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{
"id": "mp-1173245",
"created_at": "2022-09-04T14:39:17.703635Z",
"structure_string": "Sr6 La3 Ti3 Cu3 O20\n1.0\n3.812499 -0.162537 -0.901515\n-0.157183 11.398904 -2.715868\n0.531838 0.520834 10.515901\nSr La Ti Cu O\n6 3 3 3 20\ndirect\n0.003524 0.993629 0.991138 Sr\n0.998570 0.335747 0.998917 Sr\n0.996241 0.667868 0.993533 Sr\n0.196366 0.073163 0.359824 Sr\n0.208863 0.377822 0.368028 Sr\n0.798641 0.615021 0.633419 Sr\n0.194501 0.732877 0.363248 La\n0.807281 0.261501 0.643028 La\n0.789185 0.941012 0.640304 La\n0.389723 0.469300 0.802290 Ti\n0.610963 0.525139 0.194336 Ti\n0.597926 0.870204 0.183542 Ti\n0.389293 0.133605 0.809508 Cu\n0.387454 0.801361 0.801586 Cu\n0.611947 0.198179 0.185052 Cu\n0.106961 0.197263 0.174261 O\n0.101836 0.545283 0.198707 O\n0.105692 0.867737 0.206355 O\n0.330638 0.101954 0.598174 O\n0.325583 0.419087 0.615553 O\n0.300932 0.776009 0.594591 O\n0.398483 0.298562 0.821717 O\n0.383648 0.626663 0.797892 O\n0.379093 0.972177 0.804536 O\n0.501369 0.505774 0.004843 O\n0.494372 0.829339 0.002797 O\n0.605300 0.033254 0.179234 O\n0.611527 0.363108 0.186851 O\n0.609759 0.705034 0.200889 O\n0.718714 0.236225 0.421000 O\n0.676661 0.569054 0.390537 O\n0.683011 0.894481 0.402492 O\n0.896779 0.133019 0.818252 O\n0.902103 0.458980 0.812982 O\n0.887060 0.803902 0.800583 O\n",
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"elements": [
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],
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"density": 5.666412206837136,
"density_atomic": 0.07480209103020524,
"volume": 467.9013583439389,
"volume_molar": 8.050765262121145,
"formula_full": "Sr6 La3 Ti3 Cu3 O20",
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"updated_at": "2021-11-28T01:34:32.393000Z",
"spacegroup": 1
},
{
"id": "mp-1383505",
"created_at": "2022-09-04T14:39:17.730678Z",
"structure_string": "Bi2 O3\n1.0\n3.741374 0.000000 0.000000\n-1.771332 3.573388 0.000000\n-0.025446 -2.234872 6.935570\nBi O\n2 3\ndirect\n0.987557 0.959336 0.986692 Bi\n0.565693 0.571417 0.507606 Bi\n0.684695 0.463133 0.842705 O\n0.900607 0.211980 0.528374 O\n0.467448 0.716134 0.160623 O\n",
"nsites": 5,
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"elements": [
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],
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"volume": 92.72427747084613,
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"formula_full": "Bi2 O3",
"formula_reduced": "Bi2O3",
"formula_anonymous": "A2B3",
"energy": -26.29864363,
"energy_per_atom": -5.2597287260000005,
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"energy_uncorrected": -24.23764363,
"band_gap": 0.0,
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"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.865000Z",
"spacegroup": 1
},
{
"id": "mp-1226418",
"created_at": "2022-09-04T14:39:17.776327Z",
