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{
"id": "mp-1232302",
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"structure_string": "Rb2 Cu2 Cl6\n1.0\n-3.667114 3.667114 4.766579\n3.667114 -3.667114 4.766579\n3.667114 3.667114 -4.766579\nRb Cu Cl\n2 2 6\ndirect\n0.750000 0.750000 0.000000 Rb\n0.250000 0.250000 0.000000 Rb\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.284971 0.784971 0.069943 Cl\n0.784971 0.715029 0.500000 Cl\n0.215029 0.284971 0.500000 Cl\n0.715029 0.215029 0.930057 Cl\n0.750000 0.250000 0.500000 Cl\n0.250000 0.750000 0.500000 Cl\n",
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{
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"structure_string": "Rb4 Nb2 Cu2 Se8\n1.0\n0.000000 7.138794 12.584768\n2.901092 0.000000 12.584768\n2.901092 7.138794 0.000000\nRb Nb Cu Se\n4 2 2 8\ndirect\n0.821230 0.821230 0.178770 Rb\n0.178770 0.178770 0.821230 Rb\n0.071230 0.071230 0.428770 Rb\n0.428770 0.428770 0.071230 Rb\n0.250000 0.250000 0.250000 Nb\n0.000000 0.000000 0.000000 Nb\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Cu\n0.711183 0.399228 0.092117 Se\n0.797472 0.092117 0.399228 Se\n0.092117 0.797472 0.711183 Se\n0.399228 0.711183 0.797472 Se\n0.157883 0.452528 0.538817 Se\n0.850772 0.538817 0.452528 Se\n0.452528 0.157883 0.850772 Se\n0.538817 0.850772 0.157883 Se\n",
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{
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"structure_string": "P4 Cl8 O4 F4\n1.0\n5.760865 0.000000 0.000000\n0.000000 9.778510 0.000000\n0.000000 4.406903 9.011612\nP Cl O F\n4 8 4 4\ndirect\n0.368559 0.450563 0.225680 P\n0.631441 0.549437 0.774320 P\n0.131441 0.950563 0.225680 P\n0.868559 0.049437 0.774320 P\n0.586661 0.618764 0.197089 Cl\n0.702878 0.098175 0.583613 Cl\n0.913339 0.118764 0.197089 Cl\n0.413339 0.381236 0.802911 Cl\n0.086661 0.881236 0.802911 Cl\n0.202878 0.401825 0.416387 Cl\n0.297122 0.901825 0.416387 Cl\n0.797122 0.598175 0.583613 Cl\n0.028627 0.819225 0.213801 O\n0.528627 0.680775 0.786199 O\n0.471373 0.319225 0.213801 O\n0.971373 0.180775 0.786199 O\n0.174136 0.533460 0.108379 F\n0.674136 0.966540 0.891621 F\n0.825864 0.466540 0.891621 F\n0.325864 0.033460 0.108379 F\n",
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"elements": [
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"formula_full": "P4 Cl8 O4 F4",
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{
"id": "mp-1522073",
"created_at": "2022-09-04T14:40:54.178481Z",
"structure_string": "Ba4 Sr4 Sm4 Nb4 O24\n1.0\n8.530866 0.000000 0.000000\n0.000000 8.537057 0.000000\n0.000000 0.000000 8.539439\nBa Sr Sm Nb O\n4 4 4 4 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 -0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.000000 -0.000000 Sr\n0.251650 0.250444 0.251993 Sm\n0.748350 0.749556 0.251993 Sm\n0.748350 0.250444 0.748007 Sm\n0.251650 0.749556 0.748007 Sm\n0.746501 0.749107 0.750098 Nb\n0.253499 0.250893 0.750098 Nb\n0.253499 0.749107 0.249902 Nb\n0.746501 0.250893 0.249902 Nb\n0.982201 0.221638 0.273580 O\n0.017799 0.778362 0.273580 O\n0.017799 0.221638 0.726420 