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{
"id": "mp-1236597",
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"structure_string": "Li1 Cr4 In4 O12\n1.0\n5.215291 0.042786 0.041838\n0.043949 5.544296 -0.033420\n0.060965 -0.044350 8.130288\nLi Cr In O\n1 4 4 12\ndirect\n0.367761 0.226205 0.350467 Li\n0.000042 0.506052 0.997122 Cr\n0.995333 0.489983 0.502959 Cr\n0.494622 0.014513 0.996262 Cr\n0.527937 0.965167 0.534338 Cr\n0.038794 0.940557 0.753250 In\n0.471125 0.438198 0.749826 In\n0.531339 0.603293 0.236854 In\n0.940137 0.058757 0.246981 In\n0.144907 0.443756 0.251276 O\n0.204052 0.191992 0.571031 O\n0.204724 0.220493 0.917823 O\n0.293671 0.684146 0.578504 O\n0.296095 0.714657 0.921228 O\n0.338779 0.953406 0.222506 O\n0.654031 0.076825 0.776099 O\n0.700761 0.306637 0.082253 O\n0.703615 0.277532 0.428511 O\n0.792771 0.802963 0.068514 O\n0.798354 0.769291 0.413794 O\n0.863654 0.565578 0.750402 O\n",
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{
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"structure_string": "Na8 W8 O28\n1.0\n3.692126 -6.054184 0.000000\n3.692126 6.054184 0.000000\n0.000000 0.000000 15.044393\nNa W O\n8 8 28\ndirect\n0.669349 0.330651 0.346053 Na\n0.250293 0.250293 0.000000 Na\n0.330651 0.669349 0.653947 Na\n0.749707 0.749707 0.000000 Na\n0.249707 0.249707 0.500000 Na\n0.750293 0.750293 0.500000 Na\n0.169349 0.830651 0.153947 Na\n0.830651 0.169349 0.846053 Na\n0.162311 0.337689 0.250000 W\n0.746082 0.253918 0.586336 W\n0.337689 0.162311 0.750000 W\n0.837689 0.662311 0.750000 W\n0.753918 0.246082 0.086336 W\n0.253918 0.746082 0.413664 W\n0.246082 0.753918 0.913664 W\n0.662311 0.837689 0.250000 W\n0.123672 0.876328 0.469182 O\n0.860287 0.139713 0.002269 O\n0.196825 0.208066 0.838848 O\n0.376328 0.623672 0.969182 O\n0.696825 0.708066 0.661152 O\n0.791934 0.803175 0.838848 O\n0.935110 0.471600 0.656613 O\n0.803175 0.791934 0.161152 O\n0.435110 0.971600 0.843387 O\n0.291934 0.303175 0.661152 O\n0.876667 0.123333 0.281511 O\n0.639713 0.360287 0.502269 O\n0.123333 0.876667 0.718489 O\n0.623672 0.376328 0.030818 O\n0.376667 0.623333 0.218489 O\n0.139713 0.860287 0.997731 O\n0.528400 0.064890 0.656613 O\n0.028400 0.564890 0.843387 O\n0.471600 0.935110 0.343387 O\n0.360287 0.639713 0.497731 O\n0.623333 0.376667 0.781511 O\n0.064890 0.528400 0.343387 O\n0.208066 0.196825 0.161152 O\n0.971600 0.435110 0.156613 O\n0.564890 0.028400 0.156613 O\n0.303175 0.291934 0.338848 O\n0.876328 0.123672 0.530818 O\n0.708066 0.696825 0.338848 O\n",
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"formula_full": "Na8 W8 O28",
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},
{
"id": "mp-1275836",
"created_at": "2022-09-04T14:43:21.776435Z",
"structure_string": "Li4 Cr6 Sn2 O16\n1.0\n3.006338 -5.206620 0.000091\n6.130872 0.068233 0.077590\n-2.958033 -1.707840 9.681700\nLi Cr Sn O\n4 6 2 16\ndirect\n0.317898 0.362491 0.557977 Li\n0.819633 0.362436 0.057994 Li\n0.180361 0.637578 0.942003 Li\n0.682096 0.637525 0.442030 Li\n0.250071 0.000902 0.750577 Cr\n0.749906 0.999123 0.249445 Cr\n0.000012 0.999948 0.499985 Cr\n0.750739 0.999373 0.749733 Cr\n0.249300 0.000606 0.250239 Cr\n0.500017 0.999990 0.000014 Cr\n0.753683 0.499957 0.749921 Sn\n0.246337 0.500015 0.250056 Sn\n0.104442 0.799573 0.625842 O\n0.596183 0.799273 0.125668 O\n0.403851 0.200698 0.874335 O\n0.895577 0.200388 0.374138 O\n0.884475 0.230818 0.857324 O\n0.384734 0.230639 0.357129 O\n0.663329 0.226498 0.622817 O\n0.156346 0.227655 0.126117 O\n0.115949 0.227765 0.626251 O\n0.610201 0.226455 0.122739 O\n0.389781 0.773590 0.877285 O\n0.884004 0.772240 0.373757 O\n0.843659 0.772381 0.873897 O\n0.336689 0.773482 0.377166 O\n0.615237 0.769396 0.642872 O\n0.115491 0.769205 0.142687 O\n",
