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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=830",
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"results": [
{
"id": "jvasp-41175",
"created_at": "2022-09-04T14:37:40.692666Z",
"updated_at": "2022-09-04T14:37:40.692687Z",
"structure_string": "Nd1 Mg1 Zn2\n1.0\n-0.000000 3.481874 3.481874\n3.481874 -0.000000 3.481874\n3.481874 3.481874 -0.000000\nNd Mg Zn\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.499998 0.499998 0.499998 Zn\n",
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"volume": 84.42462667873338,
"volume_molar": 12.710424636744593,
"formula_full": "Nd1 Mg1 Zn2",
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},
{
"id": "jvasp-107997",
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"updated_at": "2022-09-04T14:36:20.256485Z",
"structure_string": "Yb1 Nd1 Mg2\n1.0\n4.742913 -0.000000 2.738322\n1.580971 4.471662 2.738322\n-0.000000 -0.000000 5.476645\nYb Nd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.750000 0.749999 Mg\n",
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],
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"density_atomic": 0.034437472811126885,
"volume": 116.1525417947505,
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"formula_full": "Yb1 Nd1 Mg2",
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"spacegroup": 225
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{
"id": "jvasp-102537",
"created_at": "2022-09-04T14:36:58.425414Z",
"updated_at": "2022-09-04T14:36:58.425440Z",
"structure_string": "Nd1 Y1 Mg2\n1.0\n4.671325 -0.000000 2.696991\n1.557108 4.404168 2.696991\n-0.000000 -0.000000 5.393982\nNd Y Mg\n1 1 2\ndirect\n0.500001 0.500000 0.499999 Nd\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750000 0.749999 Mg\n",
"nsites": 4,
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"elements": [
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"Y",
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],
"chemical_system": "Mg-Nd-Y",
"density": 4.21610742989308,
"density_atomic": 0.03604512514681979,
"volume": 110.97201032614294,
"volume_molar": 16.707226665105157,
"formula_full": "Nd1 Y1 Mg2",
"formula_reduced": "NdYMg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-38463",
"created_at": "2022-09-04T14:38:03.369263Z",
"updated_at": "2022-09-04T14:38:03.369280Z",
"structure_string": "Nd1 Tm1 Mg2\n1.0\n-0.000000 3.793402 3.793402\n3.793402 -0.000000 3.793402\n3.793402 3.793402 0.000000\nNd Tm Mg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750001 0.750001 0.750001 Tm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nd",
"Tm",
"Mg"
],
"chemical_system": "Mg-Nd-Tm",
"density": 5.502809829434718,
"density_atomic": 0.0366389812147008,
"volume": 109.17334127170176,
"volume_molar": 16.436430709442636,
"formula_full": "Nd1 Tm1 Mg2",
"formula_reduced": "NdTmMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3015709625,
"spacegroup": 225
},
{
"id": "jvasp-106299",
"created_at": "2022-09-04T14:38:38.554412Z",
"updated_at": "2022-09-04T14:38:38.554420Z",
"structure_string": "Nd3 Mg3 Tl3\n1.0\n7.720482 0.000000 -0.000000\n-3.860241 6.686133 -0.000000\n-0.000000 -0.000000 4.725377\nNd Mg Tl\n3 3 3\ndirect\n0.575378 0.000000 0.000000 Nd\n-0.000000 0.575378 0.000000 Nd\n0.424622 0.424622 0.000000 Nd\n0.243503 0.000000 0.500000 Mg\n-0.000000 0.243503 0.500000 Mg\n0.756497 0.756497 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Mg-Nd-Tl",
"density": 7.616266527368307,
