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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3862",
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"results": [
{
"id": "jvasp-102306",
"created_at": "2022-09-04T14:36:43.464338Z",
"updated_at": "2022-09-04T14:36:43.464372Z",
"structure_string": "Mg2 Sb3\n1.0\n4.744366 -0.000000 0.000000\n-2.372183 4.108741 0.000000\n0.000000 0.000000 7.252636\nMg Sb\n2 3\ndirect\n0.333334 0.666667 0.162906 Mg\n0.666667 0.333333 0.837094 Mg\n0.333334 0.666667 0.583485 Sb\n0.666667 0.333333 0.416515 Sb\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 5,
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"elements": [
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],
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"density": 4.861286297995896,
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"volume_molar": 17.028003474207964,
"formula_full": "Mg2 Sb3",
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"spacegroup": 164
},
{
"id": "jvasp-106555",
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"updated_at": "2022-09-04T14:36:43.605956Z",
"structure_string": "Mg4 Sb2\n1.0\n5.401980 -0.006715 -4.726067\n-0.480924 3.857717 -6.033562\n-0.042232 0.006715 7.177417\nMg Sb\n4 2\ndirect\n0.248648 -0.000000 0.248648 Mg\n0.181051 0.681051 0.500002 Mg\n0.818950 0.318950 0.500000 Mg\n0.751352 -0.000000 0.751352 Mg\n0.648228 0.648228 0.000000 Sb\n0.351773 0.351772 0.000000 Sb\n",
"nsites": 6,
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"elements": [
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],
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"volume": 149.01168759725587,
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"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
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"spacegroup": 71
},
{
"id": "jvasp-78545",
"created_at": "2022-09-04T14:37:17.400240Z",
"updated_at": "2022-09-04T14:37:17.400271Z",
"structure_string": "Mg1 Sb1\n1.0\n3.452328 0.000000 0.000000\n0.000000 3.452328 0.000000\n0.000000 -0.000000 4.098194\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.965679050620337,
"density_atomic": 0.04094617906021705,
"volume": 48.844606405367436,
"volume_molar": 14.707454756996016,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5515776142857145,
"spacegroup": 123
},
{
"id": "jvasp-78581",
"created_at": "2022-09-04T14:37:08.801349Z",
"updated_at": "2022-09-04T14:37:08.801368Z",
"structure_string": "Mg1 Sb1\n1.0\n3.772516 -0.000000 0.000000\n-1.886259 3.267096 -0.000000\n0.000000 0.000000 4.196146\nMg Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333333 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.689771506126617,
"density_atomic": 0.03867109047600956,
"volume": 51.71822090821935,
"volume_molar": 15.5727203083036,
"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5659826142857145,
"spacegroup": 187
},
{
"id": "jvasp-80486",
"created_at": "2022-09-04T14:37:19.608111Z",
"updated_at": "2022-09-04T14:37:19.608132Z",
"structure_string": "Mg3 Sb1\n1.0\n4.497494 0.000000 0.000000\n0.000000 4.497494 0.000000\n0.000000 -0.000000 4.497494\nMg Sb\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 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.5534278591550184,
"density_atomic": 0.043969164516721906,
"volume": 90.97284526474822,
"volume_molar": 13.69628198805033,
"formula_full": "Mg3 Sb1",
"formula_reduced": "Mg3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2712908714285715,
"spacegroup": 221
},
{
"id": "jvasp-94405",
"created_at": "2022-09-04T14:36:12.693173Z",
"updated_at": "2022-09-04T14:36:12.693192Z",
"structure_string": "Mg4 Sb2\n1.0\n3.529964 -0.000000 0.000000\n-1.764982 3.057038 0.000000\n0.000000 0.000000 13.931202\nMg Sb\n4 2\ndirect\n0.333333 0.666667 0.914854 Mg\n0.333333 0.666667 0.585146 Mg\n0.666667 0.333333 0.414854 Mg\n0.666667 0.333333 0.085146 Mg\n0.666667 0.333333 0.750000 Sb\n0.333333 0.666667 0.250000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 3.7636784604671525,
"density_atomic": 0.03991090239856659,
"volume": 150.3348618901559,
"volume_molar": 15.08896165729464,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4547681190476192,
"spacegroup": 194
},
{
"id": "jvasp-94406",
"created_at": "2022-09-04T14:36:14.553891Z",
"updated_at": "2022-09-04T14:36:14.553917Z",