"structure_string": "Cs4 Ga3 Fe1 S8\n1.0\n5.870737 0.000000 0.000000\n1.435979 7.188292 0.000000\n1.572676 0.179151 12.343696\nCs Ga Fe S\n4 3 1 8\ndirect\n0.072924 0.031792 0.677832 Cs\n0.572305 0.532485 0.176852 Cs\n0.427067 0.467320 0.823117 Cs\n0.927771 0.968254 0.322197 Cs\n0.251381 0.495871 0.498525 Ga\n0.748593 0.504467 0.501447 Ga\n0.248346 0.004382 0.001539 Ga\n0.751685 0.995295 0.998490 Fe\n0.954251 0.558382 0.639217 S\n0.454982 0.058089 0.139044 S\n0.946445 0.237673 0.959601 S\n0.446855 0.737885 0.459474 S\n0.546805 0.941449 0.861000 S\n0.045554 0.441920 0.360877 S\n0.553089 0.262345 0.540455 S\n0.051946 0.762388 0.040332 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cs",
"Ga",
"Fe",
"S"
],
"chemical_system": "Cs-Fe-Ga-S",
"density": 3.3572073978488017,
"density_atomic": 0.030715417979292076,
"volume": 520.9110294636715,
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"formula_full": "Cs4 Ga3 Fe1 S8",
"formula_reduced": "Cs4Ga3FeS8",
"formula_anonymous": "AB3C4D8",
"energy": -73.71111986,
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"updated_at": "2021-11-28T01:34:31.113000Z",
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},
{
"id": "mp-764679",
"created_at": "2022-09-04T14:39:17.863424Z",
"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.258633 0.000000 0.000000\n0.152272 9.118035 0.000000\n0.131540 0.192101 10.091474\nLi Fe B O\n4 8 8 24\ndirect\n0.181284 0.169101 0.155520 Li\n0.325999 0.328751 0.416943 Li\n0.328902 0.329357 0.905758 Li\n0.828768 0.827208 0.900050 Li\n0.167079 0.836423 0.631528 Fe\n0.180651 0.507572 0.128303 Fe\n0.314479 0.003284 0.874243 Fe\n0.332511 0.669227 0.375772 Fe\n0.679134 0.335190 0.633113 Fe\n0.668540 0.996443 0.133054 Fe\n0.839420 0.149141 0.384278 Fe\n0.821781 0.503900 0.881067 Fe\n0.166890 0.500594 0.622127 B\n0.165679 0.839946 0.130694 B\n0.344830 0.998433 0.375438 B\n0.333170 0.666359 0.876407 B\n0.661795 0.999566 0.633132 B\n0.676088 0.324201 0.122619 B\n0.829669 0.495864 0.379606 B\n0.822588 0.167048 0.880703 B\n0.094896 0.496368 0.349895 O\n0.080757 0.175283 0.887921 O\n0.183984 0.790269 0.836571 O\n0.232813 0.872321 0.428095 O\n0.214600 0.130423 0.363963 O\n0.208057 0.538147 0.913838 O\n0.325374 0.379735 0.615346 O\n0.308904 0.964236 0.096161 O\n0.254394 0.637183 0.578455 O\n0.282041 0.715056 0.181935 O\n0.412772 0.325636 0.115794 O\n0.404580 0.990676 0.665731 O\n0.594091 0.988698 0.328290 O\n0.589997 0.675865 0.879945 O\n0.675813 0.288150 0.833509 O\n0.722197 0.362919 0.423855 O\n0.680280 0.617608 0.367850 O\n0.692184 0.041036 0.923464 O\n0.820816 0.440747 0.084789 O\n0.820336 0.881660 0.645965 O\n0.754663 0.134130 0.588296 O\n0.803802 0.192648 0.164303 O\n0.910749 0.845254 0.106321 O\n0.919017 0.487154 0.667446 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.2430308499456904,
"density_atomic": 0.09093350967900443,
"volume": 483.87002937992975,
"volume_molar": 6.6225759692528925,
"formula_full": "Li4 Fe8 B8 O24",
"formula_reduced": "LiFe2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy": -347.41856135,
