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{
"id": "mp-1174116",
"created_at": "2022-09-04T14:48:26.019536Z",
"structure_string": "Li5 Co3 O8\n1.0\n1.441735 9.546433 0.000000\n-1.441735 9.546433 0.000000\n0.000000 0.400018 5.040743\nLi Co O\n5 3 8\ndirect\n0.122197 0.122197 0.618202 Li\n0.877803 0.877803 0.381798 Li\n0.621835 0.621835 0.124142 Li\n0.378165 0.378165 0.875858 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.750383 0.750383 0.749880 Co\n0.249617 0.249617 0.250120 Co\n0.554520 0.554520 0.833581 O\n0.310056 0.310056 0.569818 O\n0.055284 0.055284 0.273246 O\n0.808341 0.808341 0.074309 O\n0.689944 0.689944 0.430182 O\n0.445480 0.445480 0.166419 O\n0.191659 0.191659 0.925691 O\n0.944716 0.944716 0.726754 O\n",
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{
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"structure_string": "Na8 Li8 Mn2 Fe6 P8 O32 F8\n1.0\n11.122789 0.000000 0.000000\n0.000000 6.440123 0.000000\n0.000000 6.392631 11.627793\nNa Li Mn Fe P O F\n8 8 2 6 8 32 8\ndirect\n0.273476 0.853551 0.153510 Na\n0.773476 0.146449 0.346490 Na\n0.726477 0.660314 0.846845 Na\n0.226477 0.339686 0.653155 Na\n0.726524 0.146449 0.846490 Na\n0.226524 0.853551 0.653510 Na\n0.273523 0.339686 0.153155 Na\n0.773523 0.660314 0.346845 Na\n0.222754 0.342134 0.908059 Li\n0.722754 0.657866 0.591941 Li\n0.777246 0.657866 0.091941 Li\n0.277246 0.342134 0.408059 Li\n0.549365 0.017516 0.232216 Li\n0.049365 0.982484 0.267784 Li\n0.450635 0.982484 0.767784 Li\n0.950635 0.017516 0.732216 Li\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.253946 0.829579 0.419661 P\n0.753946 0.170421 0.080339 P\n0.746054 0.170421 0.580339 P\n0.246054 0.829579 0.919661 P\n0.459789 0.493416 0.756787 P\n0.959789 0.506584 0.743213 P\n0.540211 0.506584 0.243213 P\n0.040211 0.493416 0.256787 P\n0.009395 0.378947 0.869436 O\n0.509395 0.621053 0.630564 O\n0.990605 0.621053 0.130564 O\n0.490605 0.378947 0.369436 O\n0.127677 0.766803 0.481659 O\n0.627677 0.233197 0.018341 O\n0.872323 0.233197 0.518341 O\n0.372323 0.766803 0.981659 O\n0.321197 0.491658 0.758698 O\n0.821197 0.508342 0.741302 O\n0.678803 0.508342 0.241302 O\n0.178803 0.491658 0.258698 O\n0.491214 0.369991 0.180026 O\n0.991214 0.630009 0.319974 O\n0.509386 0.233109 0.816504 O\n0.009386 0.766891 0.683496 O\n0.508786 0.630009 0.819974 O\n0.008786 0.369991 0.680026 O\n0.490614 0.766891 0.183496 O\n0.990614 0.233109 0.316504 O\n0.320366 0.588694 0.462129 O\n0.820366 0.411306 0.037871 O\n0.680333 0.013680 0.537612 O\n0.180333 0.986320 0.962388 O\n0.679634 0.411306 0.537871 O\n0.179634 0.588694 0.962129 O\n0.319667 0.986320 0.462388 O\n0.819667 0.013680 0.037612 O\n0.234497 0.960011 0.289862 O\n0.734497 0.039989 0.210138 O\n0.765503 0.039989 0.710138 O\n0.265503 0.960011 0.789862 O\n0.063246 0.143297 0.106726 F\n0.563246 0.856703 0.393274 F\n0.936754 0.856703 0.893274 F\n0.436754 0.143297 0.606726 F\n0.368422 0.223130 0.028492 F\n0.868422 0.776870 0.471508 F\n0.631578 0.776870 0.971508 F\n0.131578 0.223130 0.528492 F\n",
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"formula_full": "Na8 Li8 Mn2 Fe6 P8 O32 F8",
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{
"id": "mp-626631",
"created_at": "2022-09-04T14:48:26.031758Z",
