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"results": [
{
"id": "jvasp-56567",
"created_at": "2022-09-04T14:38:35.384302Z",
"updated_at": "2022-09-04T14:38:35.384316Z",
"structure_string": "Mo12 Pt8 N4\n1.0\n6.895414 -0.000000 0.000000\n0.000000 6.895414 -0.000000\n-0.000000 0.000000 6.895414\nMo Pt N\n12 8 4\ndirect\n0.625000 0.700564 0.950564 Mo\n0.799435 0.049435 0.125000 Mo\n0.125000 0.799435 0.049435 Mo\n0.299435 0.450564 0.875000 Mo\n0.049435 0.125000 0.799435 Mo\n0.875000 0.299435 0.450564 Mo\n0.950564 0.625000 0.700564 Mo\n0.375000 0.200565 0.549435 Mo\n0.549435 0.375000 0.200565 Mo\n0.700564 0.950564 0.625000 Mo\n0.450564 0.875000 0.299435 Mo\n0.200565 0.549435 0.375000 Mo\n0.943434 0.443434 0.056565 Pt\n0.056565 0.943434 0.443434 Pt\n0.556565 0.556565 0.556565 Pt\n0.693434 0.306565 0.806565 Pt\n0.806565 0.693434 0.306565 Pt\n0.306565 0.806565 0.693434 Pt\n0.193435 0.193435 0.193435 Pt\n0.443434 0.056565 0.943434 Pt\n0.125000 0.375000 0.625000 N\n0.375000 0.625000 0.125000 N\n0.875000 0.875000 0.875000 N\n0.625000 0.125000 0.375000 N\n",
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"formula_full": "Mo12 Pt8 N4",
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"formula_anonymous": "AB2C3",
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{
"id": "jvasp-39975",
"created_at": "2022-09-04T14:37:53.172013Z",
"updated_at": "2022-09-04T14:37:53.172041Z",
"structure_string": "Nd2 Au6\n1.0\n3.228903 -5.592625 0.000000\n3.228903 5.592625 0.000000\n0.000000 -0.000000 4.821688\nNd Au\n2 6\ndirect\n0.333333 0.666666 0.250000 Nd\n0.666666 0.333333 0.750000 Nd\n0.687767 0.843882 0.750000 Au\n0.156117 0.312233 0.750000 Au\n0.156117 0.843882 0.750000 Au\n0.312233 0.156117 0.250000 Au\n0.843882 0.687767 0.250000 Au\n0.843882 0.156117 0.250000 Au\n",
"nsites": 8,
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"elements": [
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"Au"
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"density": 14.020075644368024,
"density_atomic": 0.045939915105597154,
"volume": 174.14050464854492,
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"formula_full": "Nd2 Au6",
"formula_reduced": "NdAu3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-51191",
"created_at": "2022-09-04T14:36:55.081314Z",
"updated_at": "2022-09-04T14:36:55.081339Z",
"structure_string": "Cu1 Re2 Cl1\n1.0\n0.000000 3.033428 3.033428\n3.033428 0.000000 3.033428\n3.033428 3.033428 0.000000\nCu Re Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cu\n0.750001 0.750001 0.750001 Re\n0.250000 0.250000 0.250000 Re\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Re",
"Cl"
],
"chemical_system": "Cl-Cu-Re",
"density": 14.022310608927864,
"density_atomic": 0.07165209979070333,
"volume": 55.825300468291225,
"volume_molar": 8.404695434733592,
"formula_full": "Cu1 Re2 Cl1",
"formula_reduced": "CuRe2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.683365129375,
"spacegroup": 225
},
{
"id": "jvasp-71806",
"created_at": "2022-09-04T14:36:07.989371Z",
"updated_at": "2022-09-04T14:36:07.989401Z",
"structure_string": "Be1 Zn1 Pt2\n1.0\n-1.814256 1.814256 4.178188\n1.814256 -1.814256 4.178188\n1.814256 1.814256 -4.178188\nBe Zn Pt\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Pt\n0.250000 0.750001 0.500001 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Pt"
],
"chemical_system": "Be-Pt-Zn",
"density": 14.024038187055632,
"density_atomic": 0.07271347270866929,
"volume": 55.010438244728455,
"volume_molar": 8.282015059476052,
"formula_full": "Be1 Zn1 Pt2",
