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{
"id": "jvasp-27539",
"created_at": "2022-09-04T14:38:06.078073Z",
"updated_at": "2022-09-04T14:38:06.078093Z",
"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924758 0.000000 0.000000\n0.000000 5.256432 0.000000\n0.000000 0.000000 8.656663\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307455 Li\n0.500000 0.500000 0.807455 Li\n0.500000 0.000000 0.187697 Li\n0.000000 0.500000 0.687697 Li\n0.500000 0.000000 0.595693 Sn\n0.000000 0.500000 0.095693 Sn\n0.000000 0.000000 0.904508 Te\n0.500000 0.500000 0.404508 Te\n0.211426 0.687949 0.911921 O\n0.288575 0.187949 0.411922 O\n0.265862 0.665391 0.251991 O\n0.788575 0.312051 0.911921 O\n0.234138 0.165391 0.751990 O\n0.709815 0.338533 0.573361 O\n0.734138 0.334609 0.251991 O\n0.290185 0.661467 0.573361 O\n0.711426 0.812051 0.411922 O\n0.790185 0.838533 0.073361 O\n0.765863 0.834608 0.751990 O\n0.209815 0.161467 0.073361 O\n",
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{
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"structure_string": "Li4 Sn2 Te2 O12\n1.0\n4.924735 0.000000 0.000000\n0.000000 5.256435 0.000000\n0.000000 0.000000 8.656650\nLi Sn Te O\n4 2 2 12\ndirect\n0.000000 0.000000 0.307454 Li\n0.500000 0.500000 0.807454 Li\n0.500000 0.000000 0.187698 Li\n0.000000 0.500000 0.687698 Li\n0.500000 0.000000 0.595692 Sn\n0.000000 0.500000 0.095692 Sn\n0.000000 0.000000 0.904511 Te\n0.500000 0.500000 0.404511 Te\n0.211427 0.687950 0.911921 O\n0.288573 0.187951 0.411921 O\n0.265863 0.665389 0.251991 O\n0.788572 0.312049 0.911921 O\n0.234136 0.165390 0.751991 O\n0.709815 0.338533 0.573361 O\n0.734136 0.334610 0.251991 O\n0.290184 0.661466 0.573361 O\n0.711426 0.812048 0.411921 O\n0.790184 0.838532 0.073361 O\n0.765863 0.834609 0.751991 O\n0.209816 0.161467 0.073361 O\n",
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{
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"created_at": "2022-09-04T14:37:58.392033Z",
"updated_at": "2022-09-04T14:37:58.392065Z",
"structure_string": "K1 Sr3\n1.0\n0.000000 4.820886 4.820886\n4.820886 -0.000000 4.820886\n4.820886 4.820886 0.000000\nK Sr\n1 3\ndirect\n0.750001 0.750001 0.750001 K\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Sr\n",
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"elements": [
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"volume": 224.0838621418753,
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{
"id": "jvasp-16859",
"created_at": "2022-09-04T14:38:02.033842Z",
"updated_at": "2022-09-04T14:38:02.033861Z",
"structure_string": "Zn1 Cu2 Ge1 Te4\n1.0\n5.557773 -0.000000 -2.495567\n-1.120566 5.443636 -2.495567\n-0.008922 -0.010946 7.416658\nZn Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.750000 0.500000 Cu\n0.749999 0.250000 0.499999 Cu\n0.499999 0.500000 -0.000001 Ge\n0.382957 0.382958 0.266127 Te\n0.116830 0.617042 0.733873 Te\n0.617042 0.116830 0.733872 Te\n0.883169 0.883170 0.266126 Te\n",
"nsites": 8,
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{
"id": "jvasp-66589",
"created_at": "2022-09-04T14:36:10.936886Z",
"updated_at": "2022-09-04T14:36:10.936907Z",
"structure_string": "Ba4 Sb1 Pt1\n1.0\n0.000000 4.820849 4.820849\n4.820849 0.000000 4.820849\n4.820849 4.820849 -0.000000\nBa Sb Pt\n4 1 1\ndirect\n0.125484 0.624838 0.624838 Ba\n0.624838 0.624838 0.624838 Ba\n0.624838 0.125484 0.624838 Ba\n0.624838 0.624838 0.125484 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-45901",
"created_at": "2022-09-04T14:38:07.287382Z",
"updated_at": "2022-09-04T14:38:07.287414Z",
"structure_string": "Li4 Co4 Sn2 O12\n1.0\n5.142150 -0.012633 -0.000000\n2.547113 4.426697 -0.000000\n-0.000000 -0.000000 9.829995\nLi Co Sn O\n4 4 2 12\ndirect\n0.500000 0.170643 0.750000 Li\n0.499999 0.329357 0.250000 Li\n0.499999 0.670644 0.750000 Li\n0.499999 0.829358 0.250000 Li\n0.328153 0.335923 0.000000 Co\n0.328152 0.835923 0.500000 Co\n0.671847 0.164078 0.500000 Co\n0.671846 0.664078 0.000000 Co\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.640650 0.354381 0.893955 O\n0.640650 0.004969 0.106045 O\n0.359349 0.645620 0.106045 O\n0.359349 0.495032 0.606046 O\n0.359349 0.145620 0.393955 O\n-0.000000 0.146283 0.602549 O\n0.359348 0.995034 0.893955 O\n-0.000001 0.646284 0.897452 O\n-0.000000 0.353717 0.102548 O\n0.640650 0.504968 0.393955 O\n-0.000001 0.853718 0.397452 O\n0.640650 0.854381 0.606046 O\n",
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"elements": [
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"density_atomic": 0.09818188280251332,