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},
{
"id": "mp-1178076",
"created_at": "2022-09-04T14:39:18.604725Z",
"structure_string": "Li8 Mn4 V12 O32\n1.0\n8.206649 0.000000 0.000000\n0.011771 8.532473 0.000000\n0.020357 0.000613 8.669051\nLi Mn V O\n8 4 12 32\ndirect\n0.004167 0.002097 0.998383 Li\n0.246138 0.248581 0.749442 Li\n0.253694 0.749352 0.251406 Li\n0.496851 0.500173 0.999609 Li\n0.503428 0.998894 0.500826 Li\n0.747597 0.751606 0.750728 Li\n0.753554 0.250684 0.250029 Li\n0.996436 0.500062 0.500658 Li\n0.123548 0.375366 0.124320 Mn\n0.376477 0.875253 0.872764 Mn\n0.624639 0.624340 0.373457 Mn\n0.877251 0.121295 0.628611 Mn\n0.125472 0.625307 0.871368 V\n0.127497 0.874068 0.619928 V\n0.126297 0.123296 0.375068 V\n0.374339 0.621970 0.628481 V\n0.370204 0.376072 0.381699 V\n0.376693 0.127816 0.129836 V\n0.618244 0.372751 0.631721 V\n0.625163 0.126799 0.879486 V\n0.625875 0.876363 0.125618 V\n0.877258 0.377613 0.867095 V\n0.873046 0.624407 0.116233 V\n0.876249 0.872709 0.370949 V\n0.113374 0.390702 0.881227 O\n0.103292 0.618383 0.114064 O\n0.120566 0.890328 0.388827 O\n0.139889 0.862947 0.855181 O\n0.114483 0.108039 0.609537 O\n0.140558 0.638701 0.628684 O\n0.140588 0.359823 0.373932 O\n0.133898 0.135259 0.146786 O\n0.366865 0.634675 0.855229 O\n0.358076 0.859168 0.626659 O\n0.358340 0.138697 0.371628 O\n0.386801 0.608043 0.390940 O\n0.361666 0.363700 0.147077 O\n0.370816 0.390314 0.611058 O\n0.395031 0.117469 0.886542 O\n0.397501 0.889209 0.120936 O\n0.602667 0.612302 0.621618 O\n0.604341 0.380721 0.392504 O\n0.621658 0.111420 0.109819 O\n0.641349 0.138492 0.641442 O\n0.614005 0.891789 0.890602 O\n0.632458 0.361536 0.864113 O\n0.642309 0.640658 0.125947 O\n0.634034 0.863785 0.354583 O\n0.870794 0.370932 0.652651 O\n0.857271 0.138986 0.871566 O\n0.858927 0.861522 0.128814 O\n0.885447 0.388770 0.101382 O\n0.860474 0.636470 0.353438 O\n0.880352 0.610021 0.886540 O\n0.897022 0.877936 0.613264 O\n0.895033 0.112470 0.385550 O\n",
"nsites": 56,
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"elements": [
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],
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"density": 3.8257584315864377,
"density_atomic": 0.0922519781480367,
"volume": 607.0330536450592,
"volume_molar": 6.527925883969961,
"formula_full": "Li8 Mn4 V12 O32",
"formula_reduced": "Li2MnV3O8",
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"energy": -454.51789393,
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"updated_at": "2021-11-28T01:34:38.922000Z",
"spacegroup": 1
},
{
"id": "mp-703429",
"created_at": "2022-09-04T14:39:18.608665Z",
"structure_string": "Ba3 Y4 O9\n1.0\n8.750568 -3.080364 0.000000\n8.750568 3.080364 0.000000\n7.666222 0.000000 5.223995\nBa Y O\n3 4 9\ndirect\n0.408212 0.417836 0.419444 Ba\n0.843702 0.835465 0.828355 Ba\n0.998915 0.010750 0.998503 Ba\n0.697167 0.706106 0.694127 Y\n0.254502 0.270497 0.262817 Y\n0.144554 0.128900 0.135660 Y\n0.584297 0.570573 0.570363 Y\n0.419662 0.551746 0.953208 O\n0.952156 0.424476 0.548229 O\n0.553428 0.959214 0.414478 O\n0.292175 0.411793 0.884960 O\n0.886291 0.284360 0.420065 O\n0.415968 0.883071 0.285365 O\n0.420920 0.982478 0.847524 O\n0.990484 0.856896 0.410427 O\n0.851967 0.427086 0.979594 O\n",
