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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",
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"elements": [
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"formula_full": "Mg2 Sb3",
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},
{
"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",
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"formula_full": "Mg4 Sb2",
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"spacegroup": 71
},
{
"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": [
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],
"chemical_system": "Mg-Sb",
"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-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-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",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
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"density": 4.739494066501169,
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"volume": 153.5269178690948,
"volume_molar": 15.40934516427747,
"formula_full": "Mg3 Sb3",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5004176142857144,
"spacegroup": 166
},
{
"id": "jvasp-90577",
"created_at": "2022-09-04T14:35:59.218775Z",
"updated_at": "2022-09-04T14:35:59.218795Z",
"structure_string": "Mg2 Sb6\n1.0\n3.283238 0.000000 0.000000\n0.000000 10.551991 0.000000\n0.000000 0.000000 6.336156\nMg Sb\n2 6\ndirect\n0.000000 0.000000 0.265482 Mg\n0.500000 0.500000 0.765482 Mg\n0.500000 0.000000 0.853902 Sb\n0.000000 0.307854 0.023642 Sb\n0.500000 0.192146 0.523642 Sb\n0.000000 0.500000 0.353902 Sb\n0.500000 0.807854 0.523642 Sb\n0.000000 0.692146 0.023642 Sb\n",
"nsites": 8,
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"elements": [
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"chemical_system": "Mg-Sb",
"density": 5.894116032397757,
"density_atomic": 0.036444109927372355,
"volume": 219.51421000383328,
"volume_molar": 16.52431839329105,
"formula_full": "Mg2 Sb6",
"formula_reduced": "MgSb3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.174239357142857,
"spacegroup": 44
},
{
"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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],
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"density_atomic": 0.043300071388929794,
"volume": 184.75720116353665,
"volume_molar": 13.90792339788067,
"formula_full": "Mg6 Sb2",
"formula_reduced": "Mg3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 139
},
{
"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,
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"elements": [
"Mg",
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],
"chemical_system": "Mg-Sb",
"density": 4.689771506126617,
"density_atomic": 0.03867109047600956,
"volume": 51.71822090821935,
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"formula_full": "Mg1 Sb1",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
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"spacegroup": 187
},
{
"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,
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"elements": [
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],
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"volume": 48.844606405367436,
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"formula_full": "Mg1 Sb1",
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"spacegroup": 123
},
{
"id": "jvasp-85880",
"created_at": "2022-09-04T14:36:07.354103Z",
"updated_at": "2022-09-04T14:36:07.354123Z",
"structure_string": "Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Mg-Sb",
"density": 3.967022808421784,
"density_atomic": 0.03774862097856173,
"volume": 132.4551697620851,
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"formula_full": "Mg3 Sb2",
"formula_reduced": "Mg3Sb2",
"formula_anonymous": "A2B3",
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"spacegroup": 164
},
{
"id": "jvasp-86379",
"created_at": "2022-09-04T14:36:03.906458Z",
"updated_at": "2022-09-04T14:36:03.906480Z",
"structure_string": "Mg3 Sb2\n1.0\n4.581611 0.000000 -0.000000\n-2.290806 3.967792 0.000000\n0.000000 -0.000000 7.286212\nMg Sb\n3 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333332 0.666667 0.367754 Mg\n0.666666 0.333333 0.632245 Mg\n0.333332 0.666667 0.772907 Sb\n0.666666 0.333333 0.227093 Sb\n",
"nsites": 5,
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"spacegroup": 164
},
{
"id": "jvasp-94403",
"created_at": "2022-09-04T14:36:08.650359Z",
"updated_at": "2022-09-04T14:36:08.650376Z",
"structure_string": "Mg4 Sb2\n1.0\n3.571023 -0.000000 0.000000\n-1.785511 3.092597 -0.000000\n-0.000000 0.000000 13.771762\nMg Sb\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.326140 Mg\n0.666667 0.333333 0.000000 Mg\n0.666667 0.333333 0.673860 Mg\n0.000000 0.000000 0.159583 Sb\n0.000000 0.000000 0.840417 Sb\n",
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"formula_full": "Mg4 Sb2",
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}
]
}