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{
"id": "mp-715",
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"structure_string": "Zr2 Ir4\n1.0\n0.000000 3.718669 3.718669\n3.718669 0.000000 3.718669\n3.718669 3.718669 0.000000\nZr Ir\n2 4\ndirect\n0.500000 0.500000 0.500000 Zr\n0.750000 0.750000 0.750000 Zr\n0.625000 0.125000 0.125000 Ir\n0.125000 0.125000 0.125000 Ir\n0.125000 0.125000 0.625000 Ir\n0.125000 0.625000 0.125000 Ir\n",
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{
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"structure_string": "Ca2 Si3 Ni1\n1.0\n1.997223 -3.459292 0.000000\n1.997223 3.459292 0.000000\n0.000000 0.000000 8.784109\nCa Si Ni\n2 3 1\ndirect\n0.333333 0.666667 0.235310 Ca\n0.333333 0.666667 0.764690 Ca\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666667 0.333333 0.000000 Ni\n",
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"volume": 121.37842368727095,
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"formula_full": "Ca2 Si3 Ni1",
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"spacegroup": 187
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{
"id": "mp-4938",
"created_at": "2022-09-04T14:45:29.414591Z",
"structure_string": "Sc1 Co3 B2\n1.0\n2.443421 -4.232130 0.000000\n2.443421 4.232130 0.000000\n0.000000 0.000000 2.981184\nSc Co B\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
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{
"id": "mp-1094369",
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"structure_string": "Mg4 Ti2\n1.0\n1.480064 5.773297 0.000000\n-1.480064 5.773297 0.000000\n0.000000 1.639419 7.150860\nMg Ti\n4 2\ndirect\n0.141732 0.141732 0.976868 Mg\n0.529428 0.529428 0.688014 Mg\n0.470572 0.470572 0.311986 Mg\n0.858268 0.858268 0.023132 Mg\n0.798536 0.798536 0.619168 Ti\n0.201464 0.201464 0.380832 Ti\n",
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{
"id": "mp-1094516",
"created_at": "2022-09-04T14:45:36.285295Z",
"structure_string": "Mg2 Sb4\n1.0\n2.941068 -4.697622 0.000000\n2.941068 4.697622 0.000000\n0.000000 0.000000 5.606951\nMg Sb\n2 4\ndirect\n0.684117 0.684117 0.750000 Mg\n0.315883 0.315883 0.250000 Mg\n0.033782 0.365434 0.750000 Sb\n0.365434 0.033782 0.750000 Sb\n0.634566 0.966218 0.250000 Sb\n0.966218 0.634566 0.250000 Sb\n",
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"spacegroup": 63
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{
"id": "mp-1228801",
"created_at": "2022-09-04T14:45:37.225826Z",
"structure_string": "As2 P2 Os2\n1.0\n0.000000 0.000000 3.001043\n5.309436 -0.094764 0.000000\n-0.108401 6.102543 0.000000\nAs P Os\n2 2 2\ndirect\n0.500000 0.671116 0.136634 As\n0.500000 0.328884 0.863366 As\n0.000000 0.165034 0.371792 P\n0.000000 0.834966 0.628208 P\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
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{
"id": "mp-1077096",
"created_at": "2022-09-04T14:45:29.715569Z",
"structure_string": "Re2 N4\n1.0\n2.855805 -3.866064 0.000000\n2.855805 3.866064 0.000000\n0.000000 0.000000 2.832038\nRe N\n2 4\ndirect\n0.500000 0.000000 0.000000 Re\n0.000000 0.500000 0.000000 Re\n0.688429 0.311571 0.500000 N\n0.311571 0.688429 0.500000 N\n0.885719 0.885719 0.000000 N\n0.114281 0.114281 0.000000 N\n",
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{
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"structure_string": "Lu2 Ge2 Au2\n1.0\n2.221639 -3.847991 0.000000\n2.221639 3.847991 0.000000\n0.000000 0.000000 7.168453\nLu Ge Au\n2 2 2\ndirect\n0.000000 0.000000 0.496185 Lu\n0.000000 0.000000 0.996185 Lu\n0.666667 0.333333 0.790431 Ge\n0.333333 0.666667 0.290431 Ge\n0.333333 0.666667 0.696083 Au\n0.666667 0.333333 0.196083 Au\n",
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{
"id": "mp-1070955",
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"structure_string": "Sm1 Si1 Ni4\n1.0\n2.570494 -4.138090 0.000000\n2.570494 4.138090 0.000000\n0.000000 0.000000 3.948054\nSm Si Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Si\n0.343514 0.656486 0.000000 Ni\n0.656486 0.343514 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
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{
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{
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"structure_string": "Nd2 Cd1 As2 O1\n1.0\n3.401383 0.000000 0.000000\n0.000000 3.401383 0.000000\n0.000000 0.000000 15.475329\nNd Cd As O\n2 1 2 1\ndirect\n0.500000 0.500000 0.636020 Nd\n0.500000 0.500000 0.363980 Nd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.500000 0.164401 As\n0.500000 0.500000 0.835599 As\n0.500000 0.500000 0.500000 O\n",
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]
}