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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1091",
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"results": [
{
"id": "jvasp-92590",
"created_at": "2022-09-04T14:36:34.334238Z",
"updated_at": "2022-09-04T14:36:34.334259Z",
"structure_string": "Nd1 Si2 Ir2\n1.0\n4.249669 0.000000 0.000000\n0.000000 4.249669 0.000000\n-2.124833 -2.124833 5.004193\nNd Si Ir\n1 2 2\ndirect\n0.017996 0.017996 0.035994 Nd\n0.768002 0.268002 0.536003 Si\n0.268002 0.768002 0.536003 Si\n0.650353 0.650353 0.300706 Ir\n0.385647 0.385647 0.771292 Ir\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ir-Nd-Si",
"density": 10.746006605761812,
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"volume": 90.37415731375887,
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"formula_full": "Nd1 Si2 Ir2",
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"formula_anonymous": "AB2C2",
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},
{
"id": "jvasp-38521",
"created_at": "2022-09-04T14:38:05.795435Z",
"updated_at": "2022-09-04T14:38:05.795457Z",
"structure_string": "Nd2 Ir1 Ru1\n1.0\n-0.000000 3.529432 3.529432\n3.529432 0.000000 3.529432\n3.529432 3.529432 0.000000\nNd Ir Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Nd\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ru\n",
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"elements": [
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],
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"density": 10.986433056333627,
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"volume": 87.93149408560981,
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"formula_full": "Nd2 Ir1 Ru1",
"formula_reduced": "Nd2IrRu",
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"spacegroup": 225
},
{
"id": "jvasp-41009",
"created_at": "2022-09-04T14:37:35.685474Z",
"updated_at": "2022-09-04T14:37:35.685501Z",
"structure_string": "Nd2 Ir1 Rh1\n1.0\n0.000000 3.541085 3.541085\n3.541085 0.000000 3.541085\n3.541085 3.541085 0.000000\nNd Ir Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500002 0.500002 0.500002 Nd\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ir",
"Rh"
],
"chemical_system": "Ir-Nd-Rh",
"density": 10.91264851046595,
"density_atomic": 0.04504233960186587,
"volume": 88.80533372281356,
"volume_molar": 13.369955497938951,
"formula_full": "Nd2 Ir1 Rh1",
"formula_reduced": "Nd2IrRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.518876775,
"spacegroup": 225
},
{
"id": "jvasp-99830",
"created_at": "2022-09-04T14:36:34.737046Z",
"updated_at": "2022-09-04T14:36:34.737066Z",
"structure_string": "Pr1 Nd1 Ir2\n1.0\n4.360966 0.000000 2.517805\n1.453655 4.111558 2.517805\n0.000000 -0.000000 5.035609\nPr Nd Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.499999 Nd\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.749999 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Nd",
"Ir"
],
"chemical_system": "Ir-Nd-Pr",
"density": 12.314387486474063,
"density_atomic": 0.04430154460453575,
"volume": 90.2903055797848,
"volume_molar": 13.593523236621937,
"formula_full": "Pr1 Nd1 Ir2",
"formula_reduced": "PrNdIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9791283875000003,
"spacegroup": 225
},
{
"id": "jvasp-41018",
"created_at": "2022-09-04T14:37:38.928866Z",
"updated_at": "2022-09-04T14:37:38.928885Z",
"structure_string": "Nd2 Ir1 Pd1\n1.0\n0.000000 3.572352 3.572352\n3.572352 0.000000 3.572352\n3.572352 3.572352 0.000000\nNd Ir Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Ir\n0.750001 0.750001 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ir",
"Pd"
],
"chemical_system": "Ir-Nd-Pd",
"density": 10.692616240698525,
"density_atomic": 0.043869962148450625,
"volume": 91.17856054820575,
"volume_molar": 13.727253147886946,
"formula_full": "Nd2 Ir1 Pd1",
"formula_reduced": "Nd2IrPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.19088245,
"spacegroup": 225
},
{
"id": "jvasp-16876",
"created_at": "2022-09-04T14:38:27.506046Z",
"updated_at": "2022-09-04T14:38:27.506064Z",
"structure_string": "Nd2 P2 Ir2\n1.0\n3.970288 -0.000000 -1.091183\n-0.299898 3.958946 -1.091183\n-0.013515 -0.014577 7.719401\nNd P Ir\n2 2 2\ndirect\n0.750540 0.250540 0.501079 Nd\n0.000540 0.000540 0.001078 Nd\n0.329559 0.829559 0.659119 P\n0.579559 0.579559 0.159119 P\n0.412602 0.412601 0.825203 Ir\n0.162602 0.662602 0.325203 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nd",
"P",
"Ir"
],
"chemical_system": "Ir-Nd-P",
"density": 10.067557159178918,
"density_atomic": 0.049501502816076855,
"volume": 121.20844133344876,
"volume_molar": 12.165571583503842,
"formula_full": "Nd2 P2 Ir2",
"formula_reduced": "NdPIr",
"formula_anonymous": "ABC",
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"spacegroup": 109
},
{
"id": "jvasp-22428",
"created_at": "2022-09-04T14:37:42.070574Z",
"updated_at": "2022-09-04T14:37:42.070594Z",
