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{
"id": "mp-1217487",
"created_at": "2022-09-04T14:42:53.204416Z",
"structure_string": "Te1 As2 O4\n1.0\n3.692341 0.000000 0.000000\n-1.730935 5.771172 0.000000\n-0.909611 -2.880885 5.772506\nTe As O\n1 2 4\ndirect\n0.778461 0.531707 0.664601 Te\n0.931776 0.480128 0.163835 As\n0.406966 0.960313 0.173556 As\n0.292055 0.178739 0.402368 O\n0.796845 0.667752 0.413125 O\n0.565108 0.433350 0.927106 O\n0.061738 0.914360 0.921410 O\n",
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{
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"structure_string": "Sc1 Nb1 Ni2 Sn2\n1.0\n7.137232 -2.141149 0.000000\n7.137232 2.141149 0.000000\n6.494894 0.000000 3.652528\nSc Nb Ni Sn\n1 1 2 2\ndirect\n0.999312 0.999312 0.999312 Sc\n0.501420 0.501420 0.501420 Nb\n0.128588 0.128588 0.128588 Ni\n0.621009 0.621009 0.621009 Ni\n0.750027 0.750027 0.750027 Sn\n0.249642 0.249642 0.249642 Sn\n",
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{
"id": "mp-1191973",
"created_at": "2022-09-04T14:42:53.231682Z",
"structure_string": "Ba8 Fe4 Se12\n1.0\n4.454208 0.000000 0.000000\n0.000000 12.686451 0.000000\n0.000000 0.000000 12.974471\nBa Fe Se\n8 4 12\ndirect\n0.250000 0.324177 0.981023 Ba\n0.250000 0.824177 0.518977 Ba\n0.750000 0.675823 0.018977 Ba\n0.750000 0.175823 0.481023 Ba\n0.250000 0.988362 0.175071 Ba\n0.250000 0.488362 0.324929 Ba\n0.750000 0.011638 0.824929 Ba\n0.750000 0.511638 0.675071 Ba\n0.250000 0.245319 0.698756 Fe\n0.250000 0.745319 0.801244 Fe\n0.750000 0.754681 0.301244 Fe\n0.750000 0.254681 0.198756 Fe\n0.250000 0.366326 0.553914 Se\n0.250000 0.866326 0.946086 Se\n0.750000 0.633674 0.446086 Se\n0.750000 0.133674 0.053914 Se\n0.250000 0.062358 0.640592 Se\n0.250000 0.562358 0.859408 Se\n0.750000 0.937642 0.359408 Se\n0.750000 0.437642 0.140592 Se\n0.250000 0.724510 0.211444 Se\n0.250000 0.224510 0.288556 Se\n0.750000 0.275490 0.788556 Se\n0.750000 0.775490 0.711444 Se\n",
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"volume": 733.1625948966864,
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"formula_full": "Ba8 Fe4 Se12",
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"updated_at": "2021-11-28T01:35:59.962000Z",
"spacegroup": 62
},
{
"id": "mp-1215376",
"created_at": "2022-09-04T14:42:53.333260Z",
"structure_string": "Zr2 Al2 Ni2\n1.0\n-3.045229 0.974118 -4.267714\n3.045229 -4.267714 0.974118\n-3.045229 -4.267714 0.974118\nZr Al Ni\n2 2 2\ndirect\n0.750000 0.375000 0.875000 Zr\n0.250000 0.375000 0.375000 Zr\n0.500000 0.767347 0.732653 Al\n0.000000 0.982653 0.017347 Al\n0.250000 0.875000 0.375000 Ni\n0.750000 0.375000 0.375000 Ni\n",
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"updated_at": "2021-11-28T01:35:58.566000Z",
"spacegroup": 74
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{
"id": "mp-1214618",
"created_at": "2022-09-04T14:42:53.351502Z",
