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{
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{
"id": "mp-759197",
"created_at": "2022-09-04T14:42:54.238441Z",
"structure_string": "Li8 Fe1 Ni9 O20\n1.0\n6.412244 0.000000 0.000000\n0.100072 7.589382 0.000000\n0.141761 2.960669 6.995410\nLi Fe Ni O\n8 1 9 20\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.687422 0.285840 0.311411 Li\n0.208449 0.291281 0.793229 Li\n0.894259 0.097437 0.103304 Li\n0.105741 0.902563 0.896696 Li\n0.791551 0.708719 0.206771 Li\n0.312578 0.714160 0.688589 Li\n0.000000 0.000000 0.500000 Fe\n0.099630 0.401888 0.399694 Ni\n0.900370 0.598112 0.600306 Ni\n0.602440 0.398892 0.902037 Ni\n0.303551 0.200429 0.201479 Ni\n0.798367 0.200437 0.704344 Ni\n0.500000 0.000000 0.000000 Ni\n0.201633 0.799563 0.295656 Ni\n0.696449 0.799571 0.798521 Ni\n0.397560 0.601108 0.097963 Ni\n0.182309 0.545556 0.541119 O\n0.817691 0.454444 0.458881 O\n0.676993 0.543868 0.047583 O\n0.385144 0.376209 0.324185 O\n0.323007 0.456132 0.952417 O\n0.009933 0.254677 0.262716 O\n0.881103 0.347384 0.850689 O\n0.726970 0.053374 0.558783 O\n0.592491 0.171242 0.120522 O\n0.521787 0.257092 0.761907 O\n0.273030 0.946626 0.441217 O\n0.222301 0.051370 0.050060 O\n0.924975 0.853072 0.350152 O\n0.075025 0.146928 0.649848 O\n0.777699 0.948630 0.949940 O\n0.478213 0.742908 0.238093 O\n0.407509 0.828758 0.879478 O\n0.118897 0.652616 0.149311 O\n0.990067 0.745323 0.737284 O\n0.614856 0.623791 0.675815 O\n",
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{
"id": "mp-1079166",
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"structure_string": "Tb2 Ge4 Pt4\n1.0\n4.314444 0.000000 0.000000\n0.000000 4.342745 0.000000\n0.000000 0.000000 10.028949\nTb Ge Pt\n2 4 4\ndirect\n0.251221 0.000000 0.748258 Tb\n0.751221 0.500000 0.251742 Tb\n0.226780 0.000000 0.133268 Ge\n0.726780 0.500000 0.866732 Ge\n0.269591 0.500000 0.498080 Ge\n0.769591 0.000000 0.501920 Ge\n0.270412 0.000000 0.374718 Pt\n0.770412 0.500000 0.625282 Pt\n0.225995 0.500000 0.999225 Pt\n0.725995 0.000000 0.000775 Pt\n",
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"volume": 187.90770489791907,
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"formula_full": "Tb2 Ge4 Pt4",
"formula_reduced": "Tb(GePt)2",
"formula_anonymous": "AB2C2",
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},
{
"id": "mp-1078190",
"created_at": "2022-09-04T14:42:54.254346Z",
"structure_string": "Er2 Cr2 C3\n1.0\n1.667864 5.226137 0.000000\n-1.667864 5.226137 0.000000\n0.000000 1.538396 5.289051\nEr Cr C\n2 2 3\ndirect\n0.392046 0.392046 0.816158 Er\n0.607954 0.607954 0.183842 Er\n0.155364 0.155364 0.612827 Cr\n0.844636 0.844636 0.387173 Cr\n0.000000 0.000000 0.500000 C\n0.717862 0.717862 0.732633 C\n0.282138 0.282138 0.267367 C\n",
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"formula_full": "Er2 Cr2 C3",
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{
"id": "mp-1247641",
"created_at": "2022-09-04T14:42:54.259755Z",
