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{
"id": "mp-721",
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"structure_string": "Tb1 Cd1\n1.0\n3.767115 0.000000 0.000000\n0.000000 3.767115 0.000000\n0.000000 0.000000 3.767115\nTb Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Cs2 U4 F18\n1.0\n7.166337 -0.264796 -0.132955\n-3.176111 7.761549 -0.057245\n-0.007960 -4.075765 7.716022\nCs U F\n2 4 18\ndirect\n0.107829 0.991792 0.244942 Cs\n0.878161 0.992529 0.750708 Cs\n0.184642 0.563051 0.699936 U\n0.376319 0.563357 0.200033 U\n0.613315 0.415750 0.788141 U\n0.804276 0.417110 0.288917 U\n0.027730 0.678729 0.576699 F\n0.122415 0.670223 0.283544 F\n0.055707 0.312182 0.132331 F\n0.260645 0.634209 0.989748 F\n0.365791 0.629485 0.487776 F\n0.261742 0.311197 0.630547 F\n0.338274 0.321524 0.926970 F\n0.540866 0.669893 0.783403 F\n0.443006 0.332921 0.219381 F\n0.645372 0.676473 0.076062 F\n0.478412 0.103171 0.654676 F\n0.733301 0.688275 0.366099 F\n0.641671 0.380438 0.515082 F\n0.740582 0.377932 0.014166 F\n0.641495 0.104619 0.156313 F\n0.946145 0.687499 0.864524 F\n0.895634 0.334224 0.720881 F\n0.985871 0.321818 0.428522 F\n",
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{
"id": "mp-773010",
"created_at": "2022-09-04T14:45:59.215758Z",
"structure_string": "Li1 Fe23 O32\n1.0\n6.062006 -6.060321 0.000000\n6.062006 6.060321 0.000000\n0.003369 0.000000 8.571778\nLi Fe O\n1 23 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.123069 0.623487 0.123069 Fe\n0.005268 0.753726 0.753726 Fe\n0.000000 0.500000 0.500000 Fe\n0.994732 0.246274 0.246274 Fe\n0.876931 0.876931 0.376513 Fe\n0.876931 0.376513 0.876931 Fe\n0.753726 0.005268 0.753726 Fe\n0.748598 0.251402 0.500000 Fe\n0.753726 0.753726 0.005268 Fe\n0.748598 0.500000 0.251402 Fe\n0.629846 0.629846 0.629846 Fe\n0.623487 0.123069 0.123069 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.251402 0.748598 Fe\n0.500000 0.748598 0.251402 Fe\n0.500000 0.500000 0.000000 Fe\n0.376513 0.876931 0.876931 Fe\n0.370154 0.370154 0.370154 Fe\n0.251402 0.748598 0.500000 Fe\n0.251402 0.500000 0.748598 Fe\n0.246274 0.994732 0.246274 Fe\n0.246274 0.246274 0.994732 Fe\n0.123069 0.123069 0.623487 Fe\n0.000818 0.739045 0.511037 O\n0.010234 0.010234 0.253521 O\n0.010234 0.253521 0.010234 O\n0.999182 0.260955 0.488963 O\n0.000818 0.511037 0.739045 O\n0.989766 0.989766 0.746479 O\n0.989766 0.746479 0.989766 O\n0.999182 0.488963 0.260955 O\n0.761735 0.761735 0.761735 O\n0.759878 0.500178 0.500178 O\n0.760120 0.247361 0.247361 O\n0.752639 0.752639 0.239880 O\n0.746479 0.989766 0.989766 O\n0.739045 0.000818 0.511037 O\n0.752639 0.239880 0.752639 O\n0.739045 0.511037 0.000818 O\n0.511037 0.000818 0.739045 O\n0.511037 0.739045 0.000818 O\n0.499822 0.499822 0.240122 O\n0.500178 0.500178 0.759878 O\n0.499822 0.240122 0.499822 O\n0.500178 0.759878 0.500178 O\n0.488963 0.999182 0.260955 O\n0.488963 0.260955 0.999182 O\n0.260955 0.999182 0.488963 O\n0.247361 0.247361 0.760120 O\n0.260955 0.488963 0.999182 O\n0.253521 0.010234 0.010234 O\n0.247361 0.760120 0.247361 O\n0.239880 0.752639 0.752639 O\n0.240122 0.499822 0.499822 O\n0.238265 0.238265 0.238265 O\n",
