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{
"id": "mp-753264",
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"structure_string": "Li4 V4 P4 O20\n1.0\n5.393435 -0.569665 0.694372\n2.679717 4.020131 5.911955\n0.087677 -9.054398 5.586055\nLi V P O\n4 4 4 20\ndirect\n0.673764 0.500648 0.884458 Li\n0.173690 0.000950 0.384649 Li\n0.326420 0.499007 0.115341 Li\n0.826175 0.999388 0.615519 Li\n0.243693 0.084294 0.800457 V\n0.255893 0.415919 0.699506 V\n0.744039 0.584119 0.300484 V\n0.756277 0.915751 0.199586 V\n0.963226 0.240612 0.087936 P\n0.463077 0.740795 0.587966 P\n0.036867 0.759208 0.912058 P\n0.536839 0.259354 0.412040 P\n0.292227 0.654318 0.963492 O\n0.792084 0.154586 0.463610 O\n0.707967 0.345413 0.036401 O\n0.207757 0.845701 0.536495 O\n0.513072 0.771234 0.242261 O\n0.012715 0.271328 0.742154 O\n0.486909 0.228825 0.757799 O\n0.987296 0.728635 0.257782 O\n0.449528 0.581382 0.671716 O\n0.949651 0.081289 0.171768 O\n0.550497 0.418663 0.328209 O\n0.050281 0.918666 0.828308 O\n0.027059 0.386869 0.173353 O\n0.526872 0.887018 0.673447 O\n0.972979 0.613035 0.826587 O\n0.473132 0.113034 0.326625 O\n0.217961 0.150991 0.978149 O\n0.717812 0.651299 0.478178 O\n0.782223 0.848685 0.021895 O\n0.282015 0.348983 0.521771 O\n",
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},
{
"id": "mp-1182856",
"created_at": "2022-09-04T14:48:25.794996Z",
"structure_string": "Ba6 B12 O24\n1.0\n7.641570 4.196184 2.812286\n-4.785187 4.250019 4.308613\n-2.704862 -10.545088 8.165336\nBa B O\n6 12 24\ndirect\n0.877759 0.667729 0.389652 Ba\n0.488107 0.167729 0.610348 Ba\n0.046957 0.239733 0.354443 Ba\n0.081786 0.483325 0.655195 Ba\n0.426590 0.983325 0.344805 Ba\n0.692514 0.739733 0.645557 Ba\n0.080725 0.803311 0.212721 B\n0.868005 0.303311 0.787279 B\n0.898791 0.075902 0.832524 B\n0.995161 0.798383 0.931284 B\n0.063877 0.298383 0.068716 B\n0.066267 0.575902 0.167476 B\n0.517927 0.611772 0.191598 B\n0.326328 0.111772 0.808402 B\n0.391726 0.827412 0.795521 B\n0.474934 0.563845 0.909565 B\n0.565369 0.063845 0.090435 B\n0.596205 0.327412 0.204479 B\n0.776914 0.172954 0.828842 O\n0.948072 0.672954 0.171158 O\n0.096119 0.963934 0.238858 O\n0.075823 0.193687 0.006411 O\n0.069412 0.693687 0.993589 O\n0.857261 0.463934 0.761142 O\n0.050528 0.400212 0.140209 O\n0.910319 0.900212 0.859791 O\n0.201589 0.679002 0.218813 O\n0.293475 0.131796 0.443320 O\n0.850155 0.631796 0.556680 O\n0.982776 0.179002 0.781187 O\n0.563609 0.760876 0.226154 O\n0.337455 0.260876 0.773846 O\n0.564291 0.475466 0.975112 O\n0.476738 0.448558 0.164111 O\n0.312627 0.948558 0.835889 O\n0.589178 0.975466 0.024888 O\n0.376944 0.657601 0.839840 O\n0.537103 0.157601 0.160160 O\n0.612967 0.982756 0.524103 O\n0.727747 0.363826 0.278420 O\n0.449327 0.863826 0.721580 O\n0.088863 0.482756 0.475897 O\n",
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"B",
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"volume": 901.6672834282872,
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"formula_full": "Ba6 B12 O24",
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"spacegroup": 9
},
{
"id": "mp-1245089",
"created_at": "2022-09-04T14:48:25.790052Z",