O\n0.982201 0.778362 0.726420 O\n0.285179 0.983149 0.217650 O\n0.285179 0.016851 0.782350 O\n0.714821 0.016851 0.217650 O\n0.714821 0.983149 0.782350 O\n0.225321 0.277815 0.984236 O\n0.774679 0.277815 0.015764 O\n0.225321 0.722185 0.015764 O\n0.774679 0.722185 0.984236 O\n0.516543 0.293881 0.217376 O\n0.483457 0.706119 0.217376 O\n0.483457 0.293881 0.782624 O\n0.516543 0.706119 0.782624 O\n0.219509 0.517342 0.291035 O\n0.219509 0.482658 0.708965 O\n0.780491 0.482658 0.291035 O\n0.780491 0.517342 0.708965 O\n0.289617 0.213518 0.518871 O\n0.710383 0.213518 0.481129 O\n0.289617 0.786482 0.481129 O\n0.710383 0.786482 0.518871 O\n",
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"formula_full": "Ba4 Sr4 Sm4 Nb4 O24",
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"spacegroup": 16
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{
"id": "mp-1208845",
"created_at": "2022-09-04T14:40:54.183129Z",
"structure_string": "Sr4 Ho2 Bi2 O12\n1.0\n4.851657 0.000000 -3.403996\n0.000000 6.101610 0.000000\n4.868520 0.000000 6.934171\nSr Ho Bi O\n4 2 2 12\ndirect\n0.012883 0.452175 0.252318 Sr\n0.987117 0.547825 0.747682 Sr\n0.487117 0.952175 0.247682 Sr\n0.512883 0.047825 0.752318 Sr\n0.000000 0.000000 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.905039 0.037754 0.243715 O\n0.094961 0.962246 0.756285 O\n0.594961 0.537754 0.256285 O\n0.405039 0.462246 0.743715 O\n0.198040 0.712791 0.053705 O\n0.801960 0.287209 0.946295 O\n0.301960 0.212791 0.446295 O\n0.698040 0.787209 0.553705 O\n0.291461 0.199875 0.046535 O\n0.708538 0.800125 0.953465 O\n0.208538 0.699875 0.453465 O\n0.791462 0.300125 0.546535 O\n",
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{
"id": "mp-998897",
"created_at": "2022-09-04T14:40:54.185174Z",
"structure_string": "Y1 Sb1\n1.0\n3.804791 0.000000 0.000000\n0.000000 3.804791 0.000000\n0.000000 0.000000 3.804791\nY Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "mp-753875",
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"structure_string": "Li8 Cr3 Sb1 O12\n1.0\n8.544518 0.000000 0.000000\n0.000000 5.016959 0.000000\n0.000000 0.049635 5.047588\nLi Cr Sb O\n8 3 1 12\ndirect\n0.076626 0.500000 0.000000 Li\n0.246667 0.500000 0.500000 Li\n0.932060 0.500000 0.500000 Li\n0.277668 0.000000 0.500000 Li\n0.579026 0.000000 0.500000 Li\n0.768660 0.500000 0.000000 Li\n0.741129 0.000000 0.000000 Li\n0.440770 0.000000 0.000000 Li\n0.601581 0.500000 0.500000 Cr\n0.428773 0.500000 0.000000 Cr\n0.907527 0.000000 0.500000 Cr\n0.097307 0.000000 0.000000 Sb\n0.258820 0.745942 0.853300 O\n0.927499 0.776604 0.829779 O\n0.581008 0.721687 0.823467 O\n0.435463 0.289504 0.673696 O\n0.083003 0.222186 0.669334 O\n0.750079 0.259201 0.647057 O\n0.750079 0.740799 0.352943 O\n0.083003 0.777814 0.330666 O\n0.435463 0.710496 0.326304 O\n0.581008 0.278313 0.176533 O\n0.927499 0.223396 0.170221 O\n0.258820 0.254058 0.146700 O\n",
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{
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{
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{
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