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"density": 5.375042544212026,
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"volume": 281.6248876399184,
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"formula_full": "Ba3 Y4 O9",
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{
"id": "mp-1228731",
"created_at": "2022-09-04T14:39:18.050163Z",
"structure_string": "Ba2 Li3 La3 Mo8 O32\n1.0\n5.410768 0.000000 0.000000\n2.656439 6.612683 0.000000\n0.118659 0.215593 19.507090\nBa Li La Mo O\n2 3 3 8 32\ndirect\n0.967673 0.056900 0.765360 Ba\n0.029639 0.944665 0.238155 Ba\n0.688842 0.626562 0.758159 Li\n0.312837 0.370832 0.243143 Li\n0.850416 0.289340 0.963081 Li\n0.857240 0.293884 0.536784 La\n0.147056 0.708790 0.028277 La\n0.142921 0.706559 0.465026 La\n0.562395 0.883350 0.905495 Mo\n0.556347 0.877492 0.595406 Mo\n0.434464 0.120828 0.093409 Mo\n0.444346 0.122285 0.404819 Mo\n0.273834 0.474754 0.656881 Mo\n0.261892 0.471533 0.846360 Mo\n0.727428 0.524875 0.344163 Mo\n0.740782 0.524536 0.154455 Mo\n0.290944 0.709485 0.679251 O\n0.001001 0.694590 0.815606 O\n0.707466 0.291908 0.320374 O\n0.998250 0.300557 0.185166 O\n0.606093 0.287319 0.638370 O\n0.112210 0.288178 0.857487 O\n0.394505 0.711737 0.361384 O\n0.896736 0.708130 0.141713 O\n0.102254 0.513278 0.571749 O\n0.391277 0.517031 0.927327 O\n0.900023 0.486362 0.428484 O\n0.607256 0.488586 0.074012 O\n0.061459 0.397760 0.710182 O\n0.518476 0.402705 0.779366 O\n0.934785 0.602344 0.288929 O\n0.478111 0.597421 0.219093 O\n0.454791 0.828021 0.823359 O\n0.719435 0.821669 0.674709 O\n0.544389 0.172174 0.175730 O\n0.281040 0.177856 0.325175 O\n0.691600 0.077926 0.891745 O\n0.235257 0.074329 0.606213 O\n0.302373 0.922726 0.108470 O\n0.765601 0.925445 0.393533 O\n0.271932 0.962163 0.961029 O\n0.768430 0.962961 0.538704 O\n0.727550 0.030419 0.040505 O\n0.232248 0.036668 0.460982 O\n0.812312 0.672133 0.949980 O\n0.528570 0.662737 0.547993 O\n0.193265 0.340911 0.052766 O\n0.472252 0.337286 0.451639 O\n",
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],
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"formula_full": "Ba2 Li3 La3 Mo8 O32",
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{
"id": "mp-1244975",
"created_at": "2022-09-04T14:39:18.108010Z",
"structure_string": "Ga50 N50\n1.0\n12.147539 -0.454414 -0.328545\n-0.424211 10.715000 0.181409\n-0.317145 0.184580 11.582167\nGa N\n50 50\ndirect\n0.766583 0.941144 0.433445 Ga\n0.497276 0.231554 0.398691 Ga\n0.994998 0.101278 0.707324 Ga\n0.510693 0.644403 0.374764 Ga\n0.494808 0.412741 0.250101 Ga\n0.810967 0.748858 0.699841 Ga\n0.711254 0.664263 0.934185 Ga\n0.884295 0.604792 0.310881 Ga\n0.748459 0.263982 0.345300 Ga\n0.132300 0.530018 0.923006 