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{
"id": "jvasp-91813",
"created_at": "2022-09-04T14:35:50.902657Z",
"updated_at": "2022-09-04T14:35:50.902684Z",
"structure_string": "Mn3 Pd5\n1.0\n0.000000 -3.857093 0.000000\n-3.946721 0.000000 -3.791777\n3.946721 0.000000 -3.791777\nMn Pd\n3 5\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.745016 0.254985 Mn\n0.500000 0.254985 0.745016 Mn\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.231191 0.231191 Pd\n0.500000 0.768810 0.768810 Pd\n",
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{
"id": "jvasp-20498",
"created_at": "2022-09-04T14:38:18.231026Z",
"updated_at": "2022-09-04T14:38:18.231045Z",
"structure_string": "Mn1 Pd1\n1.0\n2.987902 0.000000 0.000000\n0.000000 2.987902 0.000000\n-0.000000 -0.000000 2.987902\nMn Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pd\n",
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{
"id": "jvasp-100648",
"created_at": "2022-09-04T14:36:34.606033Z",
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"structure_string": "Mn1 Pt2\n1.0\n2.731468 0.000000 0.000000\n-1.365735 2.365521 -0.000000\n0.000000 -0.000000 6.601049\nMn Pt\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.333334 0.666667 0.687210 Pt\n0.666668 0.333333 0.312790 Pt\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Mn-Pt",
"density": 17.329127957542376,
"density_atomic": 0.07033724817943253,
"volume": 42.651654388680456,
"volume_molar": 8.561808879183516,
"formula_full": "Mn1 Pt2",
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"spacegroup": 164
},
{
"id": "jvasp-79239",
"created_at": "2022-09-04T14:37:11.597844Z",
"updated_at": "2022-09-04T14:37:11.597869Z",
"structure_string": "Mn3 Pt1\n1.0\n3.638587 0.000000 0.000000\n0.000000 3.638587 0.000000\n-0.000000 0.000000 3.638587\nMn Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Pt",
"density": 12.40596075590308,
"density_atomic": 0.08303509765162041,
"volume": 48.172400745312316,
"volume_molar": 7.252524450884993,
"formula_full": "Mn3 Pt1",
"formula_reduced": "Mn3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8254082810344814,
"spacegroup": 221
},
{
"id": "jvasp-20110",
"created_at": "2022-09-04T14:36:42.210693Z",
"updated_at": "2022-09-04T14:36:42.210702Z",
"structure_string": "Mn1 Pt3\n1.0\n3.929689 0.000000 -0.000000\n-0.000000 3.929689 -0.000000\n0.000000 -0.000000 3.929689\nMn Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Pt",
"density": 17.51795758449329,
"density_atomic": 0.06591518081977374,
"volume": 60.68404804861052,
"volume_molar": 9.136196980883398,
"formula_full": "Mn1 Pt3",
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"spacegroup": 221
},
{
"id": "jvasp-19804",
"created_at": "2022-09-04T14:38:16.835554Z",
"updated_at": "2022-09-04T14:38:16.835574Z",
"structure_string": "Mn2 Pt2\n1.0\n3.765058 -0.000000 0.000000\n-0.000000 3.749826 0.000000\n0.000000 0.000000 3.749826\nMn Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500001 0.500001 Mn\n0.500000 0.000000 0.500001 Pt\n0.500000 0.500001 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 15.684240510981358,
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"volume": 52.941214838300894,
"volume_molar": 7.970486194041216,
"formula_full": "Mn2 Pt2",
"formula_reduced": "MnPt",
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"spacegroup": 123
},
{
"id": "jvasp-103279",
"created_at": "2022-09-04T14:37:13.487787Z",
"updated_at": "2022-09-04T14:37:13.487804Z",
"structure_string": "Mn3 Re1\n1.0\n3.558585 -0.000000 2.054550\n1.186195 3.355066 2.054550\n-0.000000 -0.000000 4.109100\nMn Re\n3 1\ndirect\n0.250001 0.250000 0.250000 Mn\n0.750002 0.750001 0.749999 Mn\n0.500001 0.500001 0.499999 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
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"elements": [
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"Re"
],
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"density": 11.881116145552797,
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"volume": 49.05972643722965,
"volume_molar": 7.386114456302256,
"formula_full": "Mn3 Re1",
"formula_reduced": "Mn3Re",
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"spacegroup": 225
},
{
"id": "jvasp-78442",
"created_at": "2022-09-04T14:37:14.731817Z",
"updated_at": "2022-09-04T14:37:14.731834Z",
"structure_string": "Mn1 Rh1\n1.0\n3.112765 0.000000 -0.000000\n0.000000 3.112765 -0.000000\n0.000000 0.000000 2.636552\nMn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500001 0.500000 Rh\n",
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"elements": [
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],
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"density": 10.259989425748595,
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"formula_full": "Mn1 Rh1",
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"spacegroup": 123
},
{
"id": "jvasp-14964",
"created_at": "2022-09-04T14:35:46.907621Z",
"updated_at": "2022-09-04T14:35:46.907647Z",
"structure_string": "Mn3 Rh1\n1.0\n3.596312 0.000000 -0.000000\n0.000000 3.596312 -0.000000\n0.000000 0.000000 3.596312\nMn Rh\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 9.557784522398222,
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"formula_full": "Mn3 Rh1",
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"formula_anonymous": "AB3",
"energy_above_hull": 3.9099186810344815,
"spacegroup": 221
},
{
"id": "jvasp-14704",
"created_at": "2022-09-04T14:35:42.754818Z",
"updated_at": "2022-09-04T14:35:42.754849Z",
"structure_string": "Mn1 Rh1\n1.0\n2.944952 -0.000000 0.000000\n0.000000 2.944952 0.000000\n0.000000 -0.000000 2.944952\nMn Rh\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 2,
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"formula_full": "Mn1 Rh1",
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},
{
"id": "jvasp-41275",
"created_at": "2022-09-04T14:37:17.676072Z",
"updated_at": "2022-09-04T14:37:17.676091Z",
"structure_string": "Mn2 Ru6\n1.0\n2.681651 -4.644756 -0.000000\n2.681651 4.644756 0.000000\n0.000000 -0.000000 4.207254\nMn Ru\n2 6\ndirect\n0.333333 0.666667 0.749999 Mn\n0.666667 0.333333 0.250000 Mn\n0.658534 0.829267 0.250000 Ru\n0.170732 0.829267 0.250000 Ru\n0.170733 0.341465 0.250000 Ru\n0.341465 0.170733 0.749999 Ru\n0.829267 0.170732 0.749999 Ru\n0.829267 0.658534 0.749999 Ru\n",
"nsites": 8,
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"formula_full": "Mn2 Ru6",
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"spacegroup": 194
},
{
"id": "jvasp-30608",
"created_at": "2022-09-04T14:37:01.005685Z",
"updated_at": "2022-09-04T14:37:01.005710Z",
"structure_string": "Mn1 S2\n1.0\n6.517804 -0.316309 -0.187344\n5.911187 2.763998 -0.187344\n5.911187 1.164114 2.513886\nMn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.593095 0.593093 0.593098 S\n0.406904 0.406903 0.406906 S\n",
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"formula_full": "Mn1 S2",
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"spacegroup": 166
}
]
}