"structure_string": "Nd6 Ir2 O14\n1.0\n6.646559 -0.025350 0.000000\n-2.440151 6.182478 0.000000\n0.000000 -0.000000 7.569345\nNd Ir O\n6 2 14\ndirect\n0.529453 0.085786 0.250000 Nd\n0.470548 0.914214 0.750000 Nd\n0.085786 0.529453 0.250000 Nd\n0.914214 0.470548 0.750000 Nd\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.439573 0.186873 0.540969 O\n0.560427 0.813127 0.040969 O\n0.813127 0.560427 0.040969 O\n0.590797 0.590797 0.750000 O\n0.439573 0.186873 0.959030 O\n0.813127 0.560427 0.459030 O\n0.186873 0.439573 0.959030 O\n0.158695 0.895784 0.250000 O\n0.841305 0.104217 0.750000 O\n0.895784 0.158695 0.250000 O\n0.104217 0.841305 0.750000 O\n0.409204 0.409203 0.250000 O\n0.560427 0.813127 0.459030 O\n0.186873 0.439573 0.540969 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Ir",
"O"
],
"chemical_system": "Ir-Nd-O",
"density": 7.880377570610116,
"density_atomic": 0.07083684192963798,
"volume": 310.5728516504524,
"volume_molar": 8.501424676698285,
"formula_full": "Nd6 Ir2 O14",
"formula_reduced": "Nd3IrO7",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.6530327363636363,
"spacegroup": 63
},
{
"id": "jvasp-41047",
"created_at": "2022-09-04T14:37:37.840376Z",
"updated_at": "2022-09-04T14:37:37.840398Z",
"structure_string": "Nd2 Ni1 Ir1\n1.0\n-0.000000 3.519410 3.519408\n3.519403 0.000000 3.519408\n3.519404 3.519411 -0.000001\nNd Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.499999 0.499998 Nd\n0.750002 0.750001 0.750000 Ni\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Ir"
],
"chemical_system": "Ir-Nd-Ni",
"density": 10.273463197266183,
"density_atomic": 0.0458797803521853,
"volume": 87.1843755417952,
"volume_molar": 13.125914539634799,
"formula_full": "Nd2 Ni1 Ir1",
"formula_reduced": "Nd2NiIr",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-98736",
"created_at": "2022-09-04T14:36:00.204870Z",
"updated_at": "2022-09-04T14:36:00.204899Z",
"structure_string": "Nd20 Ir12\n1.0\n6.590318 -0.000000 0.000000\n0.000000 11.226961 -0.000000\n-0.000000 0.000000 11.226961\nNd Ir\n20 12\ndirect\n0.118055 0.042096 0.340158 Nd\n0.500000 0.750000 0.250000 Nd\n0.500000 0.250000 0.750000 Nd\n0.000000 0.250000 0.750000 Nd\n0.000000 0.750000 0.250000 Nd\n0.618055 0.159842 0.457904 Nd\n0.618055 0.042096 0.159842 Nd\n0.618055 0.457904 0.340158 Nd\n0.881945 0.542096 0.840157 Nd\n0.881945 0.659842 0.542096 Nd\n0.618055 0.340158 0.042096 Nd\n0.881945 0.957904 0.659842 Nd\n0.381945 0.659842 0.957904 Nd\n0.381945 0.840157 0.542096 Nd\n0.381945 0.957904 0.840157 Nd\n0.381945 0.542096 0.659842 Nd\n0.118055 0.457904 0.159842 Nd\n0.118055 0.340158 0.457904 Nd\n0.118055 0.159842 0.042096 Nd\n0.881945 0.840157 0.957904 Nd\n0.118939 0.750000 0.750000 Ir\n0.381061 0.250000 0.250000 Ir\n0.750000 0.096303 0.903697 Ir\n0.750000 0.596303 0.096303 Ir\n0.750000 0.903697 0.403697 Ir\n0.250000 0.096303 0.596303 Ir\n0.250000 0.903697 0.096303 Ir\n0.250000 0.403697 0.903697 Ir\n0.250000 0.596303 0.403697 Ir\n0.618939 0.750000 0.750000 Ir\n0.750000 0.403697 0.596303 Ir\n0.881061 0.250000 0.250000 Ir\n",
"nsites": 32,
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"elements": [
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],
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"density": 10.377828087348187,
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"volume": 830.6743474172312,
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"formula_full": "Nd20 Ir12",
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"spacegroup": 130
},
{
"id": "jvasp-93438",
"created_at": "2022-09-04T14:36:07.692667Z",
"updated_at": "2022-09-04T14:36:07.692697Z",
"structure_string": "Nd1 Ir5\n1.0\n5.358581 0.000000 0.000000\n-2.679291 4.640667 -0.000000\n0.000000 0.000000 4.341402\nNd Ir\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ir\n0.666667 0.333333 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.333333 0.666667 0.000000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
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"formula_full": "Nd1 Ir5",
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},
{
"id": "jvasp-19880",
"created_at": "2022-09-04T14:37:02.310435Z",
"updated_at": "2022-09-04T14:37:02.310462Z",
"structure_string": "Nd2 Ir4\n1.0\n4.714286 -0.000000 2.721794\n1.571428 4.444671 2.721794\n0.000000 -0.000000 5.443587\nNd Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Nd\n0.875001 0.875000 0.874999 Nd\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500001 0.500000 -0.000001 Ir\n0.500001 0.500000 0.499999 Ir\n",
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"spacegroup": 227
},
{
"id": "jvasp-20540",
"created_at": "2022-09-04T14:37:33.500263Z",
"updated_at": "2022-09-04T14:37:33.500287Z",
"structure_string": "Nd1 Ir3\n1.0\n4.139265 0.000000 -0.000000\n0.000000 4.139265 0.000000\n0.000000 0.000000 4.139265\nNd Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.000000 Ir\n0.499999 0.000000 0.499999 Ir\n0.000000 0.499999 0.499999 Ir\n",
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}
]
}