "Rh-Ti-Zn",
"density": 9.360260796928763,
"density_atomic": 0.07066261939708562,
"volume": 56.60701562055276,
"volume_molar": 8.522385401762186,
"formula_full": "Ti1 Zn1 Rh2",
"formula_reduced": "TiZnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8130811833333336,
"spacegroup": 225
},
{
"id": "jvasp-100511",
"created_at": "2022-09-04T14:37:01.585078Z",
"updated_at": "2022-09-04T14:37:01.585098Z",
"structure_string": "Ti1 Zn2 Pd1\n1.0\n3.783806 -0.000000 2.184582\n1.261269 3.567407 2.184582\n0.000000 -0.000000 4.369163\nTi Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.249999 Zn\n0.750001 0.750001 0.749998 Zn\n0.500000 0.500000 0.499999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Pd"
],
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"density": 8.027386289224017,
"density_atomic": 0.06782350388145711,
"volume": 58.9766050275323,
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"formula_full": "Ti1 Zn2 Pd1",
"formula_reduced": "TiZn2Pd",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-9896",
"created_at": "2022-09-04T14:38:18.128703Z",
"updated_at": "2022-09-04T14:38:18.128714Z",
"structure_string": "Ti1 Zn2 W1 O6\n1.0\n5.222283 0.363922 0.223446\n2.301970 4.706805 -0.037705\n2.301774 1.827745 4.653864\nTi Zn W O\n1 2 1 6\ndirect\n0.522242 0.482193 0.493569 Ti\n0.252714 0.212661 0.302180 Zn\n0.770210 0.730144 0.749681 Zn\n0.020751 -0.019299 -0.001946 W\n0.900843 0.607776 0.241877 O\n0.142932 0.355181 0.740835 O\n0.647851 0.229731 0.241861 O\n0.781271 0.102881 0.740862 O\n0.269808 0.860771 0.241872 O\n0.395226 0.741261 0.740858 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Zn",
"W",
"O"
],
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"density": 6.963397197830743,
"density_atomic": 0.09145605441233058,
"volume": 109.34213228699868,
"volume_molar": 6.584737116308467,
"formula_full": "Ti1 Zn2 W1 O6",
"formula_reduced": "TiZn2WO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.550191013333333,
"spacegroup": 146
},
{
"id": "jvasp-18033",
"created_at": "2022-09-04T14:38:08.988252Z",
"updated_at": "2022-09-04T14:38:08.988263Z",
"structure_string": "Ti1 Zn3\n1.0\n3.921483 0.000000 -0.000000\n0.000000 3.921483 0.000000\n0.000000 0.000000 3.921483\nTi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
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"chemical_system": "Ti-Zn",
"density": 6.721329584620211,
"density_atomic": 0.06632984484161536,
"volume": 60.30467898050018,
"volume_molar": 9.079081632679634,
"formula_full": "Ti1 Zn3",
"formula_reduced": "TiZn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-119073",
"created_at": "2022-09-04T14:38:33.748177Z",
"updated_at": "2022-09-04T14:38:33.748204Z",
"structure_string": "Ti20 Cu8\n1.0\n2.900820 0.000000 0.000000\n0.000000 12.298405 0.000000\n0.000000 0.000000 12.432561\nTi Cu\n20 8\ndirect\n0.500000 0.620871 -0.009669 Ti\n-0.000000 0.610852 0.459941 Ti\n-0.000000 0.389148 0.540059 Ti\n-0.000000 0.110852 0.040059 Ti\n-0.000000 0.889148 0.959941 Ti\n-0.000000 0.803055 0.312581 Ti\n-0.000000 0.196946 0.687419 Ti\n-0.000000 0.696946 0.812581 Ti\n-0.000000 0.510360 0.149973 Ti\n-0.000000 0.489640 0.850027 Ti\n-0.000000 0.303055 0.187419 Ti\n-0.000000 0.989640 0.649973 Ti\n-0.000000 0.010360 0.350027 Ti\n0.500000 0.120871 0.509669 Ti\n0.500000 0.879129 0.490331 Ti\n0.500000 0.572481 0.648844 Ti\n0.500000 0.379129 0.009669 Ti\n0.500000 0.072480 0.851155 Ti\n0.500000 0.927520 0.148844 Ti\n0.500000 0.427520 0.351156 Ti\n0.500000 0.366689 0.725097 Cu\n-0.000000 0.759048 0.618333 Cu\n-0.000000 0.240952 0.381667 Cu\n-0.000000 0.259048 0.881667 Cu\n-0.000000 0.740953 0.118333 Cu\n0.500000 0.866689 0.774903 Cu\n0.500000 0.133312 0.225097 Cu\n0.500000 0.633312 0.274903 Cu\n",
