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{
"id": "mp-1077933",
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"structure_string": "Gd2 Cu4\n1.0\n-2.175086 3.505576 3.708498\n2.175086 -3.505576 3.708498\n2.175086 3.505576 -3.708498\nGd Cu\n2 4\ndirect\n0.712179 0.462179 0.250000 Gd\n0.287821 0.537821 0.750000 Gd\n0.885787 0.835001 0.050787 Cu\n0.114213 0.164999 0.949213 Cu\n0.715786 0.164999 0.550787 Cu\n0.284214 0.835001 0.449213 Cu\n",
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{
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{
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"structure_string": "Dy2 Ag2 Sn2\n1.0\n2.372678 -4.109600 0.000000\n2.372678 4.109600 0.000000\n0.000000 0.000000 7.416692\nDy Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.725040 Dy\n0.000000 0.000000 0.225040 Dy\n0.666667 0.333333 0.537234 Ag\n0.333333 0.666667 0.037234 Ag\n0.333333 0.666667 0.445726 Sn\n0.666667 0.333333 0.945726 Sn\n",
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"formula_full": "Dy2 Ag2 Sn2",
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{
"id": "mp-1238866",
"created_at": "2022-09-04T14:47:45.366476Z",
"structure_string": "Lu2 B2 C2\n1.0\n1.495534 -2.590341 0.000000\n1.495534 2.590341 0.000000\n0.000000 0.000000 7.744180\nLu B C\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Lu\n0.000000 0.000000 0.000000 Lu\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.250000 C\n0.666667 0.333333 0.750000 C\n",
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"formula_full": "Lu2 B2 C2",
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"spacegroup": 194
},
{
"id": "mp-1207375",
"created_at": "2022-09-04T14:48:00.013008Z",
"structure_string": "Er2 S2 Br2\n1.0\n10.643556 0.000000 0.000000\n0.000000 13.592218 0.000000\n0.000000 0.000000 34.238955\nEr S Br\n2 2 2\ndirect\n0.500000 0.500000 0.116074 Er\n0.500000 0.500000 0.883926 Er\n0.500000 0.500000 0.049826 S\n0.500000 0.500000 0.950174 S\n0.500000 0.500000 0.671677 Br\n0.500000 0.500000 0.328323 Br\n",
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"volume": 4953.333645569949,
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"formula_full": "Er2 S2 Br2",
"formula_reduced": "ErSBr",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:38:31.715000Z",
"spacegroup": 47
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{
"id": "mp-571071",
"created_at": "2022-09-04T14:48:06.986285Z",
"structure_string": "Ho1 Si2 Rh3\n1.0\n2.757884 -4.776795 0.000000\n2.757884 4.776795 0.000000\n0.000000 0.000000 3.684192\nHo Si Rh\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.500000 Rh\n",
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"density": 9.063392941184997,
"density_atomic": 0.06181108978992269,
"volume": 97.06995978217171,
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"formula_full": "Ho1 Si2 Rh3",
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"energy": -43.62340861,
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"updated_at": "2021-11-28T01:38:28.177000Z",
"spacegroup": 191
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{
"id": "mp-1209788",
"created_at": "2022-09-04T14:48:06.726995Z",
"structure_string": "Nd2 Mn1 Sb2 O1\n1.0\n3.448556 0.000000 0.000000\n0.000000 3.448556 0.000000\n0.000000 0.000000 16.308130\nNd Mn Sb O\n2 1 2 1\ndirect\n0.500000 0.500000 0.628772 Nd\n0.500000 0.500000 0.371228 Nd\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.165911 Sb\n0.500000 0.500000 0.834089 Sb\n0.500000 0.500000 0.500000 O\n",
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"density_atomic": 0.0309365955864899,
"volume": 193.94506364560092,
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"formula_full": "Nd2 Mn1 Sb2 O1",
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"formula_anonymous": "ABC2D2",
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{
"id": "mp-1094684",
"created_at": "2022-09-04T14:47:58.557612Z",
"structure_string": "Ce2 Mg4\n1.0\n1.588538 -2.751428 0.000000\n1.588538 2.751428 0.000000\n0.000000 0.000000 16.411054\nCe Mg\n2 4\ndirect\n0.666667 0.333333 0.591538 Ce\n0.333333 0.666667 0.408462 Ce\n0.666667 0.333333 0.921808 Mg\n0.333333 0.666667 0.768694 Mg\n0.666667 0.333333 0.231306 Mg\n0.333333 0.666667 0.078192 Mg\n",
"nsites": 6,
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"volume": 143.4571606735457,
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"formula_full": "Ce2 Mg4",
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"updated_at": "2021-11-28T01:38:26.176000Z",
"spacegroup": 164
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{
"id": "mp-1019262",
"created_at": "2022-09-04T14:47:58.060522Z",
"structure_string": "Ta2 N3 O1\n1.0\n2.718041 -4.707785 0.000000\n2.718041 4.707785 0.000000\n0.000000 0.000000 2.796731\nTa N O\n2 3 1\ndirect\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.500000 Ta\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 O\n",
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"volume": 71.57367489701562,
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"formula_full": "Ta2 N3 O1",
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"energy": -58.04007571,
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{
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{
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{
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"structure_string": "Ce2 Pt4\n1.0\n0.000000 3.885372 3.885372\n3.885372 0.000000 3.885372\n3.885372 3.885372 0.000000\nCe Pt\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.125000 0.125000 Pt\n",
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"formula_full": "Ce2 Pt4",
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]
}