"formula_reduced": "BeZnPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.290267325,
"spacegroup": 119
},
{
"id": "jvasp-51317",
"created_at": "2022-09-04T14:37:01.901538Z",
"updated_at": "2022-09-04T14:37:01.901573Z",
"structure_string": "Mo1 Pt2 Br1\n1.0\n0.000000 3.223944 3.223945\n3.223945 -0.000000 3.223945\n3.223945 3.223944 0.000000\nMo Pt Br\n1 2 1\ndirect\n0.250000 0.250001 0.250000 Mo\n0.000000 0.000000 0.000000 Pt\n0.749999 0.750003 0.749999 Pt\n0.499999 0.500002 0.499999 Br\n",
"nsites": 4,
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"elements": [
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"Pt",
"Br"
],
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"density": 14.024326133641544,
"density_atomic": 0.05968528304708896,
"volume": 67.01819604079255,
"volume_molar": 10.089825250973186,
"formula_full": "Mo1 Pt2 Br1",
"formula_reduced": "MoPt2Br",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.90564820125,
"spacegroup": 216
},
{
"id": "jvasp-65302",
"created_at": "2022-09-04T14:35:49.911471Z",
"updated_at": "2022-09-04T14:35:49.911509Z",
"structure_string": "Be1 Zn1 Pt4\n1.0\n-0.000000 3.698768 3.698768\n3.698768 -0.000000 3.698768\n3.698768 3.698768 -0.000000\nBe Zn Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Zn\n0.124770 0.625077 0.625077 Pt\n0.625077 0.625077 0.625077 Pt\n0.625077 0.124770 0.625077 Pt\n0.625077 0.625077 0.124770 Pt\n",
"nsites": 6,
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"elements": [
"Be",
"Zn",
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],
"chemical_system": "Be-Pt-Zn",
"density": 14.024603292383855,
"density_atomic": 0.05928570377949648,
"volume": 101.20483721195286,
"volume_molar": 10.157829588054435,
"formula_full": "Be1 Zn1 Pt4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-41038",
"created_at": "2022-09-04T14:37:46.928479Z",
"updated_at": "2022-09-04T14:37:46.928496Z",
"structure_string": "Yb4 Si4 Pt8\n1.0\n5.556336 -0.000000 0.000000\n-0.000000 6.909832 0.000000\n0.000000 0.000000 7.293989\nYb Si Pt\n4 4 8\ndirect\n0.869400 0.250000 0.480704 Yb\n0.630601 0.250000 0.980704 Yb\n0.369400 0.750000 0.019296 Yb\n0.130601 0.750000 0.519297 Yb\n0.871231 0.750000 0.876834 Si\n0.628770 0.750000 0.376834 Si\n0.371230 0.250000 0.623166 Si\n0.128770 0.250000 0.123166 Si\n0.898697 0.949305 0.175253 Pt\n0.898697 0.550694 0.175253 Pt\n0.601304 0.949305 0.675253 Pt\n0.601304 0.550694 0.675253 Pt\n0.398697 0.449305 0.324748 Pt\n0.398697 0.050694 0.324748 Pt\n0.101304 0.449305 0.824748 Pt\n0.101304 0.050694 0.824748 Pt\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Yb",
"Si",
"Pt"
],
"chemical_system": "Pt-Si-Yb",
"density": 14.02461994029784,
"density_atomic": 0.05713456035972887,
"volume": 280.040660140925,
"volume_molar": 10.540276711824825,
"formula_full": "Yb4 Si4 Pt8",
"formula_reduced": "YbSiPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6272755250000002,
"spacegroup": 62
},
{
"id": "jvasp-109917",
"created_at": "2022-09-04T14:37:52.732431Z",
"updated_at": "2022-09-04T14:37:52.732452Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n3.889360 -0.000000 2.245523\n1.296453 3.666924 2.245523\n-0.000000 -0.000000 4.491046\nZr Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.499999 0.500000 Zn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.749999 0.750000 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ir"
],
"chemical_system": "Ir-Zn-Zr",
"density": 14.027251658152435,
"density_atomic": 0.0624499989764889,
"volume": 64.05124204254855,
