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{
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"results": [
{
"id": "mp-8885",
"created_at": "2022-09-04T14:48:17.172575Z",
"structure_string": "Ba4 Cd4 S8\n1.0\n4.225942 0.000000 0.000000\n0.000000 7.462608 0.000000\n0.000000 0.000000 14.263827\nBa Cd S\n4 4 8\ndirect\n0.750000 0.154700 0.640370 Ba\n0.250000 0.845300 0.359630 Ba\n0.750000 0.654700 0.859630 Ba\n0.250000 0.345300 0.140370 Ba\n0.750000 0.326658 0.381279 Cd\n0.750000 0.826658 0.118721 Cd\n0.250000 0.673342 0.618721 Cd\n0.250000 0.173342 0.881279 Cd\n0.750000 0.263899 0.969937 S\n0.250000 0.736101 0.030063 S\n0.750000 0.763899 0.530063 S\n0.250000 0.236101 0.469937 S\n0.250000 0.422855 0.737776 S\n0.750000 0.077145 0.237776 S\n0.250000 0.922855 0.762224 S\n0.750000 0.577145 0.262224 S\n",
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{
"id": "mp-1177922",
"created_at": "2022-09-04T14:48:17.238790Z",
"structure_string": "Li8 Mn12 V4 O32\n1.0\n8.175012 0.000000 0.000000\n0.000000 8.575679 0.000000\n0.000000 0.000000 8.620053\nLi Mn V O\n8 12 4 32\ndirect\n0.497837 0.993389 0.502531 Li\n0.754763 0.248120 0.749075 Li\n0.245237 0.748120 0.750925 Li\n0.502163 0.493389 0.997469 Li\n0.002163 0.006611 0.002531 Li\n0.745237 0.751880 0.249075 Li\n0.254763 0.251880 0.250925 Li\n0.997837 0.506611 0.497469 Li\n0.622290 0.625110 0.631229 Mn\n0.875435 0.867958 0.618505 Mn\n0.126642 0.121283 0.621218 Mn\n0.873358 0.621283 0.878782 Mn\n0.124565 0.367958 0.881495 Mn\n0.377710 0.125110 0.868771 Mn\n0.877710 0.374890 0.131229 Mn\n0.624565 0.132042 0.118505 Mn\n0.373358 0.878717 0.121218 Mn\n0.626642 0.378717 0.378782 Mn\n0.375435 0.632042 0.381495 Mn\n0.122290 0.874890 0.368771 Mn\n0.367788 0.378724 0.625880 V\n0.632212 0.878724 0.874120 V\n0.132212 0.621276 0.125880 V\n0.867788 0.121276 0.374120 V\n0.613758 0.396361 0.617251 O\n0.388739 0.608485 0.631831 O\n0.110400 0.871228 0.594410 O\n0.634134 0.853207 0.640661 O\n0.891023 0.106295 0.605923 O\n0.861031 0.635975 0.643233 O\n0.147871 0.374196 0.623751 O\n0.365692 0.138670 0.639539 O\n0.634308 0.638670 0.860461 O\n0.852129 0.874196 0.876249 O\n0.138969 0.135975 0.856767 O\n0.108977 0.606295 0.894077 O\n0.365866 0.353207 0.859339 O\n0.889600 0.371228 0.905590 O\n0.611261 0.108485 0.868169 O\n0.386242 0.896361 0.882749 O\n0.886242 0.603639 0.117251 O\n0.111261 0.391515 0.131831 O\n0.389600 0.128772 0.094410 O\n0.865866 0.146793 0.140661 O\n0.608977 0.893705 0.105923 O\n0.638969 0.364025 0.143233 O\n0.352129 0.625804 0.123751 O\n0.134308 0.861330 0.139539 O\n0.865692 0.361330 0.360461 O\n0.647871 0.125804 0.376249 O\n0.361031 0.864025 0.356767 O\n0.391023 0.393705 0.394077 O\n0.134134 0.646793 0.359339 O\n0.610400 0.628772 0.405590 O\n0.888739 0.891515 0.368169 O\n0.113758 0.103639 0.382749 O\n",
"nsites": 56,
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"elements": [
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"volume": 604.3198383125086,
