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{
"id": "mp-1021423",
"created_at": "2022-09-04T14:40:28.867182Z",
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{
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{
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"structure_string": "Yb12 Dy4 Sb12\n1.0\n9.385028 0.000000 0.000000\n0.000000 9.385028 0.000000\n0.000000 0.000000 9.385028\nYb Dy Sb\n12 4 12\ndirect\n0.823230 0.323230 0.176770 Yb\n0.930148 0.930148 0.930148 Yb\n0.825458 0.674542 0.325458 Yb\n0.176770 0.823230 0.323230 Yb\n0.174542 0.174542 0.174542 Yb\n0.325458 0.825458 0.674542 Yb\n0.069852 0.430148 0.569852 Yb\n0.323230 0.176770 0.823230 Yb\n0.674542 0.325458 0.825458 Yb\n0.676770 0.676770 0.676770 Yb\n0.569852 0.069852 0.430148 Yb\n0.430148 0.569852 0.069852 Yb\n0.070571 0.570571 0.929429 Dy\n0.929429 0.070571 0.570571 Dy\n0.429429 0.429429 0.429429 Dy\n0.570571 0.929429 0.070571 Dy\n0.746342 0.370426 0.500357 Sb\n0.870426 0.999643 0.253658 Sb\n0.000357 0.753658 0.629574 Sb\n0.246342 0.129574 0.499643 Sb\n0.129574 0.499643 0.246342 Sb\n0.999643 0.253658 0.870426 Sb\n0.253658 0.870426 0.999643 Sb\n0.370426 0.500357 0.746342 Sb\n0.499643 0.246342 0.129574 Sb\n0.753658 0.629574 0.000357 Sb\n0.629574 0.000357 0.753658 Sb\n0.500357 0.746342 0.370426 Sb\n",
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"elements": [
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"volume": 826.6215402179736,
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"formula_full": "Yb12 Dy4 Sb12",
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"energy": -118.44686888,
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},
{
"id": "mp-1201511",
"created_at": "2022-09-04T14:40:21.914989Z",
"structure_string": "Mg6 Al36 V4\n1.0\n0.000000 7.300019 7.300019\n7.300019 0.000000 7.300019\n7.300019 7.300019 0.000000\nMg Al V\n6 36 4\ndirect\n0.125000 0.625000 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n0.625000 0.625000 0.625000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Mg\n0.862754 0.862754 0.137246 Al\n0.137246 0.137246 0.862754 Al\n0.862754 0.137246 0.862754 Al\n0.137246 0.862754 0.137246 Al\n0.137246 0.862754 0.862754 Al\n0.862754 0.137246 0.137246 Al\n0.387246 0.387246 0.112754 Al\n0.112754 0.112754 0.387246 Al\n0.387246 0.112754 0.387246 Al\n0.112754 0.387246 0.112754 Al\n0.112754 0.387246 0.387246 Al\n0.387246 0.112754 0.112754 Al\n0.566417 0.298747 0.298747 Al\n0.298747 0.566417 0.836090 Al\n0.298747 0.836090 0.566417 Al\n0.836090 0.298747 0.298747 Al\n0.298747 0.298747 0.566417 Al\n0.566417 0.836090 0.298747 Al\n0.836090 0.566417 0.298747 Al\n0.298747 0.298747 0.836090 Al\n0.298747 0.566417 0.298747 Al\n0.836090 0.298747 0.566417 Al\n0.566417 0.298747 0.836090 Al\n0.298747 0.836090 0.298747 Al\n0.683583 0.951253 0.951253 Al\n0.951253 0.683583 0.413910 Al\n0.951253 0.413910 0.683583 Al\n0.413910 0.951253 0.951253 Al\n0.951253 0.951253 0.683583 Al\n0.683583 0.413910 0.951253 Al\n0.413910 0.683583 0.951253 Al\n0.951253 0.951253 0.413910 Al\n0.951253 0.683583 0.951253 Al\n0.413910 0.951253 0.683583 Al\n0.683583 0.951253 0.413910 Al\n0.951253 0.413910 0.951253 Al\n0.625000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.125000 0.125000 0.125000 V\n",