"structure_string": "Al8 H24 O24\n1.0\n9.459352 0.000000 0.000000\n0.000000 5.235569 0.000000\n0.000000 0.339420 8.672722\nAl H O\n8 24 24\ndirect\n0.515734 0.014718 0.963493 Al\n0.507044 0.523279 0.443935 Al\n0.007044 0.476721 0.556065 Al\n0.015734 0.985282 0.036507 Al\n0.510608 0.009218 0.605457 Al\n0.491810 0.505624 0.099886 Al\n0.991810 0.494376 0.900114 Al\n0.010608 0.990782 0.394543 Al\n0.192560 0.635301 0.349516 H\n0.362893 0.811921 0.249058 H\n0.605140 0.710949 0.797372 H\n0.105140 0.289051 0.202628 H\n0.692560 0.364699 0.650484 H\n0.862893 0.188079 0.750942 H\n0.679918 0.292960 0.251215 H\n0.284638 0.139704 0.821569 H\n0.395364 0.363243 0.760243 H\n0.895364 0.636757 0.239757 H\n0.784638 0.860296 0.178431 H\n0.179918 0.707040 0.748785 H\n0.717239 0.808425 0.479733 H\n0.217239 0.191575 0.520267 H\n0.296214 0.179359 0.080689 H\n0.796214 0.820641 0.919311 H\n0.383237 0.155275 0.356032 H\n0.715742 0.317402 0.983926 H\n0.215742 0.682598 0.016074 H\n0.883237 0.844725 0.643968 H\n0.606487 0.888208 0.225204 H\n0.299813 0.718285 0.564472 H\n0.799813 0.281715 0.435528 H\n0.106487 0.111792 0.774796 H\n0.385456 0.635445 0.280456 O\n0.613518 0.897449 0.783559 O\n0.113518 0.102551 0.216441 O\n0.885456 0.364555 0.719544 O\n0.605191 0.414516 0.268285 O\n0.389713 0.175589 0.776530 O\n0.889713 0.824411 0.223470 O\n0.105191 0.585484 0.731715 O\n0.408146 0.730108 0.974494 O\n0.614280 0.826975 0.460017 O\n0.114280 0.173025 0.539983 O\n0.908146 0.269892 0.025506 O\n0.613037 0.317431 0.584242 O\n0.397302 0.194911 0.100641 O\n0.897302 0.805089 0.899359 O\n0.113037 0.682569 0.415758 O\n0.394885 0.208521 0.462439 O\n0.613045 0.337947 0.958875 O\n0.113045 0.662053 0.041125 O\n0.894885 0.791479 0.537561 O\n0.643878 0.881748 0.119623 O\n0.398984 0.703917 0.596428 O\n0.898984 0.296083 0.403572 O\n0.143878 0.118252 0.880377 O\n",
"nsites": 56,
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"H",
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"formula_full": "Al8 H24 O24",
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"updated_at": "2021-11-28T01:39:38.027000Z",
"spacegroup": 4
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{
"id": "mp-1185966",
"created_at": "2022-09-04T14:48:27.014874Z",
"structure_string": "Mg1 Sc3\n1.0\n1.630792 -2.824615 0.000000\n1.630792 2.824615 0.000000\n0.000000 0.000000 10.623160\nMg Sc\n1 3\ndirect\n0.333333 0.666667 0.500000 Mg\n0.666667 0.333333 0.757359 Sc\n0.333333 0.666667 0.000000 Sc\n0.666667 0.333333 0.242641 Sc\n",
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{
"id": "mp-1028854",
"created_at": "2022-09-04T14:48:25.993382Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.699651 -2.943882 0.000000\n1.699651 2.943882 0.000000\n0.000000 0.000000 38.722837\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.330195 Te\n0.000000 0.000000 0.706205 Te\n0.000000 0.000000 0.233438 Te\n0.000000 0.000000 0.608841 Te\n0.000000 0.000000 0.469668 Mo\n0.333333 0.666667 0.281820 Mo\n0.000000 0.000000 0.093896 W\n0.333333 0.666667 0.657546 W\n0.333333 0.666667 0.051150 Se\n0.333333 0.666667 0.136657 Se\n0.333333 0.666667 0.430882 S\n0.333333 0.666667 0.508450 S\n",
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{
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{
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{
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"created_at": "2022-09-04T14:48:26.000908Z",
"structure_string": "Mg2 Cd4\n1.0\n1.595293 5.831798 0.000000\n-1.595293 5.831798 0.000000\n0.000000 2.028446 7.101148\nMg Cd\n2 4\ndirect\n0.526938 0.526938 0.196431 Mg\n0.473062 0.473062 0.803569 Mg\n0.808782 0.808782 0.137167 Cd\n0.136946 0.136946 0.471645 Cd\n0.863054 0.863054 0.528355 Cd\n0.191218 0.191218 0.862833 Cd\n",
