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{
"id": "mp-1211522",
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{
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"elements": [
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],
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"volume": 1411.5535547750433,
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"formula_full": "Sb8 Se4 I8 F44",
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"energy": -283.98787827,
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},
{
"id": "mp-1094726",
"created_at": "2022-09-04T14:47:25.633390Z",
"structure_string": "Mg1 Ti1\n1.0\n3.355945 0.000000 0.000000\n0.000000 3.355945 0.000000\n0.000000 0.000000 3.355945\nMg Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n",
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},
{
"id": "mp-1226096",
"created_at": "2022-09-04T14:47:25.636264Z",
"structure_string": "Co7 Ge4\n1.0\n1.994904 -3.455275 0.000000\n1.994904 3.455275 0.000000\n0.000000 0.000000 9.914808\nCo Ge\n7 4\ndirect\n0.000000 0.000000 0.880030 Co\n0.000000 0.000000 0.374300 Co\n0.000000 0.000000 0.119970 Co\n0.000000 0.000000 0.625700 Co\n0.666667 0.333333 0.500000 Co\n0.333333 0.666667 0.756379 Co\n0.333333 0.666667 0.243621 Co\n0.666667 0.333333 0.750666 Ge\n0.666667 0.333333 0.249334 Ge\n0.333333 0.666667 0.000000 Ge\n0.333333 0.666667 0.500000 Ge\n",
"nsites": 11,
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"elements": [
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"formula_full": "Co7 Ge4",
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"energy": -69.42931099,
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},
{
"id": "mp-1183867",
"created_at": "2022-09-04T14:47:25.640871Z",
"structure_string": "Ce2 Cd1 In1\n1.0\n0.000000 3.840537 3.840537\n3.840537 0.000000 3.840537\n3.840537 3.840537 0.000000\nCe Cd In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
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"formula_full": "Ce2 Cd1 In1",
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"spacegroup": 225
},
{
"id": "mp-1227786",
"created_at": "2022-09-04T14:47:25.647074Z",
"structure_string": "Ca2 Ti1 Si2 Sn1 O10\n1.0\n5.564105 0.000000 0.000000\n-1.503810 5.363121 0.000000\n-1.775494 -2.323261 6.604485\nCa Ti Si Sn O\n2 1 2 1 10\ndirect\n0.172825 0.837957 0.755256 Ca\n0.827175 0.162043 0.244744 Ca\n0.500000 0.500000 0.000000 Ti\n0.176144 0.814519 0.246484 Si\n0.823856 0.185481 0.753516 Si\n0.500000 0.500000 0.500000 Sn\n0.237810 0.109160 0.406558 O\n0.121437 0.251352 0.912845 O\n0.762190 0.890840 0.593442 O\n0.878563 0.748648 0.087155 O\n0.577254 0.421714 0.240852 O\n0.422746 0.578286 0.759148 O\n0.610389 0.189354 0.878286 O\n0.173456 0.607172 0.376747 O\n0.389611 0.810646 0.121714 O\n0.826544 0.392828 0.623253 O\n",
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"elements": [
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],
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"formula_full": "Ca2 Ti1 Si2 Sn1 O10",
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{
"id": "mp-1204212",
"created_at": "2022-09-04T14:47:25.651636Z",
"structure_string": "K8 Mo12 Pt2 O52\n1.0\n-10.622975 0.000000 0.000000\n4.497346 9.859958 0.000000\n-1.945755 -4.394235 -12.035558\nK Mo Pt O\n8 12 2 52\ndirect\n0.254072 0.755563 0.456324 K\n0.745928 0.244437 0.543676 K\n0.230597 0.220286 0.523504 K\n0.769403 0.779714 0.476496 K\n0.360812 0.278854 0.844024 K\n0.639188 0.721146 0.155976 K\n0.161059 0.562185 0.863047 K\n0.838941 0.437815 0.136953 K\n0.513487 0.176622 0.298662 Mo\n0.486513 0.823378 0.701338 Mo\n0.425548 0.444378 0.302830 Mo\n0.574452 0.555622 0.697170 Mo\n0.345566 0.837141 0.143827 Mo\n0.654434 0.162859 0.856173 Mo\n0.176192 0.379757 0.139158 Mo\n0.823808 0.620243 0.860842 Mo\n0.061532 0.879239 0.268163 Mo\n0.938468 0.120761 0.731837 Mo\n0.974421 0.146076 0.262649 Mo\n0.025579 0.853924 0.737351 