"structure_string": "Mg5 Sb1\n1.0\n5.558547 -0.000000 0.000000\n-2.779273 4.813843 -0.000000\n-0.000000 0.000000 5.258962\nMg Sb\n5 1\ndirect\n0.000000 0.663317 0.000000 Mg\n0.663317 0.000000 0.000000 Mg\n0.336683 0.336683 0.000000 Mg\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.000000 0.500000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 2.870854574246107,
"density_atomic": 0.042638116662123506,
"volume": 140.71916092227283,
"volume_molar": 14.123843245050306,
"formula_full": "Mg5 Sb1",
"formula_reduced": "Mg5Sb",
"formula_anonymous": "AB5",
"energy_above_hull": 0.1149352904761906,
"spacegroup": 189
},
{
"id": "jvasp-94407",
"created_at": "2022-09-04T14:36:16.118595Z",
"updated_at": "2022-09-04T14:36:16.118616Z",
"structure_string": "Mg4 Sb2\n1.0\n6.443522 0.000000 0.000000\n-3.221760 5.580254 -0.000000\n0.000000 0.000000 4.252987\nMg Sb\n4 2\ndirect\n-0.000000 0.353759 0.000000 Mg\n0.646241 0.646241 -0.000000 Mg\n0.353759 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666666 0.500000 Sb\n",
"nsites": 6,
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"elements": [
"Mg",
"Sb"
],
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"density": 3.699992793626819,
"density_atomic": 0.039235565102846405,
"volume": 152.92248204588037,
"volume_molar": 15.348678537481073,
"formula_full": "Mg4 Sb2",
"formula_reduced": "Mg2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 0.4365847857142859,
"spacegroup": 189
},
{
"id": "jvasp-90584",
"created_at": "2022-09-04T14:37:51.752991Z",
"updated_at": "2022-09-04T14:37:51.753012Z",
"structure_string": "Mg4 Sb4\n1.0\n11.995066 0.000000 1.319001\n0.000000 4.103714 0.000000\n-1.909105 0.000000 3.938772\nMg Sb\n4 4\ndirect\n0.863623 0.499999 0.720076 Mg\n0.636377 0.000000 0.279923 Mg\n0.363623 0.000000 0.720077 Mg\n0.136377 0.499999 0.279923 Mg\n0.616774 0.499999 0.756351 Sb\n0.883226 0.000000 0.243648 Sb\n0.116774 0.000000 0.756351 Sb\n0.383226 0.499999 0.243649 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.750763323906895,
"density_atomic": 0.0391740190516547,
"volume": 204.21698344127606,
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"formula_full": "Mg4 Sb4",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.4984726142857144,
"spacegroup": 12
},
{
"id": "jvasp-91873",
"created_at": "2022-09-04T14:36:17.411952Z",
"updated_at": "2022-09-04T14:36:17.411979Z",
"structure_string": "Mg7 Sb1\n1.0\n6.362579 -0.000000 0.000000\n-3.181290 5.510155 -0.000000\n0.000000 -0.000000 5.240611\nMg Sb\n7 1\ndirect\n0.164529 0.832263 0.250000 Mg\n0.667736 0.335470 0.250000 Mg\n0.667736 0.832263 0.250000 Mg\n0.336842 0.163158 0.750000 Mg\n0.336841 0.673685 0.750000 Mg\n0.826315 0.163158 0.750000 Mg\n0.833333 0.666666 0.750000 Mg\n0.166667 0.333333 0.250000 Sb\n",
"nsites": 8,
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],
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"volume": 183.72951453091903,
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"formula_full": "Mg7 Sb1",
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"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-90583",
"created_at": "2022-09-04T14:38:08.662709Z",
"updated_at": "2022-09-04T14:38:08.662735Z",
"structure_string": "Mg6 Sb2\n1.0\n4.371299 -0.000000 -0.000000\n0.000000 4.371299 0.000000\n-0.000000 0.000000 9.668973\nMg Sb\n6 2\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.250000 Mg\n0.000000 0.500000 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.750000 Mg\n0.500000 0.000000 0.750000 Mg\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 8,
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"elements": [
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"spacegroup": 139
},
{
"id": "jvasp-92318",
"created_at": "2022-09-04T14:35:48.822457Z",
"updated_at": "2022-09-04T14:35:48.822482Z",
"structure_string": "Mg3 Sb3\n1.0\n3.858050 0.000000 0.000000\n-1.929024 3.341170 -0.000000\n-0.000000 -0.000000 11.910174\nMg Sb\n3 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.333333 Mg\n0.333334 0.666667 0.666667 Mg\n0.333334 0.666667 0.166667 Sb\n0.000000 0.000000 0.500000 Sb\n0.666667 0.333333 0.833333 Sb\n",
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"density": 4.739494066501169,
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"formula_full": "Mg3 Sb3",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5004176142857144,
"spacegroup": 166
}
]
}