"density_atomic": 0.036896623129849246,
"volume": 243.92476157849333,
"volume_molar": 16.321658323056962,
"formula_full": "Nd3 Mg3 Tl3",
"formula_reduced": "NdMgTl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0455517583333333,
"spacegroup": 189
},
{
"id": "jvasp-41003",
"created_at": "2022-09-04T14:37:35.308222Z",
"updated_at": "2022-09-04T14:37:35.308244Z",
"structure_string": "Nd2 Mg1 Tl1\n1.0\n0.000000 3.873145 3.873145\n3.873145 0.000000 3.873145\n3.873145 3.873145 0.000000\nNd Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Nd\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.749999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Nd-Tl",
"density": 7.390317373053213,
"density_atomic": 0.03442220822498038,
"volume": 116.20404983481505,
"volume_molar": 17.494928624682775,
"formula_full": "Nd2 Mg1 Tl1",
"formula_reduced": "Nd2MgTl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4741391937500001,
"spacegroup": 225
},
{
"id": "jvasp-38284",
"created_at": "2022-09-04T14:37:42.365084Z",
"updated_at": "2022-09-04T14:37:42.365114Z",
"structure_string": "Nd1 Mg1 Tl2\n1.0\n0.000000 3.771391 3.771391\n3.771391 0.000000 3.771391\n3.771391 3.771391 -0.000000\nNd Mg Tl\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Nd\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
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"density": 8.935651227525673,
"density_atomic": 0.03728424169672954,
"volume": 107.28393063579105,
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"formula_full": "Nd1 Mg1 Tl2",
"formula_reduced": "NdMgTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-86678",
"created_at": "2022-09-04T14:35:45.559967Z",
"updated_at": "2022-09-04T14:35:45.559993Z",
"structure_string": "Nd4 Mg4 Si8\n1.0\n4.245824 -0.000000 -0.486190\n-0.055674 4.245459 -0.486190\n-0.012073 -0.012233 18.676716\nNd Mg Si\n4 4 8\ndirect\n0.702548 0.952548 0.905093 Nd\n0.547454 0.797454 0.594907 Nd\n0.452547 0.202547 0.405093 Nd\n0.297453 0.047453 0.094907 Nd\n0.624978 0.374978 0.749955 Mg\n0.874977 0.124978 0.249955 Mg\n0.375023 0.625023 0.250045 Mg\n0.125024 0.875023 0.750045 Mg\n0.077450 0.327450 0.654899 Si\n0.764288 0.514288 0.028576 Si\n0.172551 0.422551 0.845101 Si\n0.922551 0.672551 0.345101 Si\n0.985712 0.735713 0.471424 Si\n0.827449 0.577450 0.154899 Si\n0.014289 0.264289 0.528576 Si\n0.235713 0.485713 0.971424 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Si"
],
"chemical_system": "Mg-Nd-Si",
"density": 4.434298771696912,
"density_atomic": 0.047533301977202055,
"volume": 336.60611265074596,
"volume_molar": 12.669308694120055,
"formula_full": "Nd4 Mg4 Si8",
"formula_reduced": "NdMgSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6309944374999996,
"spacegroup": 141
},
{
"id": "jvasp-104634",
"created_at": "2022-09-04T14:36:50.577510Z",
"updated_at": "2022-09-04T14:36:50.577529Z",
"structure_string": "Nd4 Mg2 Si4\n1.0\n7.364960 -0.000000 0.000000\n0.000000 7.364960 0.000000\n-0.000000 -0.000000 4.376877\nNd Mg Si\n4 2 4\ndirect\n0.680098 0.180098 0.500000 Nd\n0.319903 0.819903 0.500000 Nd\n0.180098 0.319903 0.500000 Nd\n0.819903 0.680098 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115792 0.615792 -0.000000 Si\n0.884208 0.384208 -0.000000 Si\n0.615792 0.884208 -0.000000 Si\n0.384208 0.115792 -0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Nd-Si",
"density": 5.16123045955524,
"density_atomic": 0.04212063141395043,
"volume": 237.41334505939963,
"volume_molar": 14.297365822501552,