"nsites": 28,
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"elements": [
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"O"
],
"chemical_system": "Cr-Li-O-Sn",
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"volume": 312.6291666082959,
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"formula_full": "Li4 Cr6 Sn2 O16",
"formula_reduced": "Li2Cr3SnO8",
"formula_anonymous": "AB2C3D8",
"energy": -216.0493825,
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"spacegroup": 12
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{
"id": "mp-570354",
"created_at": "2022-09-04T14:43:21.791029Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.682763 2.682763\n2.682763 0.000000 2.682763\n2.682763 2.682763 0.000000\nCu Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Br\n",
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"formula_full": "Cu1 Br1",
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"updated_at": "2021-11-28T01:36:15.985000Z",
"spacegroup": 225
},
{
"id": "mp-26239",
"created_at": "2022-09-04T14:43:21.827626Z",
"structure_string": "Li4 Mo4 P8 O28\n1.0\n4.243197 12.746437 0.000000\n-4.243197 12.746437 0.000000\n0.000000 12.849828 4.931166\nLi Mo P O\n4 4 8 28\ndirect\n0.911349 0.630063 0.612506 Li\n0.630063 0.911349 0.112506 Li\n0.369937 0.088651 0.887494 Li\n0.088651 0.369937 0.387494 Li\n0.734232 0.757130 0.370080 Mo\n0.242870 0.265768 0.129920 Mo\n0.757130 0.734232 0.870080 Mo\n0.265768 0.242870 0.629920 Mo\n0.267376 0.617613 0.479805 P\n0.160214 0.739044 0.672473 P\n0.260956 0.839786 0.827527 P\n0.617613 0.267376 0.979805 P\n0.732624 0.382387 0.520195 P\n0.839786 0.260956 0.327527 P\n0.739044 0.160214 0.172473 P\n0.382387 0.732624 0.020195 P\n0.437949 0.774368 0.169725 O\n0.225632 0.562051 0.330275 O\n0.301267 0.930579 0.393750 O\n0.044940 0.715326 0.554286 O\n0.562051 0.225632 0.830275 O\n0.774368 0.437949 0.669725 O\n0.698733 0.069421 0.606250 O\n0.955060 0.284674 0.445714 O\n0.592496 0.184248 0.365976 O\n0.680468 0.614397 0.399439 O\n0.734090 0.406116 0.382596 O\n0.806318 0.925329 0.291574 O\n0.074671 0.193682 0.208426 O\n0.815752 0.407504 0.134024 O\n0.593884 0.265910 0.117404 O\n0.069421 0.698733 0.106250 O\n0.385603 0.319532 0.100561 O\n0.715326 0.044940 0.054286 O\n0.284674 0.955060 0.945714 O\n0.614397 0.680468 0.899439 O\n0.930579 0.301267 0.893750 O\n0.406116 0.734090 0.882596 O\n0.184248 0.592496 0.865976 O\n0.925329 0.806318 0.791574 O\n0.193682 0.074671 0.708426 O\n0.265910 0.593884 0.617404 O\n0.319532 0.385603 0.600561 O\n0.407504 0.815752 0.634024 O\n",
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"formula_full": "Li4 Mo4 P8 O28",
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"spacegroup": 15
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{
"id": "mp-1207882",
"created_at": "2022-09-04T14:43:21.760235Z",
"structure_string": "U4 Mn4 C8\n1.0\n3.187135 0.000000 0.000000\n0.000000 5.415778 0.000000\n0.000000 0.000000 10.591579\nU Mn C\n4 4 8\ndirect\n0.250000 0.582664 0.858558 U\n0.750000 0.417336 0.141442 U\n0.750000 0.917336 0.358558 U\n0.250000 0.082664 0.641442 U\n0.250000 0.918438 0.097397 Mn\n0.750000 0.081562 0.902603 Mn\n0.750000 0.581562 0.597397 Mn\n0.250000 0.418438 0.402603 Mn\n0.250000 0.660928 0.246657 C\n0.750000 0.339072 0.753343 C\n0.750000 0.839072 0.746657 C\n0.250000 0.160928 0.253343 C\n0.250000 0.721427 0.511693 C\n0.750000 0.278573 0.488307 C\n0.750000 0.778573 0.011693 C\n0.250000 0.221427 0.988307 C\n",
