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{
"id": "jvasp-103276",
"created_at": "2022-09-04T14:36:43.545212Z",
"updated_at": "2022-09-04T14:36:43.545231Z",
"structure_string": "Mg1 Hg3\n1.0\n4.014826 -0.211028 -3.830064\n-0.880307 3.922807 -3.830064\n0.178209 0.211028 5.545850\nMg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000001 Hg\n0.750001 0.250000 0.500001 Hg\n0.250000 0.750001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Mg",
"density": 11.167738336303943,
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"volume": 93.09154323055769,
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{
"id": "jvasp-18953",
"created_at": "2022-09-04T14:36:21.927060Z",
"updated_at": "2022-09-04T14:36:21.927087Z",
"structure_string": "Mg6 Hg2\n1.0\n2.421008 -4.193310 0.000000\n2.421008 4.193310 -0.000000\n0.000000 -0.000000 8.642268\nMg Hg\n6 2\ndirect\n0.666667 0.333333 0.077473 Mg\n0.333333 0.666667 0.577473 Mg\n0.000000 0.000000 0.750000 Mg\n0.000000 0.000000 0.250000 Mg\n0.666667 0.333333 0.422528 Mg\n0.333333 0.666667 0.922528 Mg\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"density": 5.176466925555758,
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"volume": 175.47324997606262,
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"formula_full": "Mg6 Hg2",
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{
"id": "jvasp-110824",
"created_at": "2022-09-04T14:38:45.488053Z",
"updated_at": "2022-09-04T14:38:45.488081Z",
"structure_string": "Mg2 Hg4\n1.0\n6.458245 -0.154046 2.324295\n5.537459 3.327041 2.324295\n0.094273 0.024936 6.219827\nMg Hg\n2 4\ndirect\n0.148285 0.148286 0.421391 Mg\n0.851714 0.851714 0.578609 Mg\n0.184310 0.184312 0.860661 Hg\n0.815689 0.815688 0.139338 Hg\n0.513159 0.513159 0.234806 Hg\n0.486840 0.486841 0.765193 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
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"chemical_system": "Hg-Mg",
"density": 10.229697843366603,
"density_atomic": 0.04343608848700522,
"volume": 138.133985103079,
"volume_molar": 13.86437170050808,
"formula_full": "Mg2 Hg4",
"formula_reduced": "MgHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2980691666666666,
"spacegroup": 12
},
{
"id": "jvasp-109326",
"created_at": "2022-09-04T14:37:58.677821Z",
"updated_at": "2022-09-04T14:37:58.677844Z",
"structure_string": "Mg2 Hg6\n1.0\n5.045617 -0.000000 0.000000\n-2.522808 4.369633 0.000000\n-0.000000 -0.000000 8.902035\nMg Hg\n2 6\ndirect\n0.333333 0.666666 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666666 0.573116 Hg\n0.666667 0.333333 0.426884 Hg\n0.666667 0.333333 0.073116 Hg\n0.333333 0.666666 0.926885 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.59392548659822,
"density_atomic": 0.04076068234846831,
"volume": 196.26756813359924,
"volume_molar": 14.774386524042814,
"formula_full": "Mg2 Hg6",
"formula_reduced": "MgHg3",
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"spacegroup": 194
},
{
"id": "jvasp-37195",
"created_at": "2022-09-04T14:37:55.750184Z",
"updated_at": "2022-09-04T14:37:55.750227Z",
"structure_string": "Mg3 Hg1\n1.0\n4.379489 0.000000 0.000000\n0.000000 4.379489 0.000000\n-0.000000 -0.000000 4.379489\nMg Hg\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Hg"
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"chemical_system": "Hg-Mg",
"density": 5.406846598296114,
"density_atomic": 0.04762003077664933,
"volume": 83.99826574579653,
"volume_molar": 12.646234497926827,
"formula_full": "Mg3 Hg1",
"formula_reduced": "Mg3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1008295833333333,
"spacegroup": 221
},
{
"id": "jvasp-99491",
"created_at": "2022-09-04T14:36:31.563433Z",
"updated_at": "2022-09-04T14:36:31.563457Z",
"structure_string": "Mg5 Hg1\n1.0\n8.127449 0.040289 0.000000\n-7.475020 3.190787 0.000000\n0.000000 0.000000 5.002721\nMg Hg\n5 1\ndirect\n0.000894 0.999108 0.500000 Mg\n0.671329 0.328672 0.500000 Mg\n0.335086 0.664915 0.500000 Mg\n0.556312 0.443689 -0.000000 Mg\n0.882064 0.117937 -0.000000 Mg\n0.220988 0.779013 -0.000000 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
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"chemical_system": "Hg-Mg",
"density": 4.075559781272053,
"density_atomic": 0.04571707872113411,