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{
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"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.239086 0.000000 0.000000\n0.067689 9.055538 0.000000\n0.042963 0.039026 10.158207\nLi Fe B O\n3 8 8 24\ndirect\n0.336388 0.323653 0.898246 Li\n0.656090 0.678858 0.664217 Li\n0.689609 0.670177 0.166516 Li\n0.150594 0.847342 0.628103 Fe\n0.182240 0.487150 0.135710 Fe\n0.322727 0.985546 0.877163 Fe\n0.320492 0.663711 0.383908 Fe\n0.671610 0.333367 0.629241 Fe\n0.674087 0.010453 0.125742 Fe\n0.836913 0.163658 0.376262 Fe\n0.827075 0.503784 0.886001 Fe\n0.173633 0.502979 0.628645 B\n0.173621 0.830015 0.129412 B\n0.338883 0.000642 0.372416 B\n0.323343 0.662217 0.873061 B\n0.650813 0.997365 0.627867 B\n0.668530 0.333769 0.125063 B\n0.830210 0.496168 0.379806 B\n0.831252 0.165697 0.878332 B\n0.086794 0.504047 0.347142 O\n0.089041 0.153188 0.879044 O\n0.183609 0.791219 0.842974 O\n0.257781 0.867319 0.423178 O\n0.184009 0.120172 0.372160 O\n0.200293 0.536806 0.919274 O\n0.322125 0.382055 0.651131 O\n0.327818 0.940729 0.076595 O\n0.288069 0.633384 0.582476 O\n0.300502 0.704640 0.178756 O\n0.416932 0.320072 0.097559 O\n0.411891 0.004144 0.688056 O\n0.590677 0.008937 0.322377 O\n0.581354 0.663251 0.852055 O\n0.707988 0.292429 0.828417 O\n0.734905 0.363346 0.429947 O\n0.671826 0.613655 0.359246 O\n0.674238 0.056244 0.931300 O\n0.799256 0.464697 0.098983 O\n0.781172 0.869992 0.618926 O\n0.748218 0.129802 0.573971 O\n0.806389 0.209328 0.173709 O\n0.913229 0.844665 0.133592 O\n0.909512 0.503812 0.654826 O\n",
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{
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"elements": [
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"chemical_system": "As-Cl",
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"formula_full": "As4 Cl12",
"formula_reduced": "AsCl3",
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{
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"structure_string": "Cs2 In1 Au1 Br6\n1.0\n0.000000 5.598479 5.598479\n5.598479 0.000000 5.598479\n5.598479 5.598479 0.000000\nCs In Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Au\n0.752506 0.247494 0.247494 Br\n0.247494 0.247494 0.752506 Br\n0.247494 0.752506 0.752506 Br\n0.247494 0.752506 0.247494 Br\n0.752506 0.247494 0.752506 Br\n0.752506 0.752506 0.247494 Br\n",
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{
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"structure_string": "Nd2 Sm6 Sb6\n1.0\n6.669211 4.709957 0.000000\n-6.669211 4.709957 0.000000\n0.000000 4.709560 6.654614\nNd Sm Sb\n2 6 6\ndirect\n0.499968 0.641966 0.999915 Nd\n0.641966 0.499968 0.499915 Nd\n0.142753 0.499561 0.499798 Sm\n0.999558 0.999238 0.858086 Sm\n0.358028 0.857437 0.642359 Sm\n0.499561 0.142753 0.999798 Sm\n0.999238 0.999558 0.358086 Sm\n0.857437 0.358028 0.142359 Sm\n0.625970 0.878568 0.249166 Sb\n0.878568 0.625970 0.749166 Sb\n0.373232 0.246721 0.376157 Sb\n0.125688 0.751311 0.124520 Sb\n0.751311 0.125688 0.624520 Sb\n0.246721 0.373232 0.876157 Sb\n",
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"chemical_system": "Nd-Sb-Sm",
"density": 7.6309448456790445,
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"volume": 418.06543769145816,
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"formula_full": "Nd2 Sm6 Sb6",
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]
}