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{
"id": "mp-1079893",
"created_at": "2022-09-04T14:43:21.761088Z",
"structure_string": "Ba2 Ti2 Se6\n1.0\n3.561396 -6.168519 0.000000\n3.561396 6.168519 0.000000\n0.000000 0.000000 6.066513\nBa Ti Se\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.168506 0.831494 0.250000 Se\n0.168506 0.337013 0.250000 Se\n0.662987 0.831494 0.250000 Se\n0.831494 0.168506 0.750000 Se\n0.831494 0.662987 0.750000 Se\n0.337013 0.168506 0.750000 Se\n",
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"formula_full": "Ba2 Ti2 Se6",
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{
"id": "mp-757766",
"created_at": "2022-09-04T14:43:21.763061Z",
"structure_string": "Fe1 Bi25 O39\n1.0\n8.970047 0.000000 0.000000\n-3.004347 8.453439 0.000000\n-0.020667 -0.056803 14.611471\nFe Bi O\n1 25 39\ndirect\n0.500337 0.501592 0.500017 Fe\n0.565583 0.767762 0.917475 Bi\n0.234186 0.388566 0.907901 Bi\n0.172320 0.491670 0.647198 Bi\n0.529531 0.829841 0.659514 Bi\n0.332537 0.024747 0.830303 Bi\n0.991952 0.640235 0.841514 Bi\n0.241946 0.735995 0.430450 Bi\n0.082712 0.942646 0.249135 Bi\n0.579151 0.445071 0.744445 Bi\n0.733799 0.234604 0.929161 Bi\n0.089690 0.276252 0.416323 Bi\n0.900831 0.730096 0.594429 Bi\n0.278938 0.088076 0.579994 Bi\n0.733379 0.901207 0.406298 Bi\n0.937054 0.090155 0.739593 Bi\n0.444054 0.579458 0.256810 Bi\n0.732886 0.252576 0.565522 Bi\n0.230923 0.735314 0.076105 Bi\n0.022939 0.326872 0.167228 Bi\n0.653076 0.986683 0.155772 Bi\n0.830547 0.525144 0.337421 Bi\n0.485881 0.161149 0.347406 Bi\n0.982267 0.979609 0.984952 Bi\n0.393421 0.232861 0.096529 Bi\n0.772909 0.580763 0.085780 Bi\n0.997977 0.629602 0.999403 O\n0.043892 0.928863 0.691494 O\n0.316395 0.702587 0.943010 O\n0.005831 0.222746 0.001229 O\n0.060408 0.434676 0.823383 O\n0.569316 0.926280 0.810596 O\n0.223015 0.002931 0.005078 O\n0.426817 0.547930 0.811233 O\n0.204116 0.821381 0.560835 O\n0.183706 0.184315 0.813057 O\n0.497122 0.238310 0.880373 O\n0.751611 0.513971 0.866431 O\n0.019724 0.253419 0.629356 O\n0.744015 0.005596 0.620617 O\n0.629222 0.998815 0.999502 O\n0.692185 0.692508 0.691037 O\n0.117701 0.500419 0.500498 O\n0.502054 0.716569 0.503235 O\n0.389557 0.396611 0.607868 O\n0.429736 0.076814 0.689586 O\n0.560194 0.941721 0.321316 O\n0.945392 0.559792 0.680720 O\n0.074260 0.429826 0.310501 O\n0.714102 0.496141 0.503306 O\n0.395225 0.393963 0.392308 O\n0.692369 0.691385 0.310693 O\n0.501807 0.118861 0.500471 O\n0.001204 0.737673 0.383224 O\n0.251156 0.013042 0.372578 O\n0.234185 0.496162 0.118656 O\n0.506379 0.750682 0.131543 O\n0.191348 0.191448 0.194234 O\n0.822475 0.205167 0.439754 O\n0.549394 0.429222 0.191481 O\n0.893719 0.894776 0.115884 O\n0.928239 0.567028 0.191503 O\n0.437680 0.060315 0.180013 O\n0.931568 0.048596 0.312546 O\n0.700967 0.319827 0.059486 O\n",
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{
"id": "mp-1225507",
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"structure_string": "Er2 Ni2 Ge2\n1.0\n2.064174 5.081654 0.000000\n-2.064174 5.081654 0.000000\n0.000000 4.549768 5.090196\nEr Ni Ge\n2 2 2\ndirect\n0.548010 0.548010 0.192615 Er\n0.451990 0.451990 0.807385 Er\n0.831460 0.831460 0.219789 Ni\n0.168540 0.168540 0.780211 Ni\n0.170786 0.170786 0.392183 Ge\n0.829214 0.829214 0.607817 Ge\n",
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