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"elements": [
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"formula_full": "Li1 Fe23 O32",
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"energy": -445.72349234,
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{
"id": "mp-1266390",
"created_at": "2022-09-04T14:46:00.411981Z",
"structure_string": "Al4 W4 O14\n1.0\n6.673781 0.043504 4.038156\n2.144960 5.386728 4.244219\n0.218045 0.491414 7.699545\nAl W O\n4 4 14\ndirect\n0.442749 0.036276 0.598460 Al\n0.116463 0.444199 0.370220 Al\n0.544573 0.485294 0.986297 Al\n0.484010 0.609312 0.524930 Al\n0.985450 0.503813 0.018112 W\n0.502076 0.999803 0.989089 W\n0.964388 0.977722 0.464395 W\n0.968111 0.023735 0.000367 W\n0.539000 0.704291 0.653415 O\n0.406663 0.307790 0.294026 O\n0.391380 0.831192 0.957525 O\n0.986186 0.632741 0.708472 O\n0.800579 0.338010 0.068945 O\n0.983766 0.776097 0.332339 O\n0.336166 0.384393 0.810003 O\n0.302094 0.874989 0.344984 O\n0.982332 0.283666 0.390303 O\n0.685792 0.666588 0.212637 O\n0.147120 0.190393 0.671000 O\n0.678476 0.175321 0.957153 O\n0.635536 0.098966 0.611260 O\n0.117092 0.655407 0.036069 O\n",
"nsites": 22,
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"density_atomic": 0.08406142633502373,
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"formula_full": "Al4 W4 O14",
"formula_reduced": "Al2W2O7",
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"energy": -188.06021993,
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},
{
"id": "mp-1224750",
"created_at": "2022-09-04T14:46:00.405581Z",
"structure_string": "Gd1 Dy1\n1.0\n1.790282 -3.100860 0.000000\n1.790282 3.100860 0.000000\n0.000000 0.000000 5.719471\nGd Dy\n1 1\ndirect\n0.000000 0.000000 0.500000 Gd\n0.333333 0.666667 0.000000 Dy\n",
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{
"id": "mp-1223766",
"created_at": "2022-09-04T14:46:00.424008Z",
"structure_string": "K2 Ba1 Fe6 As6\n1.0\n2.718870 8.171662 0.000000\n-2.718870 8.171662 0.000000\n0.000000 2.721915 6.650922\nK Ba Fe As\n2 1 6 6\ndirect\n0.669961 0.669961 0.000226 K\n0.330039 0.330039 0.999774 K\n0.000000 0.000000 0.000000 Ba\n0.750968 0.249032 0.500000 Fe\n0.083533 0.583983 0.499459 Fe\n0.416017 0.916467 0.500541 Fe\n0.583983 0.083533 0.499459 Fe\n0.916467 0.416017 0.500541 Fe\n0.249032 0.750968 0.500000 Fe\n0.882087 0.882087 0.697377 As\n0.217816 0.217816 0.694292 As\n0.551843 0.551843 0.696978 As\n0.448157 0.448157 0.303022 As\n0.782184 0.782184 0.305708 As\n0.117913 0.117913 0.302623 As\n",
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{
