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{
"id": "mp-1516548",
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"structure_string": "K1 Na1 W4 O12\n1.0\n5.545548 0.000000 -0.000000\n0.000000 5.545548 -0.000000\n0.000000 -0.000000 7.848586\nK Na W O\n1 1 4 12\ndirect\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.751040 W\n0.000000 0.500000 0.248960 W\n0.500000 0.000000 0.751040 W\n0.500000 0.000000 0.248960 W\n0.252139 0.252139 0.752336 O\n0.252139 0.252139 0.247664 O\n0.747861 0.747861 0.247664 O\n0.747861 0.747861 0.752336 O\n0.747861 0.252139 0.247664 O\n0.747861 0.252139 0.752336 O\n0.252139 0.747861 0.247664 O\n0.252139 0.747861 0.752336 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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{
"id": "mp-1026974",
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"structure_string": "Mo2 W2 Se6 S2\n1.0\n1.644291 -2.847995 0.000000\n1.644291 2.847995 0.000000\n0.000000 0.000000 37.343376\nMo W Se S\n2 2 6 2\ndirect\n0.000000 0.000000 0.093929 Mo\n0.333333 0.666667 0.281797 Mo\n0.000000 0.000000 0.469647 W\n0.333333 0.666667 0.657552 W\n0.000000 0.000000 0.702953 Se\n0.333333 0.666667 0.048789 Se\n0.333333 0.666667 0.424252 Se\n0.333333 0.666667 0.139062 Se\n0.333333 0.666667 0.515051 Se\n0.000000 0.000000 0.612118 Se\n0.000000 0.000000 0.322870 S\n0.000000 0.000000 0.240728 S\n",
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],
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"formula_full": "Mo2 W2 Se6 S2",
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},
{
"id": "mp-1246581",
"created_at": "2022-09-04T14:42:28.169075Z",
"structure_string": "Ca2 Pd1 N2\n1.0\n3.561186 0.000000 0.000000\n0.000000 3.561256 -0.000019\n-1.780593 -1.780663 6.372197\nCa Pd N\n2 1 2\ndirect\n0.155385 0.155442 0.810770 Ca\n0.844615 0.844558 0.189230 Ca\n0.500000 0.500000 0.500000 Pd\n0.653054 0.653008 0.806107 N\n0.346946 0.346992 0.193893 N\n",
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{
"id": "mp-1076449",
"created_at": "2022-09-04T14:42:28.186195Z",
"structure_string": "Sr4 Ca28 Mn28 Fe4 O80\n1.0\n-0.010196 0.009284 10.906237\n11.136304 0.006036 -0.010406\n-5.554566 15.361377 -5.434996\nSr Ca Mn Fe O\n4 28 28 4 80\ndirect\n0.307714 0.561267 0.610005 Sr\n0.057673 0.299015 0.610906 Sr\n0.559689 0.299419 0.611280 Sr\n0.447353 0.199934 0.888469 Sr\n0.305886 0.063875 0.108679 Ca\n0.304696 0.059243 0.604391 Ca\n0.306321 0.564523 0.108738 Ca\n0.805532 0.062563 0.107554 Ca\n0.805086 0.061218 0.606448 Ca\n0.807296 0.563927 0.108906 Ca\n0.807257 0.563456 0.606522 Ca\n0.197793 0.436435 0.391755 Ca\n0.198195 0.437987 0.894468 Ca\n0.198752 0.935815 0.391239 Ca\n0.197401 0.937192 0.892808 Ca\n0.699552 0.436573 0.392515 Ca\n0.700112 0.438177 0.894981 Ca\n0.698965 0.936291 0.392103 Ca\n0.699737 0.936973 0.893278 Ca\n0.057048 0.294163 0.108361 Ca\n0.056256 0.793475 0.108040 Ca\n0.055838 0.795786 0.606874 Ca\n0.557465 0.295521 0.109363 Ca\n0.556141 0.794119 0.108408 Ca\n0.556431 0.795758 0.606674 Ca\n0.448843 0.204874 0.391770 Ca\n0.448929 0.706097 0.392373 Ca\n0.449156 0.707186 0.894355 Ca\n0.948254 0.205419 0.391711 Ca\n0.949823 0.205996 0.891640 Ca\n0.948936 0.705447 0.392059 Ca\n0.948044 0.706041 0.892788 Ca\n0.004865 0.998648 0.498808 Mn\n0.003771 0.500188 0.497837 Mn\n0.505811 0.998473 0.498555 Mn\n0.506364 0.501243 0.001392 Mn\n0.505034 0.499537 0.497664 Mn\n0.255745 0.251078 0.000969 Mn\n0.253674 0.247180 0.496876 Mn\n0.255829 0.750742 0.000497 Mn\n0.254747 0.750070 0.497920 Mn\n0.756988 0.250478 0.000698 Mn\n0.754499 0.248843 0.498289 Mn\n0.755544 0.749954 0.499250 Mn\n0.110335 0.096018 0.249240 