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"formula_full": "Li8 Mn12 V4 O32",
"formula_reduced": "Li2Mn3VO8",
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"energy": -442.77435904,
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"updated_at": "2021-11-28T01:38:54.698000Z",
"spacegroup": 19
},
{
"id": "mp-757783",
"created_at": "2022-09-04T14:48:17.245531Z",
"structure_string": "Li4 Ti3 Cu3 W2 O16\n1.0\n2.983349 5.221330 0.000000\n-2.983349 5.221330 0.000000\n0.000000 0.440183 10.027469\nLi Ti Cu W O\n4 3 3 2 16\ndirect\n0.664924 0.664924 0.089380 Li\n0.992465 0.992465 0.024462 Li\n0.000593 0.000593 0.509857 Li\n0.331944 0.331944 0.585062 Li\n0.343485 0.848936 0.781008 Ti\n0.848936 0.343485 0.781008 Ti\n0.178082 0.178082 0.265596 Ti\n0.829255 0.829255 0.795292 Cu\n0.173737 0.661497 0.300104 Cu\n0.661497 0.173737 0.300104 Cu\n0.665503 0.665503 0.509857 W\n0.349037 0.349037 0.015613 W\n0.355978 0.840271 0.414978 O\n0.520172 0.520172 0.662455 O\n0.652569 0.652569 0.888517 O\n0.003653 0.003653 0.700903 O\n0.004039 0.004039 0.215497 O\n0.840271 0.355978 0.414978 O\n0.494925 0.962389 0.651343 O\n0.962389 0.494925 0.651343 O\n0.168459 0.168459 0.890144 O\n0.830013 0.830013 0.436214 O\n0.031560 0.455697 0.134460 O\n0.455697 0.031560 0.134460 O\n0.320620 0.320620 0.382564 O\n0.180250 0.660175 0.911423 O\n0.479138 0.479138 0.133977 O\n0.660175 0.180250 0.911423 O\n",
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"elements": [
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"O"
],
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"density": 5.239328229005525,
"density_atomic": 0.08962960942507542,
"volume": 312.396764636202,
"volume_molar": 6.718918891456425,
"formula_full": "Li4 Ti3 Cu3 W2 O16",
"formula_reduced": "Li4Ti3Cu3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -214.50169664,
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"updated_at": "2021-11-28T01:38:45.843000Z",
"spacegroup": 8
},
{
"id": "mp-1178724",
"created_at": "2022-09-04T14:48:17.279459Z",
"structure_string": "Zn8 P4 O26\n1.0\n5.298795 0.000000 0.000000\n0.000000 10.463676 0.000000\n0.000000 5.946851 9.762552\nZn P O\n8 4 26\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.047431 0.000000 0.750000 Zn\n0.952569 0.000000 0.250000 Zn\n0.696412 0.711911 0.001537 Zn\n0.696412 0.288089 0.498463 Zn\n0.303588 0.288089 0.998463 Zn\n0.303588 0.711911 0.501537 Zn\n0.517636 0.807697 0.706160 P\n0.517636 0.192303 0.793840 P\n0.482364 0.192303 0.293840 P\n0.482364 0.807697 0.206160 P\n0.285717 0.912791 0.663280 O\n0.285717 0.087209 0.836720 O\n0.714283 0.087209 0.336720 O\n0.714283 0.912791 0.163280 O\n0.767776 0.901351 0.669187 O\n0.767776 0.098649 0.830813 O\n0.232224 0.098649 0.330813 O\n0.232224 0.901351 0.169187 O\n0.522038 0.697164 0.862832 O\n0.522038 0.302836 0.637168 O\n0.477962 0.302836 0.137168 O\n0.477962 0.697164 0.362832 O\n0.521320 0.723053 0.629316 O\n0.521320 0.276947 0.870684 O\n0.478680 0.276947 0.370684 O\n0.478680 0.723053 0.129316 O\n0.978220 0.846366 0.945033 O\n0.978220 0.153634 0.554967 O\n0.021780 0.153634 0.054967 O\n0.021780 0.846366 0.445033 O\n0.898432 0.508399 0.148265 O\n0.898432 0.491601 0.351735 O\n0.101568 0.491601 0.851735 O\n0.101568 0.508399 0.648265 O\n0.971448 0.500000 0.750000 O\n0.028552 0.500000 0.250000 O\n",