Mo\n0.259857 0.101800 0.127983 Pt\n0.740143 0.898200 0.872017 Pt\n0.805329 0.010748 0.228063 O\n0.194671 0.989252 0.771937 O\n0.687334 0.290893 0.291272 O\n0.312666 0.709107 0.708728 O\n0.602019 0.553918 0.299777 O\n0.397981 0.446082 0.700223 O\n0.377392 0.719313 0.018448 O\n0.622608 0.280687 0.981552 O\n0.500934 0.115213 0.407752 O\n0.499066 0.884787 0.592248 O\n0.377326 0.784712 0.245773 O\n0.622674 0.215288 0.754227 O\n0.172370 0.400550 0.012508 O\n0.827630 0.599450 0.987492 O\n0.353941 0.549603 0.407853 O\n0.646059 0.450397 0.592147 O\n0.128734 0.513239 0.237749 O\n0.871266 0.486761 0.762251 O\n0.113668 0.870953 0.386014 O\n0.886332 0.129047 0.613986 O\n0.888638 0.756550 0.246247 O\n0.111362 0.243450 0.753753 O\n0.956189 0.284188 0.377327 O\n0.043811 0.715812 0.622673 O\n0.512871 0.012006 0.168489 O\n0.487129 0.987994 0.831511 O\n0.373759 0.462437 0.170535 O\n0.626241 0.537563 0.829465 O\n0.303953 0.949692 0.027440 O\n0.696047 0.050308 0.972560 O\n0.433552 0.321883 0.378317 O\n0.566448 0.678117 0.621683 O\n0.143620 0.763222 0.146268 O\n0.856380 0.236778 0.853732 O\n0.000921 0.218121 0.140933 O\n0.999079 0.781879 0.859067 O\n0.237022 0.178408 0.027067 O\n0.762978 0.821592 0.972933 O\n0.035570 0.060207 0.346141 O\n0.964430 0.939793 0.653859 O\n0.444565 0.239082 0.172659 O\n0.555435 0.760918 0.827341 O\n0.068083 0.985885 0.143385 O\n0.931917 0.014115 0.856615 O\n0.285710 0.031458 0.246357 O\n0.714290 0.968542 0.753643 O\n0.208787 0.261990 0.244829 O\n0.791213 0.738010 0.755171 O\n0.696302 0.961648 0.370094 O\n0.303698 0.038352 0.629906 O\n0.830322 0.515880 0.367432 O\n0.169678 0.484120 0.632568 O\n",
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"formula_full": "K8 Mo12 Pt2 O52",
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{
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"structure_string": "Na8 Co2 O8\n1.0\n5.803598 0.000000 0.000000\n-1.980431 -5.468823 0.000000\n-2.361226 0.690527 -7.719955\nNa Co O\n8 2 8\ndirect\n0.456916 0.229208 0.428838 Na\n0.266310 0.741035 0.161789 Na\n0.920285 0.716868 0.377100 Na\n0.288136 0.243008 0.015144 Na\n0.733690 0.258965 0.838211 Na\n0.543084 0.770792 0.571162 Na\n0.079715 0.283132 0.622900 Na\n0.711864 0.756992 0.984856 Na\n0.090318 0.779125 0.750108 Co\n0.909682 0.220875 0.249892 Co\n0.672091 0.998367 0.326892 O\n0.734131 0.396220 0.118272 O\n0.265869 0.603780 0.881728 O\n0.929483 0.974657 0.794541 O\n0.327909 0.001633 0.673108 O\n0.807726 0.527413 0.628988 O\n0.070517 0.025343 0.205459 O\n0.192274 0.472587 0.371012 O\n",
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{
"id": "mp-1196166",
"created_at": "2022-09-04T14:47:25.673686Z",
"structure_string": "Cu4 P16 S12 Br4\n1.0\n6.523969 0.000000 0.000000\n-2.736525 8.996093 0.000000\n-2.189534 -2.833351 15.426113\nCu P S Br\n4 16 12 4\ndirect\n0.999852 0.108042 0.792873 Cu\n0.000148 0.891958 0.207127 Cu\n0.648604 0.341225 0.917274 Cu\n0.351396 0.658775 0.082726 Cu\n0.140523 0.358918 0.507404 P\n0.859477 0.641082 0.492596 P\n0.461133 0.341840 0.684586 P\n0.538867 0.658160 0.315414 P\n0.347510 0.115906 0.592991 P\n0.652490 0.884094 0.407009 P\n0.121365 0.184254 0.673694 P\n0.878635 0.815746 0.326306 P\n0.986527 0.116270 0.176059 P\n0.013473 0.883730 0.823941 P\n0.808502 0.315530 0.049704 P\n0.191498 0.684470 0.950296 P\n0.147884 0.445407 0.119980 P\n0.852116 0.554593 0.880020 P\n0.864404 0.433337 0.190745 P\n0.135596 0.566663 0.809255 P\n0.408986 0.493849 0.604693 S\n0.591014 0.506151 0.395307 S\n0.251333 0.171654 0.473217 S\n0.748667 0.828346 0.526783 S\n0.925195 0.266462 0.589172 S\n0.074805 0.733538 0.410828 S\n0.781819 0.090834 0.055856 S\n0.218181 0.909166 0.944144 S\n0.274793 0.278347 0.158727 S\n0.725207 0.721653 0.841273 S\n0.866394 0.256220 0.258484 S\n0.133606 0.743780 0.741516 S\n0.635657 0.119369 0.808135 Br\n0.364343 0.880631 0.191865 Br\n0.256096 0.303080 0.914433 Br\n0.743904 0.696920 0.085567 Br\n",
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