"formula_full": "Nd4 Mg2 Si4",
"formula_reduced": "Nd2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.71358785,
"spacegroup": 127
},
{
"id": "jvasp-86078",
"created_at": "2022-09-04T14:35:52.387067Z",
"updated_at": "2022-09-04T14:35:52.387093Z",
"structure_string": "Nd4 Mg4 Si8\n1.0\n4.245824 -0.000000 -0.486190\n-0.055674 4.245459 -0.486190\n-0.012073 -0.012233 18.676716\nNd Mg Si\n4 4 8\ndirect\n0.702548 0.952548 0.905093 Nd\n0.547454 0.797454 0.594907 Nd\n0.452547 0.202547 0.405093 Nd\n0.297453 0.047453 0.094907 Nd\n0.624978 0.374978 0.749955 Mg\n0.874977 0.124978 0.249955 Mg\n0.375023 0.625023 0.250045 Mg\n0.125024 0.875023 0.750045 Mg\n0.077450 0.327450 0.654899 Si\n0.764288 0.514288 0.028576 Si\n0.172551 0.422551 0.845101 Si\n0.922551 0.672551 0.345101 Si\n0.985712 0.735713 0.471424 Si\n0.827449 0.577450 0.154899 Si\n0.014289 0.264289 0.528576 Si\n0.235713 0.485713 0.971424 Si\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.434298771696912,
"density_atomic": 0.047533301977202055,
"volume": 336.60611265074596,
"volume_molar": 12.669308694120055,
"formula_full": "Nd4 Mg4 Si8",
"formula_reduced": "NdMgSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6309944374999996,
"spacegroup": 141
},
{
"id": "jvasp-16399",
"created_at": "2022-09-04T14:37:46.884179Z",
"updated_at": "2022-09-04T14:37:46.884210Z",
"structure_string": "Nd3 Mg3 Pt3\n1.0\n3.776402 -6.540921 -0.000000\n3.776402 6.540921 0.000000\n0.000000 -0.000000 4.132375\nNd Mg Pt\n3 3 3\ndirect\n0.588060 0.588060 0.000000 Nd\n-0.000000 0.411940 0.000000 Nd\n0.411940 -0.000000 0.000000 Nd\n0.759034 -0.000000 0.500001 Mg\n0.240965 0.240965 0.500001 Mg\n-0.000000 0.759034 0.500001 Mg\n0.666667 0.333333 0.500001 Pt\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500001 Pt\n",
"nsites": 9,
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"elements": [
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],
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"density": 8.873284544572567,
"density_atomic": 0.04408548931423467,
"volume": 204.14880587690357,
"volume_molar": 13.660142721962538,
"formula_full": "Nd3 Mg3 Pt3",
"formula_reduced": "NdMgPt",
"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-120473",
"created_at": "2022-09-04T14:38:39.124830Z",
"updated_at": "2022-09-04T14:38:39.124851Z",
"structure_string": "Nd16 Mg4 Pt4\n1.0\n8.697640 -0.000000 5.021585\n2.899213 8.200213 5.021585\n-0.000000 -0.000000 10.043169\nNd Mg Pt\n16 4 4\ndirect\n0.348884 0.348884 0.348884 Nd\n0.934647 0.934647 0.565353 Nd\n0.565353 0.565353 0.934647 Nd\n0.934647 0.565353 0.934646 Nd\n0.565353 0.934647 0.565353 Nd\n0.934647 0.565353 0.565353 Nd\n0.809302 0.809302 0.190698 Nd\n0.190698 0.190698 0.809302 Nd\n0.565353 0.934647 0.934647 Nd\n0.190698 0.809302 0.190698 Nd\n0.190698 0.809302 0.809302 Nd\n0.809302 0.190698 0.190698 Nd\n0.953350 0.348884 0.348883 Nd\n0.348883 0.953349 0.348883 Nd\n0.348884 0.348884 0.953350 Nd\n0.809302 0.190698 0.809301 Nd\n0.579419 0.579419 0.579419 Mg\n0.579419 0.579419 0.261744 Mg\n0.579419 0.261744 0.579419 Mg\n0.261744 0.579419 0.579419 Mg\n0.142908 0.571275 0.142908 Pt\n0.142909 0.142908 0.142908 Pt\n0.142909 0.142908 0.571275 Pt\n0.571275 0.142908 0.142908 Pt\n",
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],
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"volume": 716.3039270014858,
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"formula_full": "Nd16 Mg4 Pt4",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
}
]
}