"nsites": 38,
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"elements": [
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"density": 3.261515681164856,
"density_atomic": 0.07020351141251203,
"volume": 541.2834662459269,
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"formula_full": "Zn8 P4 O26",
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"spacegroup": 13
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{
"id": "mp-1324481",
"created_at": "2022-09-04T14:48:16.588114Z",
"structure_string": "Mg4 Ag8 P8 O36\n1.0\n6.533796 0.000000 0.000000\n0.000000 6.924415 0.000000\n0.000000 0.000000 15.894038\nMg Ag P O\n4 8 8 36\ndirect\n0.750000 0.887983 0.225154 Mg\n0.750000 0.612017 0.725154 Mg\n0.250000 0.387983 0.274846 Mg\n0.250000 0.112017 0.774846 Mg\n0.750000 0.370385 0.118632 Ag\n0.250000 0.629615 0.881368 Ag\n0.250000 0.870385 0.381368 Ag\n0.750000 0.129615 0.618632 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.250000 0.383876 0.078683 P\n0.750000 0.616124 0.921317 P\n0.750000 0.883876 0.421317 P\n0.250000 0.116124 0.578683 P\n0.750000 0.386021 0.292705 P\n0.750000 0.113979 0.792705 P\n0.250000 0.886021 0.207295 P\n0.250000 0.613979 0.707295 P\n0.453802 0.606747 0.658577 O\n0.953802 0.393253 0.341423 O\n0.546198 0.106747 0.841423 O\n0.046198 0.893253 0.158577 O\n0.546198 0.393253 0.341423 O\n0.046198 0.606747 0.658577 O\n0.453802 0.893253 0.158577 O\n0.953802 0.106747 0.841423 O\n0.250000 0.301668 0.522313 O\n0.750000 0.698332 0.477687 O\n0.750000 0.801668 0.977687 O\n0.250000 0.198332 0.022313 O\n0.750000 0.109008 0.060182 O\n0.250000 0.890992 0.939818 O\n0.250000 0.609008 0.439818 O\n0.750000 0.390992 0.560182 O\n0.750000 0.195454 0.237929 O\n0.250000 0.804546 0.762071 O\n0.250000 0.695454 0.262071 O\n0.750000 0.304546 0.737929 O\n0.073983 0.122904 0.644464 O\n0.573983 0.877096 0.355536 O\n0.926017 0.622904 0.855536 O\n0.426017 0.377096 0.144464 O\n0.926017 0.877096 0.355536 O\n0.426017 0.122904 0.644464 O\n0.073983 0.377096 0.144464 O\n0.573983 0.622904 0.855536 O\n0.750000 0.442512 0.979248 O\n0.250000 0.063038 0.272778 O\n0.250000 0.436962 0.772778 O\n0.750000 0.563038 0.227222 O\n0.750000 0.057488 0.479248 O\n0.250000 0.942512 0.520752 O\n0.250000 0.557488 0.020752 O\n0.750000 0.936962 0.727222 O\n",
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{