"structure_string": "Co40 O40\n1.0\n10.069570 0.482136 -0.005117\n0.452197 10.002655 -0.225197\n0.015452 -0.219451 10.176912\nCo O\n40 40\ndirect\n0.350776 0.062033 0.030593 Co\n0.017632 0.597474 0.588034 Co\n0.050658 0.138846 0.663223 Co\n0.689186 0.711428 0.058224 Co\n0.144660 0.999139 0.169954 Co\n0.876009 0.554644 0.291428 Co\n0.956000 0.846663 0.825132 Co\n0.660609 0.367148 0.275704 Co\n0.504906 0.523143 0.730533 Co\n0.942532 0.327949 0.471303 Co\n0.326713 0.060334 0.432748 Co\n0.636124 0.156597 0.148603 Co\n0.205488 0.635409 0.254318 Co\n0.823023 0.931950 0.070118 Co\n0.774090 0.660371 0.792659 Co\n0.314425 0.651652 0.528707 Co\n0.443281 0.304540 0.948361 Co\n0.659366 0.566112 0.524543 Co\n0.228636 0.853132 0.680243 Co\n0.894746 0.160421 0.929063 Co\n0.477680 0.566877 0.273721 Co\n0.998343 0.833179 0.407249 Co\n0.448591 0.720565 0.956221 Co\n0.193151 0.852750 0.974186 Co\n0.418185 0.845228 0.225216 Co\n0.714015 0.447268 0.988692 Co\n0.997475 0.663069 0.065307 Co\n0.600215 0.980389 0.899864 Co\n0.990882 0.451159 0.828174 Co\n0.110777 0.321203 0.055554 Co\n0.265880 0.357477 0.652649 Co\n0.677539 0.965066 0.399666 Co\n0.363489 0.074295 0.703567 Co\n0.807765 0.020369 0.626234 Co\n0.782468 0.354000 0.679411 Co\n0.553412 0.219142 0.518080 Co\n0.916846 0.131118 0.258582 Co\n0.356864 0.273741 0.241065 Co\n0.219165 0.566433 0.839878 Co\n0.507910 0.869006 0.574014 Co\n0.848536 0.304219 0.301227 O\n0.615311 0.035662 0.596567 O\n0.213601 0.022528 0.601466 O\n0.214451 0.549244 0.638414 O\n0.292379 0.252302 0.052201 O\n0.323435 0.464128 0.265789 O\n0.290474 0.749925 0.835004 O\n0.001463 0.488940 0.424965 O\n0.000803 0.855607 0.016882 O\n0.674110 0.551896 0.338249 O\n0.477857 0.905241 0.028131 O\n0.240071 0.801805 0.147954 O\n0.095549 0.774232 0.553735 O\n0.522179 0.675922 0.130920 O\n0.614679 0.594922 0.877562 O\n0.500412 0.680354 0.605845 O\n0.748175 0.826436 0.909030 O\n0.029735 0.997794 0.328949 O\n0.296213 0.081945 0.245097 O\n0.545715 0.225609 0.318378 O\n0.604791 0.387621 0.606093 O\n0.080798 0.325332 0.693985 O\n0.107483 0.497244 0.986201 O\n0.489536 0.927887 0.389758 O\n0.827921 0.570691 0.095052 O\n0.819586 0.547468 0.635542 O\n0.942156 0.028977 0.775669 O\n0.007840 0.697515 0.263241 O\n0.590450 0.341098 0.077670 O\n0.840594 0.342406 0.865928 O\n0.350654 0.707864 0.364188 O\n0.873870 0.195844 0.574571 O\n0.729912 0.091504 0.988472 O\n0.372991 0.427695 0.817762 O\n0.014829 0.162754 0.090417 O\n0.761209 0.018158 0.237162 O\n0.980963 0.653521 0.804203 O\n0.453083 0.113914 0.860038 O\n0.830457 0.876049 0.490862 O\n0.364442 0.211713 0.555871 O\n",
"nsites": 80,
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"elements": [
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"density": 4.868444412489702,
"density_atomic": 0.07825288192509634,
"volume": 1022.3265652576988,
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"formula_full": "Co40 O40",
"formula_reduced": "CoO",
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{
"id": "mp-1358345",
"created_at": "2022-09-04T14:48:25.782270Z",
"structure_string": "Al10 Cu6 O21\n1.0\n2.924960 5.244430 0.000000\n-2.924960 5.244430 0.000000\n0.000000 1.248332 14.299122\nAl Cu O\n10 6 21\ndirect\n0.040577 0.040577 0.614436 Al\n0.330137 0.330137 0.289109 Al\n0.339977 0.825475 0.798862 Al\n0.653083 0.158072 0.466796 Al\n0.998918 0.497132 0.117319 Al\n0.829183 0.829183 0.801356 Al\n0.495988 0.495988 0.108440 Al\n0.825475 0.339977 0.798862 Al\n0.158072 0.653083 0.466796 Al\n0.497132 0.998918 0.117319 Al\n0.320137 0.320137 0.944371 Cu\n0.636818 0.636818 0.502293 Cu\n0.098161 0.098161 0.323852 Cu\n0.984808 0.984808 0.989727 Cu\n0.341285 0.341285 0.677944 Cu\n0.636881 0.636881 0.315351 Cu\n0.003726 0.003726 0.747952 O\n0.338275 