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{
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{
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"structure_string": "Y6 Ga17 Pt5\n1.0\n2.170626 7.823463 0.000000\n-2.170626 7.823463 0.000000\n0.000000 3.596082 15.220728\nY Ga Pt\n6 17 5\ndirect\n0.750217 0.750217 0.747942 Y\n0.249783 0.249783 0.252058 Y\n0.898574 0.898574 0.900225 Y\n0.405989 0.405989 0.403097 Y\n0.594011 0.594011 0.596903 Y\n0.101426 0.101426 0.099775 Y\n0.679198 0.679198 0.960923 Ga\n0.172923 0.172923 0.459294 Ga\n0.827077 0.827077 0.540706 Ga\n0.320802 0.320802 0.039077 Ga\n0.957632 0.957632 0.673436 Ga\n0.460242 0.460242 0.178176 Ga\n0.539758 0.539758 0.821824 Ga\n0.042368 0.042368 0.326564 Ga\n0.233100 0.233100 0.603643 Ga\n0.739396 0.739396 0.107613 Ga\n0.260604 0.260604 0.892387 Ga\n0.766900 0.766900 0.396357 Ga\n0.102853 0.102853 0.737369 Ga\n0.607210 0.607210 0.234301 Ga\n0.392790 0.392790 0.765699 Ga\n0.897147 0.897147 0.262631 Ga\n0.500000 0.500000 0.000000 Ga\n0.396010 0.396010 0.602415 Pt\n0.907046 0.907046 0.094291 Pt\n0.092954 0.092954 0.905709 Pt\n0.603990 0.603990 0.397585 Pt\n0.000000 0.000000 0.500000 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
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],
"chemical_system": "Ga-Pt-Y",
"density": 8.654077623442793,
"density_atomic": 0.054163731551224024,
"volume": 516.9510888207487,
"volume_molar": 11.118400796120756,
"formula_full": "Y6 Ga17 Pt5",
"formula_reduced": "Y6Ga17Pt5",
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"formation_energy": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:13.737000Z",
"spacegroup": 12
},
{
"id": "mp-1188555",
"created_at": "2022-09-04T14:45:20.249930Z",
"structure_string": "Y12 Ga2 Co4\n1.0\n-4.679170 -4.764838 4.975625\n-4.679170 4.764838 -4.975625\n4.679170 -4.764838 -4.975625\nY Ga Co\n12 2 4\ndirect\n0.699505 0.266429 0.965934 Y\n0.300495 0.733571 0.034066 Y\n0.699505 0.733571 0.433076 Y\n0.300495 0.266429 0.566924 Y\n0.804997 0.124534 0.319537 Y\n0.804997 0.485460 0.680463 Y\n0.195003 0.875466 0.680463 Y\n0.195003 0.514540 0.319537 Y\n0.599028 0.781799 0.817229 Y\n0.964570 0.781799 0.182771 Y\n0.035430 0.218201 0.817229 Y\n0.400972 0.218201 0.182771 Y\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.872571 0.500000 0.372571 Co\n0.127429 0.500000 0.627429 Co\n0.000000 0.111845 0.111845 Co\n0.000000 0.888155 0.888155 Co\n",
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"elements": [
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"Ga",
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"chemical_system": "Co-Ga-Y",
"density": 5.396404714216388,
"density_atomic": 0.04056466642118122,
"volume": 443.7359305043152,
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"formula_full": "Y12 Ga2 Co4",
"formula_reduced": "Y6GaCo2",
"formula_anonymous": "AB2C6",
"energy": -117.13963239,
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"updated_at": "2021-11-28T01:36:59.112000Z",
"spacegroup": 71
},
{
"id": "mp-1216154",
"created_at": "2022-09-04T14:41:59.682815Z",
"structure_string": "Y6 Ge2 O13 F3\n1.0\n5.450921 0.000000 0.000000\n1.628159 5.792352 0.000000\n0.081359 0.155794 10.354036\nY Ge O F\n6 2 13 3\ndirect\n0.712621 0.807290 0.751912 Y\n0.282689 0.189110 0.251763 Y\n0.811848 0.304205 0.960207 Y\n0.184122 0.701321 0.451779 Y\n0.180413 0.709335 0.044153 Y\n0.807314 0.299184 0.549552 Y\n0.692707 0.517239 0.252082 Ge\n0.303932 0.481450 0.748448 Ge\n0.510186 0.395386 0.128964 O\n0.484547 0.610662 0.624631 O\n0.487749 0.602098 0.874217 O\n0.508474 0.392241 0.377708 O\n0.958418 0.463703 0.132068 O\n0.037705 0.535878 0.629334 O\n0.047331 0.529744 0.870050 O\n0.954635 0.458756 0.372769 O\n0.529119 0.818092 0.250644 O\n0.478894 0.184145 0.733903 O\n0.903006 0.114520 0.761245 O\n0.103136 0.873898 0.249115 O\n0.795219 0.938371 0.957258 O\n0.211899 0.066350 0.477776 F\n0.223454 0.072915 0.025798 F\n0.790581 0.934108 0.524622 F\n",
"nsites": 24,
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"elements": [
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"Ge",
"O",
"F"
],
"chemical_system": "F-Ge-O-Y",
"density": 4.793466570461539,
"density_atomic": 0.07341363651869973,
"volume": 326.91474143072566,
"volume_molar": 8.20302745589514,
"formula_full": "Y6 Ge2 O13 F3",
"formula_reduced": "Y6Ge2O13F3",
"formula_anonymous": "A2B3C6D13",
"energy": -197.09820032,
"energy_per_atom": -8.212425013333332,
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"updated_at": "2021-11-28T01:35:37.777000Z",
"spacegroup": 1
}
]
}