"structure_string": "Ba6 Cd2 Ir4 O18\n1.0\n5.149232 2.993456 0.000000\n-5.149232 2.993456 0.000000\n0.000000 0.509622 14.775892\nBa Cd Ir O\n6 2 4 18\ndirect\n0.328620 0.659352 0.586060 Ba\n0.671380 0.340648 0.413940 Ba\n0.340648 0.671380 0.913940 Ba\n0.659352 0.328620 0.086060 Ba\n0.997584 0.002416 0.750000 Ba\n0.002416 0.997584 0.250000 Ba\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.651759 0.317275 0.663800 Ir\n0.348241 0.682725 0.336200 Ir\n0.682725 0.348241 0.836200 Ir\n0.317275 0.651759 0.163800 Ir\n0.395864 0.207858 0.925478 O\n0.604136 0.792142 0.074522 O\n0.792142 0.604136 0.574522 O\n0.207858 0.395864 0.425478 O\n0.512070 0.487930 0.750000 O\n0.487930 0.512070 0.250000 O\n0.787169 0.135881 0.591192 O\n0.212831 0.864119 0.408808 O\n0.864119 0.212831 0.908808 O\n0.135881 0.787169 0.091192 O\n0.324734 0.145296 0.599892 O\n0.675266 0.854704 0.400108 O\n0.854704 0.675266 0.900108 O\n0.145296 0.324734 0.099892 O\n0.512013 0.026645 0.760953 O\n0.487987 0.973355 0.239047 O\n0.973355 0.487987 0.739047 O\n0.026645 0.512013 0.260953 O\n",
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"volume": 455.51118160712923,
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"formula_full": "Ba6 Cd2 Ir4 O18",
"formula_reduced": "Ba3CdIr2O9",
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"spacegroup": 15
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{
"id": "mp-1044976",
"created_at": "2022-09-04T14:42:53.585068Z",
"structure_string": "Ba1 Al1 Cu1 W1 O5\n1.0\n3.819000 0.000000 0.000000\n0.000000 3.962593 0.000000\n0.000000 0.000000 9.721597\nBa Al Cu W O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.915362 Ba\n0.000000 0.000000 0.308319 Al\n0.500000 0.500000 0.391658 Cu\n0.500000 0.500000 0.682402 W\n0.000000 0.500000 0.677308 O\n0.500000 0.000000 0.700554 O\n0.000000 0.500000 0.351733 O\n0.500000 0.000000 0.265613 O\n0.500000 0.500000 0.894970 O\n",
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"formula_full": "Ba1 Al1 Cu1 W1 O5",
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{
"id": "mp-1035851",
"created_at": "2022-09-04T14:42:52.982883Z",
"structure_string": "Y1 Mg14 C1 O16\n1.0\n8.678265 0.000000 0.000000\n0.000000 8.678265 0.000000\n0.000000 0.000000 4.318583\nY Mg C O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.265431 0.000000 0.500000 Mg\n0.734569 0.000000 0.500000 Mg\n0.257636 0.500000 0.500000 Mg\n0.742364 0.500000 0.500000 Mg\n0.000000 0.265431 0.500000 Mg\n0.500000 0.257636 0.500000 Mg\n0.000000 0.734569 0.500000 Mg\n0.500000 0.742364 0.500000 Mg\n0.263130 0.263130 0.000000 Mg\n0.736870 0.263130 0.000000 Mg\n0.263130 0.736870 0.000000 Mg\n0.736870 0.736870 0.000000 Mg\n0.500000 0.500000 0.000000 C\n0.000000 0.257502 0.000000 O\n0.500000 0.233696 0.000000 O\n0.000000 0.742498 0.000000 O\n0.500000 0.766304 0.000000 O\n0.249774 0.249774 0.500000 O\n0.750226 0.249774 0.500000 O\n0.249774 0.750226 0.500000 O\n0.750226 0.750226 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.257502 0.000000 0.000000 O\n0.742498 0.000000 0.000000 O\n0.233696 0.500000 0.000000 O\n0.766304 0.500000 0.000000 O\n",
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