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{
"id": "mp-752807",
"created_at": "2022-09-04T14:47:02.428089Z",
"structure_string": "Li2 Co4 O8\n1.0\n-2.835479 1.685719 -4.607145\n0.039885 -3.298982 -4.605959\n-2.788279 -4.934393 0.014496\nLi Co O\n2 4 8\ndirect\n0.999996 0.999998 0.499998 Li\n0.000006 0.500004 0.000002 Li\n0.000000 0.499999 0.500001 Co\n0.499997 0.000000 0.999997 Co\n0.499999 0.000000 0.500001 Co\n0.500004 0.500002 0.500002 Co\n0.716607 0.023485 0.739654 O\n0.736345 0.523822 0.259706 O\n0.263654 0.476179 0.740291 O\n0.283392 0.976516 0.260344 O\n0.734070 0.528983 0.705008 O\n0.266327 0.028541 0.736883 O\n0.733675 0.971458 0.263121 O\n0.265927 0.471013 0.294993 O\n",
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{
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"created_at": "2022-09-04T14:41:25.361074Z",
"structure_string": "Na4 Be4 O6\n1.0\n5.312408 0.000000 0.000000\n0.000000 4.943139 0.000000\n0.000000 2.101094 4.931692\nNa Be O\n4 4 6\ndirect\n0.371536 0.810292 0.928008 Na\n0.128464 0.810292 0.428008 Na\n0.871536 0.189708 0.571992 Na\n0.628464 0.189708 0.071992 Na\n0.603344 0.671033 0.568917 Be\n0.103344 0.328967 0.931083 Be\n0.896656 0.671033 0.068917 Be\n0.396656 0.328967 0.431083 Be\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.854368 0.589924 0.791468 O\n0.354368 0.410076 0.708532 O\n0.645632 0.589924 0.291468 O\n0.145632 0.410076 0.208532 O\n",
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"formula_full": "Na4 Be4 O6",
"formula_reduced": "Na2Be2O3",
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"updated_at": "2021-11-28T01:35:19.628000Z",
"spacegroup": 14
},
{
"id": "mp-1177635",
"created_at": "2022-09-04T14:42:03.920122Z",
"structure_string": "Li3 Mn2 Sb1 O6\n1.0\n1.569162 6.641307 0.000000\n-1.569162 6.641307 0.000000\n0.000000 1.331283 6.213128\nLi Mn Sb O\n3 2 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.164613 0.164613 0.198071 Li\n0.835387 0.835387 0.801929 Li\n0.173940 0.173940 0.651199 Mn\n0.826060 0.826060 0.348801 Mn\n0.500000 0.500000 0.000000 Sb\n0.650537 0.650537 0.919090 O\n0.339728 0.339728 0.578997 O\n0.349463 0.349463 0.080910 O\n0.003930 0.003930 0.214594 O\n0.996070 0.996070 0.785406 O\n0.660272 0.660272 0.421003 O\n",
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],
"chemical_system": "Li-Mn-O-Sb",
"density": 4.4682223191377375,
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"volume": 129.4975748270078,
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"formula_full": "Li3 Mn2 Sb1 O6",
"formula_reduced": "Li3Mn2SbO6",
"formula_anonymous": "AB2C3D6",
"energy": -82.35195049,
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"updated_at": "2021-11-28T01:35:32.937000Z",
"spacegroup": 12
},
{
"id": "mp-1385278",
"created_at": "2022-09-04T14:42:44.012861Z",
"structure_string": "Ni4 O8\n1.0\n-4.772120 4.772120 1.421587\n4.772120 -4.772120 1.421587\n4.772120 4.772120 -1.421587\nNi O\n4 8\ndirect\n0.832825 0.350471 0.183296 Ni\n0.649529 0.832825 0.482353 Ni\n0.350471 0.167175 0.517647 Ni\n0.167175 0.649529 0.816704 Ni\n0.544405 0.176830 0.721235 O\n0.823170 0.544405 0.367576 O\n0.176830 0.455595 0.632424 O\n0.455595 0.823170 0.278765 O\n0.203373 0.847507 0.050880 O\n0.152493 0.203373 0.355866 O\n0.796627 0.152493 0.949120 O\n0.847507 0.796627 0.644134 O\n",
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"elements": [
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"density": 4.651819762364873,
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"volume": 129.49593821695285,