"nsites": 46,
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"elements": [
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"chemical_system": "Al-Mg-V",
"density": 2.819209764375307,
"density_atomic": 0.05912291856626767,
"volume": 778.0400750758117,
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"formula_full": "Mg6 Al36 V4",
"formula_reduced": "Mg3(Al9V)2",
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"energy": -187.10061602,
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"updated_at": "2021-11-28T01:34:56.492000Z",
"spacegroup": 227
},
{
"id": "mp-1217289",
"created_at": "2022-09-04T14:40:26.836732Z",
"structure_string": "Th1 Zr3\n1.0\n1.656243 -2.868697 0.000000\n1.656243 2.868697 0.000000\n0.000000 0.000000 10.784718\nTh Zr\n1 3\ndirect\n0.333333 0.666667 0.000000 Th\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.265062 Zr\n0.000000 0.000000 0.734938 Zr\n",
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"density": 8.194135971359845,
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"volume": 102.48198393799295,
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"formula_full": "Th1 Zr3",
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},
{
"id": "mp-13685",
"created_at": "2022-09-04T14:40:23.189464Z",
"structure_string": "Cr8 S12\n1.0\n3.012940 -5.218565 0.000000\n3.012940 5.218565 0.000000\n0.000000 0.000000 11.265034\nCr S\n8 12\ndirect\n0.666667 0.333333 0.482514 Cr\n0.666667 0.333333 0.017486 Cr\n0.333333 0.666667 0.517486 Cr\n0.333333 0.666667 0.982514 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.675436 0.653785 0.883495 S\n0.346215 0.021652 0.883495 S\n0.978348 0.324564 0.883495 S\n0.346215 0.324564 0.616505 S\n0.978348 0.653785 0.616505 S\n0.675436 0.021652 0.616505 S\n0.324564 0.346215 0.116505 S\n0.653785 0.978348 0.116505 S\n0.324564 0.978348 0.383495 S\n0.021652 0.346215 0.383495 S\n0.653785 0.675436 0.383495 S\n0.021652 0.675436 0.116505 S\n",
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"formula_full": "Cr8 S12",
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{
"id": "mp-1216343",
"created_at": "2022-09-04T14:40:24.239358Z",
"structure_string": "V1 Zn6 P3 O16\n1.0\n-0.017180 5.408127 -0.014202\n0.011134 -0.022293 8.437580\n7.751631 2.685343 -2.370433\nV Zn P O\n1 6 3 16\ndirect\n0.586643 0.028596 0.241393 V\n0.958836 0.256230 0.994320 Zn\n0.064445 0.744845 0.996010 Zn\n0.017549 0.226715 0.376545 Zn\n0.392887 0.288853 0.636147 Zn\n0.973587 0.785039 0.629267 Zn\n0.604733 0.709838 0.373438 Zn\n0.836764 0.468088 0.756720 P\n0.408242 0.964730 0.755752 P\n0.165131 0.534575 0.243997 P\n0.406268 0.529257 0.300001 O\n0.705456 0.966781 0.702115 O\n0.592323 0.472258 0.703680 O\n0.253624 0.028419 0.301273 O\n0.066063 0.352663 0.598325 O\n0.658262 0.163053 0.421161 O\n0.937397 0.648166 0.404920 O\n0.338794 0.849692 0.594515 O\n0.802597 0.409569 0.914761 O\n0.722074 0.099946 0.068724 O\n0.203148 0.590297 0.084059 O\n0.282704 0.906832 0.914202 O\n0.738635 0.828006 0.197969 O\n0.931018 0.647989 0.792488 O\n0.281573 0.145525 0.792918 O\n0.071247 0.354040 0.205298 O\n",
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{
"id": "mp-1649779",
"created_at": "2022-09-04T14:40:24.684871Z",
