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{
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{
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{
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"structure_string": "Cu20 Sn6\n1.0\n3.612399 -6.256859 0.000000\n3.612399 6.256859 0.000000\n0.000000 0.000000 8.780265\nCu Sn\n20 6\ndirect\n0.318110 0.000000 0.554771 Cu\n0.000000 0.000000 0.661247 Cu\n0.000000 0.681890 0.445229 Cu\n0.000000 0.316558 0.232676 Cu\n0.683442 0.683442 0.232676 Cu\n0.681890 0.681890 0.554771 Cu\n0.000000 0.000000 0.338753 Cu\n0.272025 0.000000 0.908555 Cu\n0.316558 0.000000 0.232676 Cu\n0.000000 0.272025 0.908555 Cu\n0.681890 0.000000 0.445229 Cu\n0.000000 0.318110 0.554771 Cu\n0.316558 0.316558 0.767324 Cu\n0.272025 0.272025 0.091445 Cu\n0.000000 0.683442 0.767324 Cu\n0.683442 0.000000 0.767324 Cu\n0.000000 0.727975 0.091445 Cu\n0.727975 0.727975 0.908555 Cu\n0.318110 0.318110 0.445229 Cu\n0.727975 0.000000 0.091445 Cu\n0.333333 0.666667 0.333227 Sn\n0.333333 0.666667 0.666773 Sn\n0.666667 0.333333 0.666773 Sn\n0.666667 0.333333 0.333227 Sn\n0.666667 0.333333 0.000000 Sn\n0.333333 0.666667 0.000000 Sn\n",
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{
"id": "mp-556667",
"created_at": "2022-09-04T14:40:22.107124Z",
"structure_string": "Fe4 Mo4 O16\n1.0\n6.462865 -0.005377 2.014848\n-0.003938 6.462665 2.013163\n0.022116 0.020117 7.805875\nFe Mo O\n4 4 16\ndirect\n0.696411 0.303435 0.500112 Fe\n0.305920 0.306025 0.845304 Fe\n0.694307 0.694153 0.154507 Fe\n0.303701 0.696134 0.500013 Fe\n0.712528 0.712301 0.641868 Mo\n0.287650 0.287293 0.358220 Mo\n0.286494 0.713562 0.999993 Mo\n0.713350 0.286772 0.999941 Mo\n0.650475 0.651449 0.915586 O\n0.348864 0.349316 0.084156 O\n0.350372 0.349515 0.561488 O\n0.650311 0.649285 0.438798 O\n0.640359 0.342567 0.239511 O\n0.342569 0.640814 0.239242 O\n0.359335 0.657657 0.760663 O\n0.657576 0.359625 0.760596 O\n0.984183 0.683142 0.582640 O\n0.683146 0.983876 0.583151 O\n0.016096 0.316858 0.416822 O\n0.316847 0.015977 0.417315 O\n0.318219 0.983941 0.928138 O\n0.983692 0.318384 0.928957 O\n0.016007 0.681747 0.072158 O\n0.681587 0.016170 0.070822 O\n",
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{
"id": "mp-15777",
"created_at": "2022-09-04T14:40:22.131948Z",
"structure_string": "Zn1 Ga2 Te4\n1.0\n-3.036493 3.036493 6.012401\n3.036493 -3.036493 6.012401\n3.036493 3.036493 -6.012401\nZn Ga Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.102523 0.599638 0.968951 Te\n0.866428 0.897477 0.497115 Te\n0.400362 0.369313 0.502885 Te\n0.630687 0.133572 0.031049 Te\n",
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{
"id": "mp-1220068",
"created_at": "2022-09-04T14:40:22.148315Z",
"structure_string": "Rb4 U12 Pt8 Se34\n1.0\n10.659916 0.000000 0.000000\n0.000000 10.659916 0.000000\n0.000000 0.000000 13.635931\nRb U Pt Se\n4 12 8 34\ndirect\n0.500000 0.500000 0.236020 Rb\n0.000000 0.000000 0.736020 Rb\n0.500000 0.500000 0.763980 Rb\n0.000000 0.000000 0.263980 Rb\n0.000000 0.500000 0.250000 U\n0.500000 0.000000 0.750000 U\n0.500000 0.000000 0.250000 U\n0.000000 0.500000 0.750000 U\n0.621134 0.744950 0.500000 U\n0.378866 0.255050 0.500000 U\n0.878866 0.244950 0.000000 U\n0.121134 0.755050 0.000000 U\n0.744950 0.378866 0.500000 U\n0.255050 0.621134 0.500000 U\n0.244950 0.121134 0.000000 U\n0.755050 0.878866 0.000000 U\n0.930528 0.637975 0.500000 Pt\n0.069472 0.362025 0.500000 Pt\n0.569472 0.137975 0.000000 Pt\n0.430528 0.862025 0.000000 Pt\n0.637975 0.069472 0.500000 Pt\n0.362025 0.930528 0.500000 Pt\n0.137975 0.430528 0.000000 Pt\n0.862025 0.569472 0.000000 Pt\n0.774716 0.590721 0.366608 Se\n0.225284 0.409279 0.366608 Se\n0.725284 