Ga\n0.828294 0.937528 0.893977 Ga\n0.239984 0.948768 0.116734 Ga\n0.681012 0.504192 0.438219 Ga\n0.736683 0.379390 0.159598 Ga\n0.137592 0.354146 0.490621 Ga\n0.238041 0.640187 0.705049 Ga\n0.905145 0.085459 0.215240 Ga\n0.691416 0.642209 0.214429 Ga\n0.908175 0.587536 0.049241 Ga\n0.971068 0.004112 0.035745 Ga\n0.027190 0.875664 0.379652 Ga\n0.295091 0.479213 0.063839 Ga\n0.981207 0.380424 0.289908 Ga\n0.421152 0.766384 0.136966 Ga\n0.003959 0.526721 0.731626 Ga\n0.372750 0.047867 0.357752 Ga\n0.367971 0.181619 0.107630 Ga\n0.074673 0.615342 0.514348 Ga\n0.085219 0.823121 0.651299 Ga\n0.814161 0.177269 0.769505 Ga\n0.213779 0.493892 0.261352 Ga\n0.646736 0.747159 0.547677 Ga\n0.335995 0.724018 0.902862 Ga\n0.055615 0.798972 0.902705 Ga\n0.542672 0.944608 0.504016 Ga\n0.192370 0.049954 0.882025 Ga\n0.598306 0.907746 0.807909 Ga\n0.546524 0.562869 0.016451 Ga\n0.378298 0.824182 0.628923 Ga\n0.875431 0.835443 0.154599 Ga\n0.680379 0.147062 0.987790 Ga\n0.633858 0.919235 0.221601 Ga\n0.157775 0.166810 0.277072 Ga\n0.817559 0.370115 0.883787 Ga\n0.451656 0.937771 0.968794 Ga\n0.117188 0.694067 0.177429 Ga\n0.971429 0.129205 0.444564 Ga\n0.266357 0.770544 0.387032 Ga\n0.916685 0.398375 0.557821 Ga\n0.717235 0.211277 0.588101 Ga\n0.213759 0.525691 0.507970 N\n0.890727 0.621936 0.792921 N\n0.710818 0.112742 0.438241 N\n0.020854 0.246324 0.564952 N\n0.129537 0.790813 0.480627 N\n0.058552 0.655281 0.018802 N\n0.139107 0.334266 0.319762 N\n0.762579 0.365543 0.500079 N\n0.462580 0.168636 0.691032 N\n0.642298 0.439979 0.723403 N\n0.973861 0.502202 0.421885 N\n0.568081 0.750902 0.231058 N\n0.479228 0.371512 0.908817 N\n0.787540 0.696528 0.085566 N\n0.403263 0.620952 0.031545 N\n0.515114 0.279792 0.898339 N\n0.506878 0.025092 0.255763 N\n0.926704 0.950941 0.499336 N\n0.387160 0.353595 0.126436 N\n0.890182 0.476223 0.182535 N\n0.228362 0.306999 0.815301 N\n0.260403 0.341574 0.730510 N\n0.423654 0.478020 0.573059 N\n0.985814 0.751086 0.259664 N\n0.220265 0.065618 0.593064 N\n0.262973 0.792583 0.209883 N\n0.728899 0.805133 0.829043 N\n0.380572 0.894419 0.457641 N\n0.240924 0.150319 0.534854 N\n0.073103 0.243825 0.051001 N\n0.955245 0.926924 0.620345 N\n0.113986 0.945715 0.004725 N\n0.418831 0.083812 0.730985 N\n0.897561 0.223940 0.320288 N\n0.275253 0.088281 0.223025 N\n0.045722 0.047982 0.321096 N\n0.606413 0.532687 0.729917 N\n0.037014 0.332520 0.014496 N\n0.835474 0.557047 0.886485 N\n0.712039 0.056232 0.859027 N\n0.791010 0.942137 0.260797 N\n0.248968 0.579199 0.404763 N\n0.599454 0.120616 0.488636 N\n0.331110 0.052363 0.992469 N\n0.612693 0.488193 0.156208 N\n0.539539 0.858066 0.653373 N\n0.584228 0.047886 0.088701 N\n0.515456 0.094808 0.162500 N\n0.447852 0.385886 0.545111 N\n0.743299 0.304227 0.015063 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.622710585951313,
"density_atomic": 0.0664963898137968,
"volume": 1503.8410397920852,
"volume_molar": 9.0563424222927,
"formula_full": "Ga50 N50",
