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{
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{
"id": "jvasp-90584",
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"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",
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{
"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",
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{
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"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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"density": 2.6381338462832455,
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"volume": 183.72951453091903,
"volume_molar": 13.830562478395748,
"formula_full": "Mg7 Sb1",
"formula_reduced": "Mg7Sb",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"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": [
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"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",
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"spacegroup": 189
},
{
"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,
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"density": 3.5534278591550184,
"density_atomic": 0.043969164516721906,
"volume": 90.97284526474822,
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"formula_full": "Mg3 Sb1",
"formula_reduced": "Mg3Sb",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2712908714285715,
"spacegroup": 221
},
{
"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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"chemical_system": "Mg-Sb",
"density": 4.965679050620337,
"density_atomic": 0.04094617906021705,
"volume": 48.844606405367436,
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"formula_full": "Mg1 Sb1",
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"spacegroup": 123
},
{
"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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"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-92310",
"created_at": "2022-09-04T14:35:56.285662Z",
"updated_at": "2022-09-04T14:35:56.285689Z",
"structure_string": "Mg4 Sb4\n1.0\n5.943981 -0.000000 -0.000000\n-0.000000 5.943981 0.000000\n0.000000 0.000000 5.943981\nMg Sb\n4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n",
"nsites": 8,
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"elements": [
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"volume": 210.00625851568532,
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"formula_full": "Mg4 Sb4",
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"spacegroup": 225
},
{
"id": "jvasp-90582",
"created_at": "2022-09-04T14:35:50.879443Z",
"updated_at": "2022-09-04T14:35:50.879472Z",
"structure_string": "Mg6 Sb2\n1.0\n6.271576 0.000000 0.000000\n-3.135788 5.431344 -0.000000\n0.000000 -0.000000 5.410653\nMg Sb\n6 2\ndirect\n0.329063 0.164531 0.250000 Mg\n0.835469 0.164531 0.250000 Mg\n0.835468 0.670936 0.250000 Mg\n0.670937 0.835468 0.750000 Mg\n0.164531 0.329063 0.750000 Mg\n0.164531 0.835468 0.750000 Mg\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.04340665354441184,
"volume": 184.30354212435984,
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"formula_full": "Mg6 Sb2",
"formula_reduced": "Mg3Sb",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-1300",
"created_at": "2022-09-04T14:36:14.997271Z",
"updated_at": "2022-09-04T14:36:14.997301Z",
"structure_string": "Mg1 S1\n1.0\n3.190881 0.000000 1.842256\n1.063627 3.008392 1.842256\n0.000000 0.000000 3.684512\nMg S\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 S\n",
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"elements": [
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],
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},
{
"id": "jvasp-103280",
"created_at": "2022-09-04T14:36:45.422835Z",
"updated_at": "2022-09-04T14:36:45.422858Z",
"structure_string": "Mg2 S2\n1.0\n4.032474 0.000000 0.000000\n-2.016237 3.492225 0.000000\n0.000000 0.000000 6.474185\nMg S\n2 2\ndirect\n0.333332 0.666666 0.997387 Mg\n0.666666 0.333333 0.497388 Mg\n0.666666 0.333333 0.877610 S\n0.333332 0.666666 0.377611 S\n",
"nsites": 4,
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"spacegroup": 186
},
{
"id": "jvasp-101590",
"created_at": "2022-09-04T14:36:53.626528Z",
"updated_at": "2022-09-04T14:36:53.626549Z",
"structure_string": "Mg2 S4\n1.0\n3.939070 0.000585 0.000000\n-1.970462 3.410800 0.000000\n0.000000 -0.000000 9.193774\nMg S\n2 4\ndirect\n0.500284 0.499715 0.277748 Mg\n0.499716 0.500283 0.777748 Mg\n0.833510 0.166488 0.142780 S\n0.166922 0.833079 0.412728 S\n0.166490 0.833511 0.642780 S\n0.833078 0.166920 0.912728 S\n",
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}
]
}