0.090721 0.866608 Se\n0.274716 0.909279 0.866608 Se\n0.590721 0.225284 0.366608 Se\n0.409279 0.774716 0.366608 Se\n0.090721 0.274716 0.866608 Se\n0.909279 0.725284 0.866608 Se\n0.225284 0.409279 0.633392 Se\n0.774716 0.590721 0.633392 Se\n0.274716 0.909279 0.133392 Se\n0.725284 0.090721 0.133392 Se\n0.409279 0.774716 0.633392 Se\n0.590721 0.225284 0.633392 Se\n0.909279 0.725284 0.133392 Se\n0.090721 0.274716 0.133392 Se\n0.574206 0.784538 0.131811 Se\n0.425794 0.215462 0.131811 Se\n0.925794 0.284538 0.631811 Se\n0.074206 0.715462 0.631811 Se\n0.784538 0.425794 0.131811 Se\n0.215462 0.574206 0.131811 Se\n0.284538 0.074206 0.631811 Se\n0.715462 0.925794 0.631811 Se\n0.425794 0.215462 0.868189 Se\n0.574206 0.784538 0.868189 Se\n0.074206 0.715462 0.368189 Se\n0.925794 0.284538 0.368189 Se\n0.215462 0.574206 0.868189 Se\n0.784538 0.425794 0.868189 Se\n0.715462 0.925794 0.368189 Se\n0.284538 0.074206 0.368189 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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{
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"structure_string": "Ce2 Co4\n1.0\n0.000000 3.534599 3.534599\n3.534599 0.000000 3.534599\n3.534599 3.534599 0.000000\nCe Co\n2 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.125000 0.125000 0.625000 Co\n0.125000 0.625000 0.125000 Co\n0.125000 0.125000 0.125000 Co\n0.625000 0.125000 0.125000 Co\n",
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{
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{
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"structure_string": "Fe1 Ir3\n1.0\n-1.904076 1.904076 3.794736\n1.904076 -1.904076 3.794736\n1.904076 1.904076 -3.794736\nFe Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n",
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{
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],
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"density": 5.187719643290688,
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"formula_full": "Be1 Zn3 O4",
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{
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},
{
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"created_at": "2022-09-04T14:40:17.868509Z",
"structure_string": "Cu4 N24\n1.0\n3.117961 0.000000 0.000000\n0.000000 9.188912 0.000000\n0.000000 0.000000 13.601338\nCu N\n4 24\ndirect\n0.750000 0.080840 0.104405 Cu\n0.250000 0.919160 0.895595 Cu\n0.750000 0.419160 0.604405 Cu\n0.250000 0.580840 0.395595 Cu\n0.250000 0.260470 0.969375 N\n0.750000 0.329917 0.187759 N\n0.250000 0.503436 0.678696 N\n0.250000 0.347697 0.522235 N\n0.250000 0.140293 0.416909 N\n0.250000 0.996564 0.178696 N\n0.750000 0.760470 0.530625 N\n0.250000 0.589561 0.746858 N\n0.250000 0.152303 0.022235 N\n0.250000 0.670083 0.812241 N\n0.750000 0.003436 0.821304 N\n0.750000 0.640293 0.083091 N\n0.750000 0.739530 0.030625 N\n0.250000 0.910439 0.246858 N\n0.750000 0.859707 0.583091 N\n0.250000 0.829917 0.312241 N\n0.750000 0.847697 0.977765 N\n0.750000 0.170083 0.687759 N\n0.750000 0.089561 0.753142 N\n0.750000 0.410439 0.253142 N\n0.250000 0.359707 0.916909 N\n0.750000 0.496564 0.321304 N\n0.750000 0.652303 0.477765 N\n0.250000 0.239530 0.469375 N\n",
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"elements": [
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],
"chemical_system": "Cu-N",
"density": 2.5155817500439244,
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"volume": 389.6874363741296,
"volume_molar": 8.381259265173403,
"formula_full": "Cu4 N24",
"formula_reduced": "CuN6",
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"updated_at": "2021-11-28T01:34:48.839000Z",
"spacegroup": 62
}
]
}