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{
"id": "mp-1226302",
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"structure_string": "Cr3 Fe1 As4\n1.0\n0.000000 -3.391472 0.000000\n-5.609455 0.000000 0.008547\n0.009516 0.000000 -6.173016\nCr Fe As\n3 1 4\ndirect\n0.750000 0.995258 0.800893 Cr\n0.250000 0.503688 0.301985 Cr\n0.250000 0.002573 0.197590 Cr\n0.750000 0.497224 0.697118 Fe\n0.750000 0.299753 0.074370 As\n0.750000 0.798612 0.426157 As\n0.250000 0.697583 0.922750 As\n0.250000 0.205310 0.579137 As\n",
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{
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"structure_string": "Mn4 Cr2 N6\n1.0\n5.260349 0.124208 0.000000\n-2.523048 4.369553 0.000000\n0.000000 0.000000 5.040586\nMn Cr N\n4 2 6\ndirect\n0.375694 0.365358 0.476797 Mn\n0.624306 0.989664 0.476797 Mn\n0.624306 0.634642 0.976797 Mn\n0.375694 0.010336 0.976797 Mn\n0.000000 0.658727 0.534298 Cr\n0.000000 0.341273 0.034298 Cr\n0.292189 0.312426 0.839789 N\n0.707811 0.020236 0.839789 N\n0.707811 0.687574 0.339789 N\n0.292189 0.979764 0.339789 N\n0.000000 0.685445 0.904529 N\n0.000000 0.314555 0.404529 N\n",
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"formula_full": "Mn4 Cr2 N6",
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{
"id": "mp-1219269",
"created_at": "2022-09-04T14:43:05.887458Z",
"structure_string": "Si1 Ni6 Se2\n1.0\n3.578773 0.000000 0.000000\n0.000000 3.578773 0.000000\n1.789386 1.789386 9.169546\nSi Ni Se\n1 6 2\ndirect\n0.000069 0.000069 0.999862 Si\n0.498911 0.498911 0.002178 Ni\n0.906251 0.406251 0.187498 Ni\n0.406251 0.906251 0.187498 Ni\n0.090965 0.590965 0.818071 Ni\n0.590965 0.090965 0.818071 Ni\n0.198811 0.198811 0.602377 Ni\n0.324463 0.324463 0.351074 Se\n0.681714 0.681714 0.636571 Se\n",
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"density": 7.609377598921559,
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"volume": 117.4400257635527,
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"formula_full": "Si1 Ni6 Se2",
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"spacegroup": 107
},
{
"id": "mp-1246517",
"created_at": "2022-09-04T14:47:08.937535Z",
"structure_string": "Cr2 Ni4 N6\n1.0\n5.033852 -0.032984 0.000000\n-2.545921 4.409164 0.000000\n0.000000 0.000000 5.312275\nCr Ni N\n2 4 6\ndirect\n0.000000 0.664990 0.454816 Cr\n0.000000 0.335010 0.954816 Cr\n0.295185 0.331791 0.524806 Ni\n0.704815 0.036607 0.524806 Ni\n0.704815 0.668209 0.024806 Ni\n0.295185 0.963393 0.024806 Ni\n0.342511 0.329345 0.881671 N\n0.657489 0.986834 0.881671 N\n0.657489 0.670655 0.381671 N\n0.342511 0.013166 0.381671 N\n0.000000 0.660944 0.804232 N\n0.000000 0.339056 0.304232 N\n",
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"formula_full": "Cr2 Ni4 N6",
"formula_reduced": "CrNi2N3",
"formula_anonymous": "AB2C3",
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{
"id": "mp-19759",
"created_at": "2022-09-04T14:39:48.343625Z",
"structure_string": "Ba1 Y1 Co2 O5\n1.0\n3.907875 0.000000 0.000000\n0.000000 3.907875 0.000000\n0.000000 0.000000 7.691641\nBa Y Co O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.260783 Co\n0.500000 0.500000 0.739217 Co\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.683539 O\n0.500000 0.000000 0.316461 O\n0.000000 0.500000 0.316461 O\n0.000000 0.500000 0.683539 O\n",
"nsites": 9,
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"Co",
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"density": 5.995331292424629,
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"volume": 117.4627956603489,
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"formula_full": "Ba1 Y1 Co2 O5",
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"formula_anonymous": "ABC2D5",
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"updated_at": "2021-11-28T01:34:44.008000Z",
"spacegroup": 123
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{
"id": "mp-1187814",
"created_at": "2022-09-04T14:47:21.257384Z",
"structure_string": "Yb1 Ce1 Mg2\n1.0\n0.000000 3.887187 3.887187\n3.887187 0.000000 3.887187\n3.887187 3.887187 0.000000\nYb Ce Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ce\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"Ce",
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"density": 5.113762438377665,
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"volume": 117.4725230603781,
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"formula_full": "Yb1 Ce1 Mg2",
"formula_reduced": "YbCeMg2",
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{
"id": "mp-1184040",
"created_at": "2022-09-04T14:44:49.937794Z",
"structure_string": "Eu2 Ga2 O5\n1.0\n3.935874 0.000000 0.000000\n0.000000 3.935874 0.000000\n0.000000 0.000000 7.584103\nEu Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.249549 Ga\n0.500000 0.500000 0.750451 Ga\n0.500000 0.000000 0.214298 O\n0.500000 0.000000 0.785702 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.214298 O\n0.000000 0.500000 0.785702 O\n",
"nsites": 9,
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"formula_full": "Eu2 Ga2 O5",
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{
"id": "mp-1185003",
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"structure_string": "La3 Cl1\n1.0\n4.897745 0.000000 0.000000\n0.000000 4.897745 0.000000\n0.000000 0.000000 4.897745\nLa Cl\n3 1\ndirect\n0.000000 0.500001 0.500001 La\n0.500001 0.000000 0.500001 La\n0.500001 0.500001 0.000000 La\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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"volume": 117.48664708840074,
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{
"id": "mp-864741",
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{
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{
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"structure_string": "Lu2 Ti2 Si2\n1.0\n3.981453 0.000000 0.000000\n0.000000 3.981453 0.000000\n0.000000 0.000000 7.412935\nLu Ti Si\n2 2 2\ndirect\n0.000000 0.500000 0.344008 Lu\n0.500000 0.000000 0.655992 Lu\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.754107 Si\n0.500000 0.000000 0.245893 Si\n",
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{
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]
}