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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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"created_at": "2022-09-04T14:36:16.118595Z",
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"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",
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{
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"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,
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"volume": 204.21698344127606,
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"formula_full": "Mg4 Sb4",
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"spacegroup": 12
},
{
"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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"spacegroup": 225
},
{
"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",
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"spacegroup": 44
},
{
"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",
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"formula_full": "Mg6 Sb2",
"formula_reduced": "Mg3Sb",
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"spacegroup": 194
},
{
"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",
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},
{
"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": [
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"spacegroup": 187
},
{
"id": "jvasp-110006",
"created_at": "2022-09-04T14:38:16.676302Z",
"updated_at": "2022-09-04T14:38:16.676323Z",
"structure_string": "Mg2 Sc4\n1.0\n5.929793 -0.015099 1.466791\n5.047450 3.112223 1.466791\n0.010507 0.002964 7.626672\nMg Sc\n2 4\ndirect\n0.360351 0.360350 0.026456 Mg\n0.639651 0.639647 0.973544 Mg\n0.024312 0.024309 0.692408 Sc\n0.303888 0.303886 0.633237 Sc\n0.696114 0.696111 0.366762 Sc\n0.975691 0.975688 0.307592 Sc\n",
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"volume": 141.27820417321735,
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"spacegroup": 12
},
{
"id": "jvasp-111280",
"created_at": "2022-09-04T14:38:48.760429Z",
"updated_at": "2022-09-04T14:38:48.760459Z",
"structure_string": "Mg5 Sc1\n1.0\n4.904062 0.004665 3.746939\n1.855224 4.539603 3.746939\n0.006939 0.004665 6.171656\nMg Sc\n5 1\ndirect\n0.340610 0.000001 0.659390 Mg\n0.659389 0.340611 0.000000 Mg\n-0.000001 0.659389 0.340611 Mg\n0.162922 0.162923 0.162923 Mg\n0.837076 0.837079 0.837078 Mg\n0.499999 0.500001 0.500001 Sc\n",
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"spacegroup": 155
},
{
"id": "jvasp-121228",
"created_at": "2022-09-04T14:38:53.450558Z",
"updated_at": "2022-09-04T14:38:53.450585Z",
"structure_string": "Mg1 Sc1\n1.0\n2.913478 0.000000 -0.000000\n0.000000 2.913478 -0.000000\n-0.000000 -0.000000 6.138110\nMg Sc\n1 1\ndirect\n0.000000 0.000000 0.749998 Mg\n0.000000 0.000000 0.250002 Sc\n",
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},
{
"id": "jvasp-100608",
"created_at": "2022-09-04T14:36:46.994295Z",
"updated_at": "2022-09-04T14:36:46.994313Z",
"structure_string": "Mg4 Sc2\n1.0\n6.002869 0.010404 1.566353\n5.164878 3.059178 1.566353\n-0.003424 -0.000941 7.560071\nMg Sc\n4 2\ndirect\n0.196456 0.196456 0.857903 Mg\n0.860170 0.860168 0.530789 Mg\n0.139832 0.139832 0.469210 Mg\n0.803545 0.803544 0.142096 Mg\n0.476383 0.476382 0.805659 Sc\n0.523619 0.523618 0.194340 Sc\n",
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}