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"formula_full": "Ni4 O8",
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"formula_anonymous": "AB2",
"energy": -70.10085136000001,
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{
"id": "mp-1206597",
"created_at": "2022-09-04T14:45:07.370655Z",
"structure_string": "Ce2 Al2 Si2\n1.0\n-2.101920 2.101920 7.327506\n2.101920 -2.101920 7.327506\n2.101920 2.101920 -7.327506\nCe Al Si\n2 2 2\ndirect\n0.581783 0.581783 0.000000 Ce\n0.331783 0.831783 0.500000 Ce\n0.165842 0.165842 0.000000 Al\n0.915842 0.415842 0.500000 Al\n0.999375 0.999375 0.000000 Si\n0.749375 0.249375 0.500000 Si\n",
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"density": 5.005790027083184,
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"volume": 129.49366992200845,
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"formula_full": "Ce2 Al2 Si2",
"formula_reduced": "CeAlSi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:49.259000Z",
"spacegroup": 109
},
{
"id": "mp-8948",
"created_at": "2022-09-04T14:43:08.518752Z",
"structure_string": "Ce2 As2 Pd2\n1.0\n2.182186 -3.779658 0.000000\n2.182186 3.779658 0.000000\n0.000000 0.000000 7.849856\nCe As Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.750000 As\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
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"formula_full": "Ce2 As2 Pd2",
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"updated_at": "2021-11-28T01:36:02.636000Z",
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{
"id": "mp-1519158",
"created_at": "2022-09-04T14:46:13.705472Z",
"structure_string": "Mg1 Sn2 W1 O6\n1.0\n0.000000 -4.015387 -4.015387\n4.015387 -0.000000 -4.015387\n4.015387 -4.015387 0.000000\nMg Sn W O\n1 2 1 6\ndirect\n-0.000000 -0.000000 -0.000000 Mg\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 W\n0.742613 0.257387 0.257387 O\n0.257387 0.742613 0.742613 O\n0.742613 0.257387 0.742613 O\n0.257387 0.742613 0.257387 O\n0.742613 0.742613 0.257387 O\n0.257387 0.257387 0.742613 O\n",
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"density": 6.945197148150358,
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"volume": 129.4828415205011,
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"formula_full": "Mg1 Sn2 W1 O6",
"formula_reduced": "MgSn2WO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-752798",
"created_at": "2022-09-04T14:39:27.701445Z",
"structure_string": "Ce1 Th2 O6\n1.0\n-1.970195 2.783412 5.902556\n1.970195 -2.783412 5.902556\n1.970195 2.783412 -5.902556\nCe Th O\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Ce\n0.334705 0.834705 0.500000 Th\n0.665295 0.165295 0.500000 Th\n0.587942 0.335083 0.252859 O\n0.245618 0.000000 0.245618 O\n0.082224 0.335083 0.747141 O\n0.412058 0.664917 0.747141 O\n0.754382 0.000000 0.754382 O\n0.917776 0.664917 0.252859 O\n",
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{
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"structure_string": "K1 Pr1 Zn1 W1 O6\n1.0\n0.000000 -4.015272 -4.015272\n4.015272 0.000000 -4.015272\n4.015272 -4.015272 0.000000\nK Pr Zn W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 W\n0.741615 0.258385 0.258385 O\n0.258385 0.741615 0.741615 O\n0.741615 0.258385 0.741615 O\n0.258385 0.741615 0.258385 O\n0.741615 0.741615 0.258385 O\n0.258385 0.258385 0.741615 O\n",
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{
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{
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{
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]
}