"volume": 131.24198150540002,
"volume_molar": 13.172628104113928,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0014633333333333,
"spacegroup": 38
},
{
"id": "jvasp-123931",
"created_at": "2022-09-04T14:38:55.607277Z",
"updated_at": "2022-09-04T14:38:55.607308Z",
"structure_string": "Mg1 I1\n1.0\n1.945876 -3.370361 0.000000\n1.945876 3.370361 -0.000000\n-0.000000 0.000000 4.390975\nMg I\n1 1\ndirect\n0.333334 0.666668 0.250000 Mg\n0.666668 0.333334 0.749999 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"I"
],
"chemical_system": "I-Mg",
"density": 4.359588980533816,
"density_atomic": 0.03472541568407373,
"volume": 57.59470291718549,
"volume_molar": 17.34217039988368,
"formula_full": "Mg1 I1",
"formula_reduced": "MgI",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-167",
"created_at": "2022-09-04T14:37:08.656182Z",
"updated_at": "2022-09-04T14:37:08.656206Z",
"structure_string": "Mg1 I2\n1.0\n2.084411 -3.610305 0.000000\n2.084411 3.610305 -0.000000\n0.000000 0.000000 6.849617\nMg I\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.755718 I\n0.666667 0.333333 0.244283 I\n",
"nsites": 3,
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"elements": [
"Mg",
"I"
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"chemical_system": "I-Mg",
"density": 4.479693719450732,
"density_atomic": 0.029100317103353094,
"volume": 103.0916601130207,
"volume_molar": 20.694416279422935,
"formula_full": "Mg1 I2",
"formula_reduced": "MgI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-106037",
"created_at": "2022-09-04T14:35:48.468725Z",
"updated_at": "2022-09-04T14:35:48.468752Z",
"structure_string": "Mg1 In2\n1.0\n3.252197 -0.027522 -6.170277\n-0.223380 3.244633 -6.170277\n0.025911 0.027522 6.974843\nMg In\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.339832 0.339832 -0.000000 In\n0.660169 0.660168 -0.000000 In\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 5.647209582962801,
"density_atomic": 0.04017660522118376,
"volume": 74.67032078703856,
"volume_molar": 14.989172745796674,
"formula_full": "Mg1 In2",
"formula_reduced": "MgIn2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.12502,
"spacegroup": 139
},
{
"id": "jvasp-100494",
"created_at": "2022-09-04T14:38:40.267136Z",
"updated_at": "2022-09-04T14:38:40.267153Z",
"structure_string": "Mg2 In4\n1.0\n5.849920 0.000000 0.000000\n-2.924960 5.066179 0.000000\n0.000000 -0.000000 5.127372\nMg In\n2 4\ndirect\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n0.653143 -0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.346857 0.346857 0.500000 In\n0.000000 0.653143 0.500000 In\n",
"nsites": 6,
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"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 5.549918860884736,
"density_atomic": 0.03948443843063168,
"volume": 151.9586003620417,
"volume_molar": 15.2519346845467,
"formula_full": "Mg2 In4",
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"formula_anonymous": "AB2",
"energy_above_hull": 0.13188,
"spacegroup": 189
},
{
"id": "jvasp-109060",
"created_at": "2022-09-04T14:38:17.853150Z",
"updated_at": "2022-09-04T14:38:17.853170Z",
"structure_string": "Mg2 In4\n1.0\n5.070316 -0.068704 3.503139\n1.801117 4.740127 3.503139\n-0.101060 -0.068704 6.161970\nMg In\n2 4\ndirect\n0.329435 0.329435 0.329434 Mg\n0.670566 0.670567 0.670565 Mg\n0.174211 0.825791 0.499999 In\n0.825790 0.500001 0.174210 In\n0.500000 0.174212 0.825789 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"volume": 151.34822144539027,
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"formula_full": "Mg2 In4",
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"spacegroup": 155
},
{
"id": "jvasp-108653",
"created_at": "2022-09-04T14:38:16.720748Z",
"updated_at": "2022-09-04T14:38:16.720762Z",
"structure_string": "Mg5 In1\n1.0\n4.851841 -0.048344 3.690240\n1.802458 4.504869 3.690240\n-0.072185 -0.048344 6.095328\nMg In\n5 1\ndirect\n0.500000 0.167377 0.832624 Mg\n0.167376 0.832625 0.499999 Mg\n0.832624 0.500001 0.167375 Mg\n0.332041 0.332041 0.332040 Mg\n0.667960 0.667961 0.667959 Mg\n0.000000 0.000000 0.000000 In\n",
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"formula_full": "Mg5 In1",
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]
}