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{
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{
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{
"id": "mp-771768",
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{
"id": "mp-772268",
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"structure_string": "Co3 S6 O24\n1.0\n7.859457 -4.188674 0.000000\n7.859457 4.188674 0.000000\n5.627116 0.000000 6.903015\nCo S O\n3 6 24\ndirect\n0.852138 0.852138 0.852138 Co\n0.354965 0.354965 0.354965 Co\n0.148468 0.148468 0.148468 Co\n0.252259 0.537211 0.957312 S\n0.957312 0.252259 0.537211 S\n0.537211 0.957312 0.252259 S\n0.461422 0.042563 0.746633 S\n0.042563 0.746633 0.461422 S\n0.746633 0.461422 0.042563 S\n0.706004 0.490022 0.888439 O\n0.490022 0.888439 0.706004 O\n0.045153 0.672801 0.985587 O\n0.888439 0.706004 0.490022 O\n0.277219 0.347230 0.978128 O\n0.373731 0.625577 0.762425 O\n0.762425 0.373731 0.625577 O\n0.985587 0.045153 0.672801 O\n0.625577 0.762425 0.373731 O\n0.326228 0.023126 0.951777 O\n0.651705 0.025699 0.718521 O\n0.025699 0.718521 0.651705 O\n0.978128 0.277219 0.347230 O\n0.347230 0.978128 0.277219 O\n0.672801 0.985587 0.045153 O\n0.378063 0.239408 0.615922 O\n0.023126 0.951777 0.326228 O\n0.239408 0.615922 0.378063 O\n0.615922 0.378063 0.239408 O\n0.718521 0.651705 0.025699 O\n0.109565 0.298258 0.511481 O\n0.951777 0.326228 0.023126 O\n0.511481 0.109565 0.298258 O\n0.298258 0.511481 0.109565 O\n",
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{
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"structure_string": "Co3 Rh1\n1.0\n1.301699 -2.254609 0.000000\n1.301699 2.254609 0.000000\n0.000000 0.000000 8.180983\nCo Rh\n3 1\ndirect\n0.333333 0.666667 0.500000 Co\n0.000000 0.000000 0.260902 Co\n0.000000 0.000000 0.739098 Co\n0.333333 0.666667 0.000000 Rh\n",
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{
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"structure_string": "Co3 Re25 B12\n1.0\n7.438242 0.000000 0.000000\n0.000000 4.944012 0.000000\n0.000000 0.027112 12.916490\nCo Re B\n3 25 12\ndirect\n0.500000 0.429574 0.334633 Co\n0.000000 0.432695 0.833814 Co\n0.000000 0.927510 0.166400 Co\n0.818161 0.458671 0.227060 Re\n0.313924 0.457398 0.728149 Re\n0.181839 0.458671 0.227060 Re\n0.686076 0.457398 0.728149 Re\n0.000000 0.455715 0.045087 Re\n0.500000 0.450530 0.542579 Re\n0.683557 0.958018 0.271124 Re\n0.179031 0.952484 0.775361 Re\n0.316443 0.958018 0.271124 Re\n0.820969 0.952484 0.775361 Re\n0.500000 0.952003 0.450003 Re\n0.000000 0.956246 0.957022 Re\n0.500000 0.912194 0.666014 Re\n0.185232 0.248733 0.436874 Re\n0.685382 0.248108 0.938648 Re\n0.814768 0.248733 0.436874 Re\n0.314618 0.248108 0.938648 Re\n0.500000 0.251747 0.124058 Re\n0.000000 0.247867 0.624658 Re\n0.313718 0.748519 0.063375 Re\n0.816162 0.749190 0.560426 Re\n0.686282 0.748519 0.063375 Re\n0.183838 0.749190 0.560426 Re\n0.000000 0.749735 0.374325 Re\n0.500000 0.748620 0.879268 Re\n0.208271 0.148104 0.097581 B\n0.714740 0.158159 0.594979 B\n0.791729 0.148104 0.097581 B\n0.285260 0.158159 0.594979 B\n0.000000 0.146078 0.304189 B\n0.500000 0.156162 0.809318 B\n0.290764 0.646492 0.401516 B\n0.792364 0.647164 0.904506 B\n0.709236 0.646492 0.401516 B\n0.207636 0.647164 0.904506 B\n0.500000 0.646753 0.194786 B\n0.000000 0.646421 0.694613 B\n",
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{
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{
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{
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"elements": [
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],
"chemical_system": "Co-O-P-W",
"density": 3.198257033003693,
"density_atomic": 0.07037879954890064,
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"formula_full": "Co3 P6 W1 O24",
"formula_reduced": "Co3P6WO24",
"formula_anonymous": "AB3C6D24",
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"formation_energy": null,
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"band_gap": 0.1457,
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"updated_at": "2021-11-28T01:36:16.041000Z",
"spacegroup": 146
},
{
"id": "mp-540169",
"created_at": "2022-09-04T14:42:27.819384Z",
"structure_string": "Co3 P4 O16\n1.0\n5.118248 0.000000 0.000000\n0.287525 7.758182 0.000000\n0.573690 0.656461 7.783031\nCo P O\n3 4 16\ndirect\n0.010349 0.478057 0.470651 Co\n0.603006 0.640969 0.912458 Co\n0.502627 0.030146 0.017252 Co\n0.535560 0.685489 0.297912 P\n0.970322 0.186882 0.202716 P\n0.032283 0.814815 0.805183 P\n0.481714 0.321919 0.689832 P\n0.053704 0.359841 0.256374 O\n0.789142 0.854083 0.939917 O\n0.066604 0.946673 0.655554 O\n0.566506 0.569838 0.141153 O\n0.211795 0.324230 0.607791 O\n0.306517 0.627366 0.423828 O\n0.798056 0.664377 0.387972 O\n0.702094 0.351635 0.548191 O\n0.182001 0.125723 0.065801 O\n0.526012 0.142496 0.782419 O\n0.445083 0.464580 0.818692 O\n0.918732 0.635858 0.763487 O\n0.909449 0.046328 0.350457 O\n0.710293 0.196896 0.110751 O\n0.288475 0.792357 0.902934 O\n0.496313 0.876720 0.236715 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Co-O-P",
"density": 2.9910838871610013,
"density_atomic": 0.07442139163683162,
"volume": 309.0509260057582,
"volume_molar": 8.091948601804436,
"formula_full": "Co3 P4 O16",
"formula_reduced": "Co3(PO4)4",
"formula_anonymous": "A3B4C16",
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"formation_energy": null,
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"updated_at": "2021-11-28T01:35:46.761000Z",
"spacegroup": 1
}
]
}