"volume_molar": 9.643139885826432,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.811569275,
"spacegroup": 225
},
{
"id": "jvasp-119034",
"created_at": "2022-09-04T14:38:51.293688Z",
"updated_at": "2022-09-04T14:38:51.293718Z",
"structure_string": "Tm4 Ge6 Os7\n1.0\n6.802759 0.000000 -2.405139\n-3.401380 5.891362 -2.405139\n0.000000 0.000000 7.215416\nTm Ge Os\n4 6 7\ndirect\n-0.000000 -0.000000 0.500000 Tm\n-0.000000 0.500000 -0.000000 Tm\n0.500000 -0.000000 -0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n-0.000000 0.690415 0.690415 Ge\n0.309585 0.309585 -0.000000 Ge\n0.690415 -0.000000 0.690415 Ge\n0.309585 -0.000000 0.309585 Ge\n0.690415 0.690415 -0.000000 Ge\n-0.000000 0.309585 0.309585 Ge\n0.500000 0.750000 0.250000 Os\n0.750000 0.250000 0.500000 Os\n0.750000 0.500000 0.250000 Os\n0.500000 0.250000 0.750000 Os\n0.250000 0.500000 0.750000 Os\n0.250000 0.750000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Ge",
"Os"
],
"chemical_system": "Ge-Os-Tm",
"density": 14.029545699049423,
"density_atomic": 0.05878773820963002,
"volume": 289.175949232475,
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"formula_full": "Tm4 Ge6 Os7",
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"formula_anonymous": "A4B6C7",
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},
{
"id": "jvasp-78982",
"created_at": "2022-09-04T14:37:11.750707Z",
"updated_at": "2022-09-04T14:37:11.750729Z",
"structure_string": "Tl3 Ir1\n1.0\n0.000000 3.625379 3.625379\n3.625379 0.000000 3.625379\n3.625379 3.625379 0.000000\nTl Ir\n3 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n0.250000 0.250000 0.250000 Tl\n0.749999 0.749999 0.749999 Ir\n",
"nsites": 4,
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],
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"density": 14.033068137727966,
"density_atomic": 0.04197297487605881,
"volume": 95.29941615555063,
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"formula_full": "Tl3 Ir1",
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"spacegroup": 225
},
{
"id": "jvasp-19742",
"created_at": "2022-09-04T14:38:19.337539Z",
"updated_at": "2022-09-04T14:38:19.337557Z",
"structure_string": "Np2 Ni4\n1.0\n4.254578 0.000000 2.456382\n1.418193 4.011255 2.456382\n0.000000 0.000000 4.912763\nNp Ni\n2 4\ndirect\n0.875000 0.874999 0.874999 Np\n0.125000 0.125000 0.125000 Np\n0.500000 0.499999 0.500000 Ni\n0.500000 0.499999 -0.000000 Ni\n-0.000000 0.499999 0.500000 Ni\n0.500000 -0.000000 0.499999 Ni\n",
"nsites": 6,
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"elements": [
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"volume": 83.84218252523682,
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"spacegroup": 227
},
{
"id": "jvasp-59726",
"created_at": "2022-09-04T14:37:35.224613Z",
"updated_at": "2022-09-04T14:37:35.224635Z",
"structure_string": "Co4 Re4 B4\n1.0\n3.322859 0.000000 0.000000\n-0.000000 5.610646 0.000000\n0.000000 0.000000 6.494238\nCo Re B\n4 4 4\ndirect\n0.750000 0.855220 0.556700 Co\n0.250000 0.144781 0.443300 Co\n0.750000 0.355220 0.943300 Co\n0.250000 0.644781 0.056700 Co\n0.250000 0.529435 0.671908 Re\n0.750000 0.470566 0.328093 Re\n0.250000 0.029434 0.828093 Re\n0.750000 0.970566 0.171908 Re\n0.250000 0.268060 0.124043 B\n0.750000 0.731940 0.875958 B\n0.250000 0.768060 0.375957 B\n0.750000 0.231940 0.624043 B\n",
"nsites": 12,
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"volume": 121.07458293236205,
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"formula_full": "Co4 Re4 B4",
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"spacegroup": 62
}
]
}