"volume": 224.07392659449826,
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"formula_full": "Li4 Co4 Sn2 O12",
"formula_reduced": "Li2Co2SnO6",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 64
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{
"id": "jvasp-102224",
"created_at": "2022-09-04T14:36:57.701945Z",
"updated_at": "2022-09-04T14:36:57.701966Z",
"structure_string": "Cd1 Pb3 Se4\n1.0\n4.280142 0.020231 13.573881\n2.106206 3.726114 13.573881\n0.034488 0.020231 14.232662\nCd Pb Se\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.253270 0.253269 0.253270 Pb\n0.500001 0.499999 0.500000 Pb\n0.746732 0.746729 0.746730 Pb\n0.123294 0.123294 0.123294 Se\n0.369403 0.369401 0.369402 Se\n0.630599 0.630597 0.630598 Se\n0.876708 0.876704 0.876706 Se\n",
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"formula_full": "Cd1 Pb3 Se4",
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"spacegroup": 166
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{
"id": "jvasp-85723",
"created_at": "2022-09-04T14:35:49.000096Z",
"updated_at": "2022-09-04T14:35:49.000123Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n4.959122 -0.636696 -1.747931\n-2.079829 7.314735 -0.143363\n-1.671764 1.759039 6.807201\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.540793 0.749055 0.437851 K\n0.459206 0.250944 0.562149 K\n0.000000 0.000000 0.000000 Mg\n0.354945 0.704043 0.887016 Mo\n0.645055 0.295956 0.112984 Mo\n0.168828 0.379839 0.080216 H\n0.831172 0.620160 0.919785 H\n0.888308 0.678169 0.272831 H\n0.111692 0.321830 0.727169 H\n0.829956 0.192238 0.040666 O\n0.170044 0.807760 0.959334 O\n0.184480 0.210503 0.825030 O\n0.815520 0.789495 0.174970 O\n0.530155 0.893736 0.746546 O\n0.616675 0.533354 0.872224 O\n0.469845 0.106263 0.253454 O\n0.020859 0.566204 0.677300 O\n0.383325 0.466644 0.127777 O\n-0.020858 0.433795 0.322700 O\n",
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{
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"structure_string": "As8 Pt4\n1.0\n6.073467 0.000000 -0.000000\n-0.000000 6.073467 0.000000\n-0.000000 -0.000000 6.073467\nAs Pt\n8 4\ndirect\n0.383372 0.383372 0.383372 As\n0.116628 0.616628 0.883373 As\n0.883373 0.116628 0.616628 As\n0.616628 0.883373 0.116628 As\n0.616628 0.616628 0.616628 As\n0.883373 0.383372 0.116628 As\n0.116628 0.883373 0.383372 As\n0.383372 0.116628 0.883373 As\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:38.555422Z",
"updated_at": "2022-09-04T14:38:38.555448Z",
"structure_string": "Ba2 Y2 Co4 O11\n1.0\n3.779318 0.000000 0.000000\n-0.000000 7.485717 0.000000\n0.000000 0.000000 7.918754\nBa Y Co O\n2 2 4 11\ndirect\n0.500000 0.000000 0.254080 Ba\n0.500000 0.000000 0.745919 Ba\n0.500000 0.500000 0.228194 Y\n0.500000 0.500000 0.771805 Y\n0.000000 0.250172 0.000000 Co\n0.000000 0.749829 0.000000 Co\n0.000000 0.261115 0.500000 Co\n0.000000 0.738886 0.500000 Co\n0.000000 0.298586 0.736219 O\n0.000000 0.701414 0.263781 O\n0.000000 0.701414 0.736219 O\n0.000000 0.298586 0.263781 O\n0.500000 0.312779 0.500000 O\n0.500000 0.275121 0.000000 O\n0.500000 0.687222 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.500000 0.724879 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Ba1 Mg7\n1.0\n7.017651 -0.000000 -0.000000\n-3.508825 6.077463 -0.000000\n-0.000000 0.000000 5.252769\nBa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ba\n0.181680 0.840840 0.250000 Mg\n0.659160 0.318319 0.250000 Mg\n0.659159 0.840840 0.250000 Mg\n0.349816 0.150184 0.750000 Mg\n0.349816 0.699633 0.750000 Mg\n0.800366 0.150184 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:38:51.087073Z",
"updated_at": "2022-09-04T14:38:51.087102Z",
"structure_string": "Cr4 O12\n1.0\n5.034092 0.000000 0.000000\n0.000000 5.634492 0.000000\n-0.000000 0.000000 7.898025\nCr O\n4 12\ndirect\n0.559946 0.263458 0.311288 Cr\n0.059946 0.236542 0.811288 Cr\n0.940054 0.763458 0.311288 Cr\n0.440054 0.736542 0.811288 Cr\n0.877038 0.198556 0.649266 O\n0.316552 0.030316 0.811294 O\n0.377003 0.301444 0.473299 O\n0.877003 0.198556 0.973298 O\n0.816552 0.469684 0.311294 O\n0.377038 0.301444 0.149267 O\n0.622962 0.698556 0.649266 O\n0.183447 0.530316 0.811294 O\n0.122997 0.801444 0.473299 O\n0.622997 0.698556 0.973298 O\n0.683447 0.969684 0.311294 O\n0.122962 0.801444 0.149267 O\n",
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"volume": 224.0239337115606,
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"formula_full": "Cr4 O12",
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]
}