Mn\n0.107727 0.093198 0.749132 Mn\n0.112118 0.596516 0.250157 Mn\n0.109474 0.601474 0.752082 Mn\n0.610991 0.097152 0.250408 Mn\n0.614182 0.092593 0.748849 Mn\n0.611399 0.596709 0.250924 Mn\n0.616446 0.602104 0.752381 Mn\n0.359928 0.405011 0.250611 Mn\n0.363404 0.405288 0.752688 Mn\n0.360801 0.903034 0.249912 Mn\n0.360476 0.901427 0.748267 Mn\n0.859626 0.403915 0.249437 Mn\n0.864415 0.402872 0.751433 Mn\n0.860854 0.902951 0.250705 Mn\n0.860698 0.901232 0.749286 Mn\n0.005712 0.000223 0.000014 Fe\n0.006539 0.499869 0.000516 Fe\n0.505718 0.000779 0.001698 Fe\n0.755995 0.750208 0.001333 Fe\n0.122485 0.116903 0.485161 O\n0.124535 0.122460 0.988310 O\n0.120973 0.621544 0.485524 O\n0.125451 0.622682 0.987227 O\n0.622287 0.117493 0.484540 O\n0.629232 0.121064 0.990629 O\n0.623429 0.620958 0.487611 O\n0.622516 0.618996 0.989508 O\n0.139054 0.378675 0.014286 O\n0.130463 0.376163 0.504649 O\n0.136897 0.879985 0.012894 O\n0.134789 0.878968 0.510505 O\n0.640263 0.379970 0.014979 O\n0.636097 0.380603 0.508482 O\n0.634184 0.879134 0.013213 O\n0.635919 0.878240 0.511516 O\n0.371440 0.114542 0.486048 O\n0.370822 0.119001 0.991095 O\n0.373392 0.619164 0.486169 O\n0.372161 0.621196 0.988142 O\n0.871666 0.114870 0.485750 O\n0.873707 0.118838 0.987294 O\n0.872742 0.618397 0.486826 O\n0.872458 0.615908 0.986830 O\n0.385882 0.385490 0.014975 O\n0.382442 0.378701 0.504925 O\n0.384238 0.881311 0.013513 O\n0.385801 0.881505 0.511197 O\n0.885818 0.379597 0.013226 O\n0.880881 0.383299 0.508856 O\n0.886390 0.883572 0.013408 O\n0.885243 0.881278 0.512182 O\n0.081180 0.095106 0.134068 O\n0.076780 0.083460 0.630163 O\n0.081268 0.595140 0.131731 O\n0.073591 0.591007 0.632073 O\n0.579977 0.096121 0.133856 O\n0.580687 0.084928 0.629875 O\n0.578746 0.594966 0.133184 O\n0.577352 0.590018 0.632919 O\n0.446555 0.407650 0.366203 O\n0.449170 0.411984 0.869410 O\n0.446217 0.905292 0.367160 O\n0.446254 0.909757 0.866781 O\n0.943762 0.406716 0.365253 O\n0.953186 0.403386 0.868881 O\n0.944790 0.906247 0.367586 O\n0.947562 0.905878 0.866326 O\n0.329316 0.290551 0.135620 O\n0.322464 0.292785 0.632803 O\n0.328555 0.788473 0.131728 O\n0.325754 0.793575 0.630128 O\n0.829777 0.288927 0.132686 O\n0.821463 0.287294 0.630143 O\n0.830831 0.788368 0.135176 O\n0.827047 0.788805 0.631144 O\n0.194372 0.207655 0.364745 O\n0.191450 0.210893 0.865922 O\n0.197091 0.713398 0.369162 O\n0.197128 0.715701 0.869849 O\n0.696280 0.210724 0.367751 O\n0.695592 0.211979 0.867933 O\n0.697033 0.712414 0.369317 O\n0.697802 0.713761 0.866970 O\n0.425429 0.073263 0.250211 O\n0.425228 0.064514 0.741916 O\n0.425014 0.573475 0.250506 O\n0.436101 0.575497 0.757135 O\n0.926534 0.073755 0.249800 O\n0.922240 0.073032 0.749012 O\n0.924566 0.572233 0.250331 O\n0.925750 0.575827 0.749874 O\n0.176582 0.423205 0.250186 O\n0.184207 0.436699 0.757793 O\n0.173850 0.926835 0.249650 O\n0.175429 0.924429 0.750700 O\n0.674638 0.424719 0.250313 O\n0.683502 0.439076 0.758904 O\n0.677107 0.925839 0.250054 O\n0.677251 0.921359 0.750308 O\n",
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"elements": [
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"Mn",
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],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.015817269708174,
"density_atomic": 0.07714373247659494,
"volume": 1866.6454859918654,
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"formula_full": "Sr4 Ca28 Mn28 Fe4 O80",
"formula_reduced": "SrCa7Mn7FeO20",
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"energy": -1113.79136864,
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"spacegroup": 1
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{
