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{
"id": "mp-1235616",
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{
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{
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"structure_string": "Y1 Fe3 B4 O12\n1.0\n3.773917 -4.823380 0.000000\n3.773917 4.823380 0.000000\n-2.390764 0.000000 5.638413\nY Fe B O\n1 3 4 12\ndirect\n0.500000 0.500000 0.500000 Y\n0.046687 0.953313 0.500000 Fe\n0.953313 0.500000 0.046687 Fe\n0.500000 0.046687 0.953313 Fe\n0.452367 0.547633 0.000000 B\n0.547633 0.000000 0.452367 B\n0.000000 0.452367 0.547633 B\n0.000000 0.000000 0.000000 B\n0.297823 0.525283 0.130761 O\n0.525283 0.130761 0.297823 O\n0.702177 0.869239 0.474717 O\n0.130761 0.297823 0.525283 O\n0.474717 0.702177 0.869239 O\n0.869239 0.474717 0.702177 O\n0.856643 0.143357 0.000000 O\n0.143357 0.000000 0.856643 O\n0.000000 0.856643 0.143357 O\n0.594957 0.405043 0.000000 O\n0.405043 0.000000 0.594957 O\n0.000000 0.594957 0.405043 O\n",
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"formula_full": "Y1 Fe3 B4 O12",
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{
"id": "mp-1376587",
"created_at": "2022-09-04T14:48:28.336704Z",
"structure_string": "Li2 Ti2 Si6 O16\n1.0\n7.099032 0.000000 0.000000\n-1.111134 7.103096 0.000000\n-2.036254 -3.796057 6.171646\nLi Ti Si O\n2 2 6 16\ndirect\n0.377285 0.801750 0.196099 Li\n0.622715 0.198250 0.803901 Li\n0.046584 0.122720 0.817943 Ti\n0.953416 0.877280 0.182057 Ti\n0.225442 0.732215 0.786400 Si\n0.810904 0.623225 0.538874 Si\n0.666318 0.741302 0.814029 Si\n0.333682 0.258698 0.185971 Si\n0.189096 0.376775 0.461126 Si\n0.774558 0.267785 0.213600 Si\n0.181862 0.869861 0.881976 O\n0.689114 0.713292 0.626233 O\n0.261503 0.483329 0.965285 O\n0.851231 0.364512 0.689256 O\n0.800091 0.927654 0.869437 O\n0.033437 0.749558 0.563596 O\n0.425668 0.814572 0.724755 O\n0.695802 0.715084 0.280291 O\n0.304198 0.284916 0.719709 O\n0.574332 0.185428 0.275245 O\n0.966563 0.250442 0.436404 O\n0.199909 0.072346 0.130563 O\n0.148769 0.635488 0.310744 O\n0.738497 0.516671 0.034715 O\n0.310886 0.286708 0.373767 O\n0.818138 0.130139 0.118024 O\n",
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"formula_full": "Li2 Ti2 Si6 O16",
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{
"id": "mp-510382",
"created_at": "2022-09-04T14:48:28.335174Z",
"structure_string": "Fe3 Pt1 N1\n1.0\n4.690942 0.000000 0.000000\n0.000000 4.690942 0.000000\n0.000000 0.000000 4.690942\nFe Pt N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 N\n",
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"formula_full": "Fe3 Pt1 N1",
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"formula_anonymous": "ABC3",
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{
"id": "mp-1189919",
"created_at": "2022-09-04T14:48:28.332954Z",
"structure_string": "Li3 P3 O12\n1.0\n4.064216 -6.289087 0.000000\n4.064216 6.289087 0.000000\n-5.667704 0.000000 4.893628\nLi P O\n3 3 12\ndirect\n0.709399 0.569114 0.260379 Li\n0.260379 0.709399 0.569114 Li\n0.569114 0.260379 0.709399 Li\n0.974553 0.879345 0.143753 P\n0.143753 0.974553 0.879345 P\n0.879345 0.143753 0.974553 P\n0.806769 0.952844 0.035015 O\n0.035015 0.806769 0.952844 O\n0.952844 0.035015 0.806769 O\n0.772663 0.612775 0.050577 O\n0.050577 0.772663 0.612775 O\n0.612775 0.050577 0.772663 O\n0.231702 0.119610 0.438810 O\n0.438810 0.231702 0.119610 O\n0.119610 0.438810 0.231702 O\n0.193166 0.502504 0.745423 O\n0.745423 0.193166 0.502504 O\n0.502504 0.745423 0.193166 O\n",
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{