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"updated_at": "2021-11-28T01:34:33.026000Z",
"spacegroup": 1
},
{
"id": "mp-1073904",
"created_at": "2022-09-04T14:39:17.923160Z",
"structure_string": "Mg12 Si10\n1.0\n5.344139 0.000000 0.000000\n-0.011220 6.286027 0.000000\n-2.638116 -1.346306 13.070759\nMg Si\n12 10\ndirect\n0.319492 0.205136 0.985121 Mg\n0.165786 0.209187 0.511131 Mg\n0.835269 0.633210 0.673442 Mg\n0.126879 0.923618 0.313461 Mg\n0.281400 0.521008 0.192455 Mg\n0.658865 0.913626 0.866430 Mg\n0.708166 0.134830 0.648663 Mg\n0.615134 0.463755 0.427413 Mg\n0.872089 0.201547 0.078682 Mg\n0.670546 0.426754 0.874899 Mg\n0.183847 0.681344 0.953201 Mg\n0.731662 0.722870 0.092900 Mg\n0.625047 0.031751 0.431470 Si\n0.949442 0.792188 0.502986 Si\n0.121810 0.968478 0.797425 Si\n0.652278 0.084870 0.255971 Si\n0.111440 0.531746 0.386474 Si\n0.367322 0.466194 0.679764 Si\n0.121534 0.353634 0.797582 Si\n0.780735 0.452931 0.240161 Si\n0.287905 0.936717 0.132498 Si\n0.313191 0.840935 0.654283 Si\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Mg12 Si10",
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},
{
"id": "mp-780519",
"created_at": "2022-09-04T14:39:18.060134Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.829730 0.000000 0.000000\n0.249521 5.776789 0.000000\n0.324607 0.763050 7.770630\nFe O F\n6 4 8\ndirect\n0.497458 0.831571 0.664725 Fe\n0.521680 0.480797 0.998959 Fe\n0.479639 0.189503 0.337067 Fe\n0.999325 0.336224 0.663343 Fe\n0.019195 0.652300 0.327192 Fe\n0.978920 0.013131 0.009897 Fe\n0.699120 0.195093 0.106468 O\n0.676288 0.550494 0.771117 O\n0.319787 0.116623 0.564968 O\n0.316629 0.465891 0.220142 O\n0.791787 0.360032 0.432386 F\n0.803777 0.024265 0.778371 F\n0.800626 0.712067 0.090004 F\n0.706395 0.862909 0.429563 F\n0.285752 0.809616 0.904861 F\n0.199783 0.974068 0.223578 F\n0.207436 0.640033 0.571076 F\n0.196402 0.285383 0.906286 F\n",
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"elements": [
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],
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"density": 4.220640083616098,
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"volume": 216.80315014287316,
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"formula_full": "Fe6 O4 F8",
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},
{
"id": "mp-649632",
"created_at": "2022-09-04T14:39:18.066203Z",
"structure_string": "K4 Co4 C16 O16\n1.0\n5.738252 0.000000 0.000000\n-2.858244 10.991257 0.000000\n-2.846213 -2.451392 11.559374\nK Co C O\n4 4 16 16\ndirect\n0.942528 0.214531 0.058686 K\n0.664604 0.290245 0.444714 K\n0.066181 0.786450 0.939036 K\n0.336225 0.713727 0.555909 K\n0.434606 0.511156 0.255705 Co\n0.332653 0.010190 0.755840 Co\n0.666955 0.991551 0.244618 Co\n0.572257 0.490276 0.743840 Co\n0.463476 0.600968 0.812292 C\n0.543463 0.921557 0.346293 C\n0.709552 0.624207 0.338606 C\n0.277660 0.581041 0.154569 C\n0.765450 0.537263 0.657591 C\n0.739356 0.875663 0.161946 C\n0.727844 0.420643 0.845687 C\n0.252042 