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{
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{
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"created_at": "2022-09-04T14:48:13.332723Z",
"structure_string": "Cd4 Sn2 O8\n1.0\n-3.280891 3.292535 4.767196\n3.280891 -3.292535 4.767196\n3.280891 3.292535 -4.767196\nCd Sn O\n4 2 8\ndirect\n0.890356 0.140356 0.750000 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.109644 0.859644 0.250000 Cd\n0.500000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.751457 0.286122 0.034665 O\n0.751457 0.716792 0.465335 O\n0.770545 0.283550 0.486995 O\n0.296554 0.283550 0.013005 O\n0.703446 0.716450 0.986995 O\n0.229455 0.716450 0.513005 O\n0.248543 0.283208 0.534665 O\n0.248543 0.713878 0.965335 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "Sc20 Sb12\n1.0\n7.621725 0.000000 0.000000\n0.000000 8.772895 0.000000\n0.000000 0.000000 11.171340\nSc Sb\n20 12\ndirect\n0.026661 0.250000 0.510586 Sc\n0.973339 0.750000 0.489414 Sc\n0.473339 0.750000 0.010586 Sc\n0.526661 0.250000 0.989414 Sc\n0.353121 0.250000 0.284240 Sc\n0.646879 0.750000 0.715760 Sc\n0.146879 0.750000 0.784240 Sc\n0.853121 0.250000 0.215760 Sc\n0.186698 0.250000 0.779406 Sc\n0.813302 0.750000 0.220594 Sc\n0.313302 0.750000 0.279406 Sc\n0.686698 0.250000 0.720594 Sc\n0.195997 0.062418 0.060707 Sc\n0.804003 0.937582 0.939293 Sc\n0.304003 0.937582 0.560707 Sc\n0.804003 0.562418 0.939293 Sc\n0.695997 0.062418 0.439293 Sc\n0.195997 0.437582 0.060707 Sc\n0.695997 0.437582 0.439293 Sc\n0.304003 0.562418 0.560707 Sc\n0.411959 0.250000 0.539913 Sb\n0.588041 0.750000 0.460087 Sb\n0.088041 0.750000 0.039913 Sb\n0.911959 0.250000 0.960087 Sb\n0.066224 0.003897 0.326551 Sb\n0.933776 0.996103 0.673449 Sb\n0.433776 0.996103 0.826551 Sb\n0.933776 0.503897 0.673449 Sb\n0.566224 0.003897 0.173449 Sb\n0.066224 0.496103 0.326551 Sb\n0.566224 0.496103 0.173449 Sb\n0.433776 0.503897 0.826551 Sb\n",
"nsites": 32,
"nelements": 2,
"elements": [
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],
"chemical_system": "Sb-Sc",
"density": 5.2469081746211454,
"density_atomic": 0.04283990530485791,
"volume": 746.9671039718966,
"volume_molar": 14.05731576002599,
"formula_full": "Sc20 Sb12",
"formula_reduced": "Sc5Sb3",
"formula_anonymous": "A3B5",
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"updated_at": "2021-11-28T01:35:32.033000Z",
"spacegroup": 62
},
{
"id": "mp-1094665",
"created_at": "2022-09-04T14:48:26.536078Z",
"structure_string": "Li1 Mg3\n1.0\n1.584155 -2.743838 0.000000\n1.584155 2.743838 0.000000\n0.000000 0.000000 10.061941\nLi Mg\n1 3\ndirect\n0.666667 0.333333 0.500000 Li\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.745287 Mg\n0.000000 0.000000 0.254713 Mg\n",
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"elements": [
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],
"chemical_system": "Li-Mg",
"density": 1.5159635144853785,
"density_atomic": 0.04572904064521217,
"volume": 87.47176725254131,
"volume_molar": 13.169182373019057,
"formula_full": "Li1 Mg3",
"formula_reduced": "LiMg3",
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"updated_at": "2021-11-28T01:39:17.011000Z",
"spacegroup": 187
},
{
"id": "mp-2223",
"created_at": "2022-09-04T14:44:43.510073Z",
"structure_string": "Ga8 Pt16\n1.0\n3.967060 0.000000 0.000000\n0.000000 5.575880 0.000000\n0.000000 0.000000 16.688768\nGa Pt\n8 16\ndirect\n0.500000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.794288 0.250000 Ga\n0.000000 0.205712 0.750000 Ga\n0.000000 0.316568 0.093146 Ga\n0.000000 0.683432 0.906854 Ga\n0.000000 0.316568 0.406854 Ga\n0.000000 0.683432 0.593146 Ga\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.268217 0.250000 Pt\n0.000000 0.731783 0.750000 Pt\n0.000000 0.795771 0.069145 Pt\n0.000000 0.204229 0.930855 Pt\n0.000000 0.795771 0.430855 Pt\n0.000000 0.204229 0.569145 Pt\n0.500000 0.051362 0.155953 Pt\n0.500000 0.948638 0.844047 Pt\n0.500000 0.051362 0.344047 Pt\n0.500000 0.948638 0.655953 Pt\n0.500000 0.557871 0.167997 Pt\n0.500000 0.442129 0.832003 Pt\n0.500000 0.557871 0.332003 Pt\n0.500000 0.442129 0.667997 Pt\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ga",
"Pt"
],
"chemical_system": "Ga-Pt",
"density": 16.549601090135752,
"density_atomic": 0.06501368410411731,
"volume": 369.1530534028002,
"volume_molar": 9.262881873231082,
"formula_full": "Ga8 Pt16",
"formula_reduced": "GaPt2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:42.691000Z",
"spacegroup": 51
}
]
}