"structure_string": "Li14 Mn4 Co6 O24\n1.0\n2.825818 0.139031 0.681188\n1.248841 11.615460 -3.213758\n-2.934611 -0.187908 12.353512\nLi Mn Co O\n14 4 6 24\ndirect\n0.583834 0.832966 0.083249 Li\n0.085142 0.834488 0.582934 Li\n0.873345 0.250611 0.128807 Li\n0.374461 0.252593 0.626876 Li\n0.289867 0.415825 0.038362 Li\n0.791480 0.414574 0.537589 Li\n0.195637 0.590899 0.462221 Li\n0.693928 0.591645 0.962523 Li\n0.474647 0.075038 0.206592 Li\n0.973221 0.075562 0.704585 Li\n0.630840 0.748803 0.383342 Li\n0.130442 0.749188 0.883696 Li\n0.035709 0.917636 0.282501 Li\n0.536450 0.917556 0.782825 Li\n0.010733 0.996010 0.005451 Mn\n0.518575 0.995972 0.501011 Mn\n0.157411 0.670418 0.162145 Mn\n0.656364 0.671215 0.661555 Mn\n0.832996 0.333293 0.833100 Co\n0.730922 0.500047 0.253224 Co\n0.934111 0.165179 0.415188 Co\n0.325466 0.332581 0.335933 Co\n0.233711 0.501453 0.752782 Co\n0.432649 0.165567 0.913858 Co\n0.466400 0.112269 0.054640 O\n0.970957 0.114047 0.547686 O\n0.700077 0.553843 0.113261 O\n0.199124 0.555366 0.612918 O\n0.731867 0.449034 0.389369 O\n0.244575 0.448269 0.888924 O\n0.920249 0.215188 0.283696 O\n0.422169 0.218033 0.776916 O\n0.331780 0.285749 0.472107 O\n0.849796 0.284369 0.970975 O\n0.313300 0.379353 0.197099 O\n0.815383 0.382588 0.695914 O\n0.163772 0.618711 0.302085 O\n0.663099 0.619557 0.802914 O\n0.524757 0.046829 0.363515 O\n0.003428 0.047564 0.863704 O\n0.617158 0.775709 0.223476 O\n0.116314 0.776609 0.723387 O\n0.058182 0.890350 0.442002 O\n0.550221 0.891024 0.943280 O\n0.021075 0.963123 0.136250 O\n0.519947 0.966297 0.634595 O\n0.146924 0.703127 0.030594 O\n0.647509 0.703873 0.530344 O\n",
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"formula_full": "Li14 Mn4 Co6 O24",
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{
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"structure_string": "Mn2 Fe3 Cu10 Sn5 S20\n1.0\n5.528228 0.000000 0.000000\n0.000000 0.000000 10.895521\n-2.764114 -13.850420 5.447760\nMn Fe Cu Sn S\n2 3 10 5 20\ndirect\n0.799951 0.200049 0.599902 Mn\n0.400049 0.599951 0.800098 Mn\n0.000291 0.999709 0.000582 Fe\n0.600000 0.400000 0.200000 Fe\n0.199709 0.800291 0.399418 Fe\n0.501630 0.247377 0.000857 Cu\n0.296827 0.451757 0.598756 Cu\n0.903173 0.850513 0.801244 Cu\n0.100000 0.651300 0.200000 Cu\n0.698370 0.048234 0.399143 Cu\n0.898071 0.348243 0.801244 Cu\n0.700773 0.552623 0.399143 Cu\n0.301929 0.949487 0.598756 Cu\n0.499227 0.751766 0.000857 Cu\n0.100000 0.148700 0.200000 Cu\n0.400843 0.099157 0.801686 Sn\n0.198877 0.301123 0.397753 Sn\n0.799157 0.700843 0.598314 Sn\n0.001123 0.498877 0.002247 Sn\n0.600000 0.900000 0.200000 Sn\n0.206038 0.416280 0.898004 S\n0.814144 0.821123 0.093402 S\n0.413408 0.221459 0.292978 S\n0.012721 0.622106 0.492581 S\n0.605760 0.016235 0.697103 S\n0.786592 0.314437 0.107022 S\n0.385856 0.714525 0.306598 S\n0.993962 0.114283 0.501996 S\n0.594240 0.513338 0.702897 S\n0.187279 0.914686 0.907419 S\n0.091343 0.286662 0.697103 S\n0.691966 0.685717 0.898004 S\n0.279258 0.085475 0.093402 S\n0.879570 0.485563 0.292978 S\n0.479860 0.885314 0.492581 S\n0.720140 0.177894 0.907419 S\n0.320430 0.578541 0.107022 S\n0.920742 0.978877 0.306598 S\n0.508034 0.383720 0.501996 S\n0.108657 0.783765 0.702897 S\n",
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