"nsites": 28,
"nelements": 2,
"elements": [
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"Cu"
],
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"density": 5.487397046797921,
"density_atomic": 0.06312884750106225,
"volume": 443.53732260879394,
"volume_molar": 9.539443532370314,
"formula_full": "Ti20 Cu8",
"formula_reduced": "Ti5Cu2",
"formula_anonymous": "A2B5",
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"spacegroup": 55
},
{
"id": "jvasp-23724",
"created_at": "2022-09-04T14:37:34.093415Z",
"updated_at": "2022-09-04T14:37:34.093441Z",
"structure_string": "Ti20 Sb12\n1.0\n7.209585 -0.000000 0.000000\n-0.000000 8.348185 0.000000\n0.000000 0.000000 10.216298\nTi Sb\n20 12\ndirect\n0.793878 0.936337 0.053800 Ti\n0.826100 0.750000 0.782097 Ti\n0.326099 0.250000 0.717903 Ti\n0.173901 0.250000 0.217903 Ti\n0.673901 0.750000 0.282097 Ti\n0.521429 0.250000 0.995578 Ti\n0.978572 0.250000 0.495578 Ti\n0.478572 0.750000 0.004422 Ti\n0.317319 0.750000 0.735513 Ti\n0.817319 0.250000 0.764487 Ti\n0.021429 0.750000 0.504422 Ti\n0.182681 0.750000 0.235513 Ti\n0.293878 0.436336 0.446200 Ti\n0.793878 0.563664 0.053800 Ti\n0.706123 0.936337 0.553800 Ti\n0.206122 0.063664 0.946200 Ti\n0.706123 0.563664 0.553800 Ti\n0.206122 0.436336 0.946200 Ti\n0.293878 0.063664 0.446200 Ti\n0.682682 0.250000 0.264487 Ti\n0.909357 0.250000 0.025936 Sb\n0.409357 0.750000 0.474065 Sb\n0.435089 0.008867 0.179021 Sb\n0.935089 0.991133 0.320979 Sb\n0.564912 0.508868 0.820979 Sb\n0.435089 0.491133 0.179021 Sb\n0.564912 0.991133 0.820979 Sb\n0.064911 0.008867 0.679021 Sb\n0.935089 0.508868 0.320979 Sb\n0.590644 0.250000 0.525936 Sb\n0.064911 0.491133 0.679021 Sb\n0.090643 0.750000 0.974065 Sb\n",
"nsites": 32,
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"elements": [
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],
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"density": 6.531187061632465,
"density_atomic": 0.05204201394756492,
"volume": 614.8878103034539,
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"formula_full": "Ti20 Sb12",
"formula_reduced": "Ti5Sb3",
"formula_anonymous": "A3B5",
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"spacegroup": 62
},
{
"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",
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],
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"volume": 553.3700639393742,
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"formula_full": "Ti20 Si16",
"formula_reduced": "Ti5Si4",
"formula_anonymous": "A4B5",
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"spacegroup": 92
},
{
"id": "jvasp-14732",
"created_at": "2022-09-04T14:36:51.555983Z",
"updated_at": "2022-09-04T14:36:51.556006Z",
"structure_string": "Ti2\n1.0\n1.460282 -2.529283 0.000000\n1.460282 2.529283 -0.000000\n-0.000000 0.000000 4.625413\nTi\n2\ndirect\n0.333332 0.666666 0.250000 Ti\n0.666666 0.333332 0.750000 Ti\n",
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"elements": [
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],
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"density": 4.652652675920648,
"density_atomic": 0.05853496005905436,
"volume": 34.16761535298313,
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"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy_above_hull": 0.0093900000000006,
"spacegroup": 194
}
]
}