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"structure_string": "Hg4 C6 I14 N18\n1.0\n6.390637 6.049507 0.000000\n-6.390637 6.049507 0.000000\n0.000000 4.167653 17.130885\nHg C I N\n4 6 14 18\ndirect\n0.064029 0.097341 0.133095 Hg\n0.902659 0.935971 0.366905 Hg\n0.935971 0.902659 0.866905 Hg\n0.097341 0.064029 0.633095 Hg\n0.423506 0.576494 0.250000 C\n0.576494 0.423506 0.750000 C\n0.569300 0.749182 0.052316 C\n0.250818 0.430700 0.447684 C\n0.430700 0.250818 0.947684 C\n0.749182 0.569300 0.552316 C\n0.914391 0.244043 0.016634 I\n0.755957 0.085609 0.483366 I\n0.085609 0.755957 0.983366 I\n0.244043 0.914391 0.516634 I\n0.981632 0.724803 0.152839 I\n0.275197 0.018368 0.347161 I\n0.018368 0.275197 0.847161 I\n0.724803 0.981632 0.652839 I\n0.350246 0.070414 0.175224 I\n0.929586 0.649754 0.324776 I\n0.649754 0.929586 0.824776 I\n0.070414 0.350246 0.675224 I\n0.826290 0.173710 0.250000 I\n0.173710 0.826290 0.750000 I\n0.530899 0.469101 0.250000 N\n0.469101 0.530899 0.750000 N\n0.293986 0.490839 0.259349 N\n0.509161 0.706014 0.240651 N\n0.706014 0.509161 0.740651 N\n0.490839 0.293986 0.759349 N\n0.514262 0.602124 0.079759 N\n0.397876 0.485738 0.420241 N\n0.485738 0.397876 0.920241 N\n0.602124 0.514262 0.579759 N\n0.649015 0.861632 0.021396 N\n0.138368 0.350985 0.478604 N\n0.350985 0.138368 0.978604 N\n0.861632 0.649015 0.521396 N\n0.392138 0.527709 0.092199 N\n0.472291 0.607862 0.407801 N\n0.607862 0.472291 0.907801 N\n0.527709 0.392138 0.592199 N\n",
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{
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"structure_string": "Ba2 Ca1 Cr1 O6\n1.0\n-0.000000 -4.153876 -4.153876\n4.153876 -0.000000 -4.153876\n4.153876 -4.153876 0.000000\nBa Ca Cr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 -0.000000 Ca\n0.500000 0.500000 0.500000 Cr\n0.724404 0.275596 0.275596 O\n0.275596 0.724404 0.724404 O\n0.724404 0.275596 0.724404 O\n0.275596 0.724404 0.275596 O\n0.724404 0.724404 0.275596 O\n0.275596 0.275596 0.724404 O\n",
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{
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"structure_string": "Mn4 Ag4 N4\n1.0\n6.140547 -0.091006 -1.175385\n0.961626 3.209505 0.000000\n-0.068212 0.020437 8.676492\nMn Ag N\n4 4 4\ndirect\n0.533165 0.733418 0.899971 Mn\n0.466835 0.266582 0.100029 Mn\n0.116994 0.441504 0.897654 Mn\n0.883007 0.558496 0.102346 Mn\n0.684795 0.657603 0.592565 Ag\n0.315205 0.342397 0.407435 Ag\n0.153554 0.923223 0.638678 Ag\n0.846446 0.076777 0.361322 Ag\n0.810804 0.594598 0.873196 N\n0.189196 0.405402 0.126804 N\n0.414962 0.292519 0.866585 N\n0.585038 0.707481 0.133415 N\n",
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{
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"structure_string": "Zn2 Cu2 Ge4 O12\n1.0\n4.804209 5.143641 0.000000\n-4.804209 5.143641 0.000000\n0.000000 1.938222 5.047054\nZn Cu Ge O\n2 2 4 12\ndirect\n0.762588 0.237412 0.750000 Zn\n0.237412 0.762588 0.250000 Zn\n0.107027 0.892973 0.750000 Cu\n0.892973 0.107027 0.250000 Cu\n0.208742 0.386504 0.756858 Ge\n0.613496 0.791258 0.743142 Ge\n0.791258 0.613496 0.243142 Ge\n0.386504 0.208742 0.256858 Ge\n0.404447 0.303756 0.524058 O\n0.696244 0.595553 0.975942 O\n0.595553 0.696244 0.475942 O\n0.303756 0.404447 0.024058 O\n0.622911 0.133657 0.115022 O\n0.866343 0.377089 0.384978 O\n0.377089 0.866343 0.884978 O\n0.133657 0.622911 0.615022 O\n0.021431 0.201641 0.879669 O\n0.798359 0.978569 0.620331 O\n0.978569 0.798359 0.120331 O\n0.201641 0.021431 0.379669 O\n",
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{
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"updated_at": "2021-11-28T01:39:21.291000Z",
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},
{
"id": "mp-757302",
"created_at": "2022-09-04T14:48:28.324597Z",
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"elements": [
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],
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"formula_full": "P12 W8 O52",
"formula_reduced": "P3W2O13",
"formula_anonymous": "A2B3C13",
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"updated_at": "2021-11-28T01:39:15.760000Z",
"spacegroup": 14
}
]
}