"id": "mp-1096917",
"created_at": "2022-09-04T14:42:28.251789Z",
"structure_string": "Cr12 N24\n1.0\n5.362504 0.000000 0.000000\n0.000000 9.299043 0.000000\n0.000000 0.000000 11.404172\nCr N\n12 24\ndirect\n0.750000 0.500000 0.714620 Cr\n0.750000 0.000000 0.214620 Cr\n0.250000 0.500000 0.285380 Cr\n0.250000 0.000000 0.785380 Cr\n0.938816 0.704824 0.083731 Cr\n0.561184 0.295176 0.083731 Cr\n0.561184 0.204824 0.583731 Cr\n0.938816 0.795176 0.583731 Cr\n0.061184 0.204824 0.416269 Cr\n0.438816 0.795176 0.416269 Cr\n0.438816 0.704824 0.916269 Cr\n0.061184 0.295176 0.916269 Cr\n0.857762 0.327569 0.030818 N\n0.642238 0.672431 0.030818 N\n0.642238 0.827569 0.530818 N\n0.857762 0.172431 0.530818 N\n0.142238 0.827569 0.469182 N\n0.357762 0.172431 0.469182 N\n0.357762 0.327569 0.969182 N\n0.142238 0.672431 0.969182 N\n0.952495 0.095865 0.300796 N\n0.547505 0.904135 0.300796 N\n0.547505 0.595865 0.800796 N\n0.952495 0.404135 0.800796 N\n0.073092 0.380743 0.371275 N\n0.426908 0.619257 0.371275 N\n0.426908 0.880743 0.871275 N\n0.073092 0.119257 0.871275 N\n0.926908 0.880743 0.128725 N\n0.573092 0.119257 0.128725 N\n0.573092 0.380743 0.628725 N\n0.926908 0.619257 0.628725 N\n0.047505 0.595865 0.199204 N\n0.452495 0.404135 0.199204 N\n0.452495 0.095865 0.699204 N\n0.047505 0.904135 0.699204 N\n",
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{
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{
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"structure_string": "Mg8 Sn8 Bi8 O40\n1.0\n5.303135 0.000000 0.000000\n0.000000 10.370845 0.000000\n0.000000 0.000000 15.423936\nMg Sn Bi O\n8 8 8 40\ndirect\n0.534720 0.378800 0.564323 Mg\n0.034720 0.121200 0.564323 Mg\n0.034720 0.621200 0.935677 Mg\n0.965280 0.378800 0.064323 Mg\n0.465280 0.121200 0.064323 Mg\n0.965280 0.878800 0.435677 Mg\n0.465280 0.621200 0.435677 Mg\n0.534720 0.878800 0.935677 Mg\n0.046851 0.377074 0.434235 Sn\n0.453149 0.877074 0.565765 Sn\n0.953149 0.622926 0.565765 Sn\n0.546851 0.122926 0.434235 Sn\n0.953149 0.122926 0.934235 Sn\n0.046851 0.877074 0.065765 Sn\n0.453149 0.377074 0.934235 Sn\n0.546851 0.622926 0.065765 Sn\n0.988673 0.857309 0.757124 Bi\n0.011327 0.142691 0.242876 Bi\n0.511327 0.357309 0.242876 Bi\n0.011327 0.642691 0.257124 Bi\n0.488673 0.142691 0.742876 Bi\n0.488673 0.642691 0.757124 Bi\n0.511327 0.857309 0.257124 Bi\n0.988673 0.357309 0.742876 Bi\n0.857083 0.306990 0.321341 O\n0.241591 0.001947 0.974091 O\n0.258409 0.501947 0.025909 O\n0.316434 0.798152 0.833184 O\n0.183566 0.298152 0.166816 O\n0.857083 0.806990 0.178659 O\n0.183566 0.798152 0.333184 O\n0.642917 0.806990 0.678659 O\n0.241591 0.501947 0.525909 O\n0.142917 0.693010 0.678659 O\n0.642917 0.306990 0.821341 O\n0.814428 0.241460 0.491412 O\n0.741591 0.998053 0.525909 O\n0.683566 0.701848 0.333184 O\n0.255653 0.995905 0.153776 O\n0.741591 0.498053 0.974091 O\n0.142917 0.193010 0.821341 O\n0.816434 0.201848 0.666816 O\n0.314428 0.758540 0.008588 O\n0.258409 0.001947 0.474091 O\n0.185572 0.758540 0.508588 O\n0.744347 0.004095 0.846224 O\n0.683566 0.201848 0.166816 O\n0.755653 0.004095 0.346224 O\n0.185572 0.258540 0.991412 O\n0.314428 0.258540 0.491412 O\n0.758409 0.498053 0.474091 O\n0.758409 0.998053 0.025909 O\n0.755653 0.504095 0.153776 O\n0.685572 0.741460 0.508588 O\n0.685572 0.241460 0.991412 O\n0.814428 0.741460 0.008588 O\n0.744347 0.504095 0.653776 O\n0.816434 0.701848 0.833184 O\n0.316434 0.298152 0.666816 O\n0.255653 0.495905 0.346224 O\n0.244347 0.495905 0.846224 O\n0.357083 0.193010 0.321341 O\n0.244347 0.995905 0.653776 O\n0.357083 0.693010 0.178659 O\n",
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