"structure_string": "Ca8 Ti3 Mn5 O23\n1.0\n7.715078 0.000000 0.000000\n0.000000 7.698441 0.000000\n0.000000 0.000000 7.715762\nCa Ti Mn O\n8 3 5 23\ndirect\n0.259630 0.267193 0.251799 Ca\n0.268222 0.277403 0.746096 Ca\n0.259630 0.732807 0.251799 Ca\n0.268222 0.722597 0.746096 Ca\n0.740370 0.267193 0.251799 Ca\n0.731778 0.277403 0.746096 Ca\n0.740370 0.732807 0.251799 Ca\n0.731778 0.722597 0.746096 Ca\n0.000000 0.000000 0.986910 Ti\n0.000000 0.000000 0.512551 Ti\n0.500000 0.000000 0.006645 Ti\n0.000000 0.500000 0.003916 Mn\n0.000000 0.500000 0.494696 Mn\n0.500000 0.000000 0.495812 Mn\n0.500000 0.500000 0.000848 Mn\n0.500000 0.500000 0.497260 Mn\n0.000000 0.000000 0.750199 O\n0.000000 0.500000 0.249717 O\n0.000000 0.500000 0.748978 O\n0.500000 0.000000 0.252723 O\n0.500000 0.000000 0.749503 O\n0.500000 0.500000 0.248629 O\n0.500000 0.500000 0.749765 O\n0.242161 0.000000 0.034987 O\n0.245318 0.000000 0.474765 O\n0.250581 0.500000 0.995310 O\n0.249818 0.500000 0.504463 O\n0.757839 0.000000 0.034987 O\n0.754682 0.000000 0.474765 O\n0.749419 0.500000 0.995310 O\n0.750182 0.500000 0.504463 O\n0.000000 0.245528 0.022408 O\n0.000000 0.244760 0.474216 O\n0.000000 0.754472 0.022408 O\n0.000000 0.755240 0.474216 O\n0.500000 0.251666 0.995197 O\n0.500000 0.249603 0.503788 O\n0.500000 0.748334 0.995197 O\n0.500000 0.750397 0.503788 O\n",
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"formula_full": "Ca8 Ti3 Mn5 O23",
"formula_reduced": "Ca8Ti3Mn5O23",
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"updated_at": "2021-11-28T01:35:56.534000Z",
"spacegroup": 25
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{
"id": "mp-15670",
"created_at": "2022-09-04T14:42:54.316908Z",
"structure_string": "Y5 S7\n1.0\n1.910125 6.441398 0.000000\n-1.910125 6.441398 0.000000\n0.000000 2.929822 11.262587\nY S\n5 7\ndirect\n0.111946 0.111946 0.578828 Y\n0.888054 0.888054 0.421172 Y\n0.300316 0.300316 0.812583 Y\n0.699684 0.699684 0.187417 Y\n0.000000 0.000000 0.000000 Y\n0.259314 0.259314 0.352683 S\n0.740686 0.740686 0.647317 S\n0.958177 0.958177 0.785115 S\n0.041823 0.041823 0.214885 S\n0.659087 0.659087 0.948812 S\n0.500000 0.500000 0.500000 S\n0.340913 0.340913 0.051188 S\n",
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"density": 4.008251035211342,
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"volume": 277.1469332400555,
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"formula_full": "Y5 S7",
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{
"id": "mp-752935",
"created_at": "2022-09-04T14:42:54.264928Z",
"structure_string": "Li2 Fe4 O8\n1.0\n2.975710 5.132662 0.000000\n-2.975710 5.132662 0.000000\n0.000000 0.114485 5.087434\nLi Fe O\n2 4 8\ndirect\n0.830983 0.169017 0.250000 Li\n0.169017 0.830983 0.750000 Li\n0.138259 0.398048 0.246067 Fe\n0.601952 0.861741 0.253933 Fe\n0.398048 0.138259 0.746067 Fe\n0.861741 0.601952 0.753933 Fe\n0.036130 0.269603 0.934978 O\n0.504814 0.786127 0.906309 O\n0.963870 0.730397 0.065022 O\n0.495186 0.213873 0.093691 O\n0.269603 0.036130 0.434978 O\n0.786127 0.504814 0.406309 O\n0.213873 0.495186 0.593691 O\n0.730397 0.963870 0.565022 O\n",
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{
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"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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]
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