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"structure_string": "La2 Ta2 Zn2 Cr2 O12\n1.0\n5.725048 0.000000 0.000000\n0.000000 5.422845 0.000000\n0.000000 5.298294 8.484409\nLa Ta Zn Cr O\n2 2 2 2 12\ndirect\n0.302618 0.780260 0.247595 La\n0.697382 0.780260 0.747595 La\n0.221733 0.502230 0.997462 Ta\n0.778267 0.502230 0.497462 Ta\n0.645937 0.257181 0.250939 Zn\n0.354063 0.257181 0.750939 Zn\n0.242300 0.004615 0.500755 Cr\n0.757700 0.004615 0.000755 Cr\n0.746344 0.380773 0.720506 O\n0.051124 0.152052 0.054662 O\n0.043679 0.750495 0.444987 O\n0.546549 0.238484 0.065781 O\n0.552831 0.859259 0.435523 O\n0.290366 0.574647 0.781792 O\n0.253656 0.380773 0.220506 O\n0.948876 0.152052 0.554662 O\n0.956321 0.750495 0.944987 O\n0.453451 0.238484 0.565781 O\n0.447169 0.859259 0.935523 O\n0.709634 0.574647 0.281792 O\n",
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{
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"structure_string": "Fe21 S24\n1.0\n6.582050 0.000000 0.000000\n-3.291025 5.700223 0.000000\n0.000000 0.000000 15.566925\nFe S\n21 24\ndirect\n0.410272 0.425078 0.146511 Fe\n0.083498 0.000000 0.333333 Fe\n0.014807 0.589728 0.813178 Fe\n0.483323 0.948154 0.014820 Fe\n0.000000 0.439136 0.166667 Fe\n0.439136 0.000000 0.833333 Fe\n0.589728 0.014807 0.186822 Fe\n0.000000 0.018835 0.166667 Fe\n0.574922 0.985193 0.479845 Fe\n0.425078 0.410272 0.853489 Fe\n0.916502 0.916502 0.000000 Fe\n0.051846 0.535169 0.348153 Fe\n0.464831 0.516677 0.681486 Fe\n0.985193 0.574922 0.520155 Fe\n0.981165 0.981165 0.500000 Fe\n0.000000 0.083498 0.666667 Fe\n0.516677 0.464831 0.318514 Fe\n0.560864 0.560864 0.500000 Fe\n0.948154 0.483323 0.985180 Fe\n0.535169 0.051846 0.651847 Fe\n0.018835 0.000000 0.833333 Fe\n0.216182 0.851753 0.428172 S\n0.345992 0.211511 0.585898 S\n0.351540 0.649595 0.246250 S\n0.148247 0.364429 0.761505 S\n0.298055 0.648460 0.912917 S\n0.701945 0.350405 0.420417 S\n0.350405 0.701945 0.579583 S\n0.654008 0.865519 0.747435 S\n0.635571 0.783818 0.094838 S\n0.134481 0.788489 0.080768 S\n0.648460 0.298055 0.087083 S\n0.851753 0.216182 0.571828 S\n0.707352 0.826188 0.397308 S\n0.865519 0.654008 0.252565 S\n0.788489 0.134481 0.919232 S\n0.826188 0.707352 0.602692 S\n0.364429 0.148247 0.238495 S\n0.118836 0.292648 0.063974 S\n0.783818 0.635571 0.905162 S\n0.292648 0.118836 0.936026 S\n0.173812 0.881164 0.730641 S\n0.211511 0.345992 0.414102 S\n0.649595 0.351540 0.753750 S\n0.881164 0.173812 0.269359 S\n",
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{
"id": "mp-1221777",
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"structure_string": "Mn2 Cd8 S10\n1.0\n2.086409 12.763486 0.000000\n-2.086409 12.763486 0.000000\n0.000000 2.553191 9.529383\nMn Cd S\n2 8 10\ndirect\n0.130586 0.130586 0.277160 Mn\n0.330323 0.330323 0.676174 Mn\n0.164259 0.164259 0.845278 Cd\n0.362720 0.362720 0.246582 Cd\n0.563822 0.563822 0.638710 Cd\n0.761543 0.761543 0.043339 Cd\n0.962547 0.962547 0.447501 Cd\n0.531809 0.531809 0.077158 Cd\n0.730382 0.730382 0.473022 Cd\n0.928447 0.928447 0.872536 Cd\n0.090591 0.090591 0.080213 S\n0.288812 0.288812 0.480777 S\n0.487840 0.487840 0.868927 S\n0.682740 0.682740 0.270600 S\n0.881965 0.881965 0.669840 S\n0.654293 0.654293 0.704170 S\n0.853137 0.853137 0.104957 S\n0.057570 0.057570 0.491825 S\n0.258446 0.258446 0.893036 S\n0.454675 0.454675 0.304195 S\n",
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{
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