0.124234 0.837097 C\n0.545309 0.399834 0.189462 C\n0.432814 0.038391 0.159788 C\n0.298466 0.375545 0.662961 C\n0.231534 0.462502 0.337194 C\n0.460574 0.080038 0.655296 C\n0.045075 0.899841 0.687857 C\n0.956203 0.101588 0.310719 C\n0.566960 0.962063 0.839072 C\n0.897670 0.560824 0.597297 O\n0.458845 0.869110 0.411180 O\n0.550354 0.129889 0.590430 O\n0.375557 0.671284 0.856041 O\n0.841930 0.831080 0.644284 O\n0.191230 0.200840 0.888391 O\n0.634823 0.328872 0.147583 O\n0.899084 0.699569 0.390743 O\n0.110293 0.299838 0.610023 O\n0.263592 0.061015 0.098843 O\n0.170709 0.629764 0.089338 O\n0.821136 0.368833 0.912239 O\n0.159669 0.171101 0.352091 O\n0.734673 0.935306 0.896466 O\n0.093322 0.435762 0.394332 O\n0.794003 0.797874 0.108657 O\n",
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"elements": [
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"Co",
"C",
"O"
],
"chemical_system": "C-Co-K-O",
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"formula_full": "K4 Co4 C16 O16",
"formula_reduced": "KCo(CO)4",
"formula_anonymous": "ABC4D4",
"energy": -298.57782647,
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},
{
"id": "mp-1290242",
"created_at": "2022-09-04T14:39:17.965153Z",
"structure_string": "Na6 Co10 O20\n1.0\n2.852993 1.649567 -5.561408\n5.731742 3.263715 5.564640\n5.765476 -4.986287 0.019645\nNa Co O\n6 10 20\ndirect\n0.136049 0.631592 0.799481 Na\n0.636938 0.130283 0.799805 Na\n0.039289 0.532444 0.192957 Na\n0.536416 0.034343 0.199600 Na\n0.234853 0.732663 0.402700 Na\n0.735450 0.229365 0.399045 Na\n0.790629 0.801885 0.800077 Co\n0.000733 0.999265 0.001584 Co\n0.603856 0.600476 0.600444 Co\n0.197273 0.201118 0.197513 Co\n0.394819 0.403047 0.400483 Co\n0.295978 0.306505 0.802893 Co\n0.504026 0.498387 0.999507 Co\n0.108920 0.099473 0.593138 Co\n0.695092 0.701110 0.201300 Co\n0.894891 0.900037 0.400245 Co\n0.014733 0.188389 0.812811 O\n0.518716 0.689950 0.797692 O\n0.072370 0.899626 0.812569 O\n0.578381 0.405814 0.800562 O\n0.912392 0.091446 0.196055 O\n0.413000 0.593937 0.199158 O\n0.104013 0.293887 0.394113 O\n0.609753 0.791942 0.397416 O\n0.216524 0.396635 0.998180 O\n0.710742 0.894307 0.003552 O\n0.313224 0.498303 0.605342 O\n0.803695 0.988477 0.602060 O\n0.787096 0.612948 0.999862 O\n0.286064 0.111286 0.997813 O\n0.886357 0.711175 0.603146 O\n0.395894 0.217739 0.605152 O\n0.690296 0.515333 0.391636 O\n0.187372 0.002615 0.388526 O\n0.977646 0.805565 0.202123 O\n0.484520 0.304627 0.201457 O\n",
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"elements": [
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],
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"density": 4.3950498960064035,
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"formula_full": "Na6 Co10 O20",
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"energy": -230.13592192,
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"updated_at": "2021-11-28T01:34:43.974000Z",
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}
]
}