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"structure_string": "Ta4 W2 O16\n1.0\n3.068101 9.997281 0.000000\n-3.068101 9.997281 0.000000\n0.000000 0.150115 5.170141\nTa W O\n4 2 16\ndirect\n0.689855 0.044293 0.245170 Ta\n0.955707 0.310145 0.254830 Ta\n0.310145 0.955707 0.754830 Ta\n0.044293 0.689855 0.745170 Ta\n0.344866 0.655134 0.250000 W\n0.655134 0.344866 0.750000 W\n0.784556 0.099899 0.920560 O\n0.900101 0.215444 0.579440 O\n0.215444 0.900101 0.079440 O\n0.099899 0.784556 0.420560 O\n0.562344 0.334419 0.431097 O\n0.665581 0.437656 0.068903 O\n0.437656 0.665581 0.568903 O\n0.334419 0.562344 0.931097 O\n0.758288 0.915793 0.575783 O\n0.084207 0.241712 0.924217 O\n0.203009 0.426855 0.646255 O\n0.573145 0.796991 0.853745 O\n0.796991 0.573145 0.353745 O\n0.426855 0.203009 0.146255 O\n0.915793 0.758288 0.075783 O\n0.241712 0.084207 0.424217 O\n",
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{
"id": "mp-1209744",
"created_at": "2022-09-04T14:48:16.596778Z",
"structure_string": "Rb3 Sb1 F12\n1.0\n-3.864381 -6.693305 3.020420\n-4.739390 7.198491 -1.510210\n1.690491 2.928016 -6.341749\nRb Sb F\n3 1 12\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Sb\n0.105743 0.844125 0.992911 F\n0.894257 0.155875 0.007089 F\n0.811120 0.154726 0.611773 F\n0.738382 0.844125 0.007089 F\n0.188880 0.845274 0.388227 F\n0.261618 0.155875 0.992911 F\n0.612048 0.676080 0.431324 F\n0.343606 0.154726 0.388227 F\n0.387952 0.323920 0.568676 F\n0.656394 0.845274 0.611773 F\n0.064033 0.676080 0.568676 F\n0.935967 0.323920 0.431324 F\n",
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{
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"structure_string": "Ho2 Cl6\n1.0\n4.960975 -8.592661 0.000000\n4.960975 8.592661 0.000000\n0.000000 0.000000 3.586533\nHo Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n0.219172 0.438344 0.250000 Cl\n0.561656 0.780828 0.250000 Cl\n0.219172 0.780828 0.250000 Cl\n0.780828 0.561656 0.750000 Cl\n0.438344 0.219172 0.750000 Cl\n0.780828 0.219172 0.750000 Cl\n",
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{
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{
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{
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},
{
"id": "mp-567428",
"created_at": "2022-09-04T14:48:16.620508Z",
"structure_string": "Tb6 Cu2 Ge2 Se14\n1.0\n5.189956 -8.989267 0.000000\n5.189956 8.989267 0.000000\n0.000000 0.000000 6.104034\nTb Cu Ge Se\n6 2 2 14\ndirect\n0.644375 0.779205 0.756332 Tb\n0.865170 0.644375 0.256332 Tb\n0.220795 0.865170 0.756332 Tb\n0.779205 0.134830 0.256332 Tb\n0.134830 0.355625 0.756332 Tb\n0.355625 0.220795 0.256332 Tb\n0.000000 0.000000 0.707722 Cu\n0.000000 0.000000 0.207722 Cu\n0.666667 0.333333 0.838844 Ge\n0.333333 0.666667 0.338844 Ge\n0.898668 0.738273 0.725382 Se\n0.666667 0.333333 0.451756 Se\n0.424921 0.518132 0.504612 Se\n0.481868 0.906789 0.504612 Se\n0.738273 0.839604 0.225382 Se\n0.160396 0.898668 0.225382 Se\n0.575079 0.481868 0.004612 Se\n0.839604 0.101332 0.725382 Se\n0.333333 0.666667 0.951756 Se\n0.906789 0.424921 0.004612 Se\n0.261727 0.160396 0.725382 Se\n0.518132 0.093211 0.004612 Se\n0.101332 0.261727 0.225382 Se\n0.093211 0.575079 0.504612 Se\n",
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]
}