0.338275 0.413732 O\n0.665490 0.665490 0.091698 O\n0.820402 0.300651 0.919634 O\n0.209376 0.708337 0.580220 O\n0.457454 0.004647 0.244915 O\n0.505597 0.991657 0.763271 O\n0.804622 0.318421 0.402541 O\n0.160826 0.664565 0.081011 O\n0.502121 0.502121 0.757894 O\n0.820427 0.820427 0.444859 O\n0.191204 0.191204 0.064892 O\n0.991657 0.505597 0.763271 O\n0.318421 0.804622 0.402541 O\n0.664565 0.160827 0.081011 O\n0.300651 0.820402 0.919634 O\n0.708337 0.209376 0.580220 O\n0.004647 0.457454 0.244915 O\n0.832987 0.832987 0.922153 O\n0.206494 0.206494 0.595922 O\n0.479841 0.479841 0.231765 O\n",
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"formula_full": "Al10 Cu6 O21",
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{
"id": "mp-1228213",
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"structure_string": "Ba4 Y2 Fe1 Cu5 O14\n1.0\n11.965390 3.886488 0.000000\n-11.965390 3.886488 0.000000\n0.000000 0.000144 3.854651\nBa Y Fe Cu O\n4 2 1 5 14\ndirect\n0.658572 0.844977 0.499507 Ba\n0.155023 0.341428 0.500493 Ba\n0.341428 0.155023 0.500493 Ba\n0.844977 0.658572 0.499507 Ba\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Fe\n0.821002 0.178998 0.000000 Cu\n0.320826 0.679174 0.000000 Cu\n0.679174 0.320826 0.000000 Cu\n0.178998 0.821002 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.921235 0.078765 0.000000 O\n0.421857 0.578143 0.000000 O\n0.578143 0.421857 0.000000 O\n0.078765 0.921235 0.000000 O\n0.810249 0.189751 0.500000 O\n0.309841 0.690159 0.500000 O\n0.560137 0.940313 0.999085 O\n0.059687 0.439863 0.000915 O\n0.690159 0.309841 0.500000 O\n0.189751 0.810249 0.500000 O\n0.439863 0.059687 0.000915 O\n0.940313 0.560137 0.999085 O\n0.750994 0.750994 0.938791 O\n0.249006 0.249006 0.061209 O\n",
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{
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"created_at": "2022-09-04T14:48:25.776538Z",
"structure_string": "H4 Br4\n1.0\n5.847569 0.000000 0.000000\n0.000000 6.032702 0.000000\n0.000000 0.000000 6.254172\nH Br\n4 4\ndirect\n0.446363 0.373128 0.672291 H\n0.946363 0.126872 0.327709 H\n0.053637 0.626872 0.172291 H\n0.553637 0.873128 0.827709 H\n0.743866 0.745167 0.747990 Br\n0.256134 0.245167 0.752010 Br\n0.243866 0.754833 0.252010 Br\n0.756134 0.254833 0.247990 Br\n",
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{
"id": "mp-754724",
"created_at": "2022-09-04T14:48:25.771474Z",
"structure_string": "Li4 Mn2 Nb2 O8\n1.0\n-2.954600 3.144127 4.489008\n2.954600 -3.144127 4.489008\n2.954600 3.144127 -4.489008\nLi Mn Nb O\n4 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.753110 0.749810 0.003300 O\n0.724336 0.225950 0.001613 O\n0.246511 0.749810 0.496700 O\n0.724336 0.722723 0.498386 O\n0.275664 0.277277 0.501613 O\n0.753489 0.250190 0.503300 O\n0.275664 0.774050 0.998386 O\n0.246890 0.250190 0.996700 O\n",
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{
"id": "mp-1094531",
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"structure_string": "Y4 Mg2\n1.0\n1.791163 6.330741 0.000000\n-1.791163 6.330741 0.000000\n0.000000 2.090470 7.792840\nY Mg\n4 2\ndirect\n0.823603 0.823603 0.124205 Y\n0.139639 0.139639 0.460531 Y\n0.860361 0.860361 0.539469 Y\n0.176397 0.176397 0.875795 Y\n0.528174 0.528174 0.203667 Mg\n0.471826 0.471826 0.796333 Mg\n",
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{
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{
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]
}