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{
"id": "mp-1187071",
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{
"id": "mp-1193068",
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"structure_string": "Sb8 C16 O4\n1.0\n4.183528 0.000000 0.000000\n0.000000 9.244737 0.000000\n0.000000 0.000000 15.096913\nSb C O\n8 16 4\ndirect\n0.612762 0.319964 0.573905 Sb\n0.887238 0.680036 0.073905 Sb\n0.112762 0.180036 0.426095 Sb\n0.387238 0.819964 0.926095 Sb\n0.309863 0.248405 0.843723 Sb\n0.190137 0.751595 0.343723 Sb\n0.809863 0.251595 0.156277 Sb\n0.690137 0.748405 0.656277 Sb\n0.355519 0.746517 0.541641 C\n0.144481 0.253483 0.041641 C\n0.855519 0.753483 0.458359 C\n0.644481 0.246517 0.958359 C\n0.025421 0.747834 0.541447 C\n0.474579 0.252166 0.041447 C\n0.525421 0.752166 0.458553 C\n0.974579 0.247834 0.958553 C\n0.628934 0.111362 0.627657 C\n0.871066 0.888638 0.127657 C\n0.128934 0.388638 0.372343 C\n0.371066 0.611362 0.872343 C\n0.665224 0.979483 0.636779 C\n0.834776 0.020517 0.136779 C\n0.165224 0.520517 0.363221 C\n0.334776 0.479483 0.863221 C\n0.605015 0.444122 0.672408 O\n0.894985 0.555878 0.172408 O\n0.105015 0.055878 0.327592 O\n0.394985 0.944122 0.827592 O\n",
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{
"id": "mp-1047058",
"created_at": "2022-09-04T14:39:47.357104Z",
"structure_string": "Ca4 Sb4 As4 O20\n1.0\n7.358961 0.000000 0.000000\n0.000000 7.856700 0.000000\n0.000000 0.000000 8.597663\nCa Sb As O\n4 4 4 20\ndirect\n0.008625 0.642333 0.606400 Ca\n0.491375 0.357667 0.106400 Ca\n0.991375 0.142333 0.893600 Ca\n0.508625 0.857667 0.393600 Ca\n0.210619 0.742314 0.955277 Sb\n0.289381 0.257686 0.455277 Sb\n0.789381 0.242314 0.544723 Sb\n0.710619 0.757686 0.044723 Sb\n0.457974 0.082693 0.797836 As\n0.042026 0.917307 0.297836 As\n0.542026 0.582693 0.702164 As\n0.957974 0.417307 0.202164 As\n0.437425 0.894210 0.904577 O\n0.062575 0.105790 0.404577 O\n0.562575 0.394210 0.595423 O\n0.937425 0.605790 0.095423 O\n0.329375 0.229017 0.895152 O\n0.170625 0.770983 0.395152 O\n0.670625 0.729017 0.604848 O\n0.829375 0.270983 0.104848 O\n0.686249 0.123973 0.793721 O\n0.813751 0.876027 0.293721 O\n0.313751 0.623973 0.706279 O\n0.186249 0.376027 0.206279 O\n0.374957 0.049128 0.611405 O\n0.125043 0.950872 0.111405 O\n0.625043 0.549128 0.888595 O\n0.874957 0.450872 0.388595 O\n0.037538 0.846459 0.814007 O\n0.462462 0.153541 0.314007 O\n0.962462 0.346459 0.685993 O\n0.537538 0.653541 0.185993 O\n",
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"formula_full": "Ca4 Sb4 As4 O20",
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{
"id": "mp-1100482",
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"structure_string": "Li9 Mn7 O16\n1.0\n2.881359 0.000000 0.000000\n0.000000 8.856991 0.000000\n0.000000 0.176691 11.708568\nLi Mn O\n9 7 16\ndirect\n0.500000 0.005872 0.742429 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.994128 0.257571 Li\n0.000000 0.768928 0.622057 Li\n0.000000 0.245923 0.875611 Li\n0.000000 0.754077 0.124389 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.231072 0.377943 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.233138 0.620619 Mn\n0.000000 0.766862 0.379381 Mn\n0.000000 0.749860 0.871083 Mn\n0.000000 0.250140 0.128917 Mn\n0.500000 0.491053 0.746899 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.508947 0.253101 Mn\n0.500000 0.243400 0.734814 O\n0.500000 0.741377 0.985788 O\n0.500000 0.246907 0.244274 O\n0.000000 0.027014 0.624066 O\n0.000000 0.491705 0.860846 O\n0.000000 0.994031 0.113524 O\n0.500000 0.748078 0.490611 O\n0.000000 0.522575 0.367627 O\n0.500000 0.753093 0.755726 O\n0.500000 0.258623 0.014212 O\n0.500000 0.756600 0.265186 O\n0.000000 0.477425 0.632373 O\n0.000000 0.005969 0.886476 O\n0.000000 0.508295 0.139154 O\n0.500000 0.251922 0.509389 O\n0.000000 0.972986 0.375934 O\n",
"nsites": 32,
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"elements": [
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"Mn",
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"density": 3.906905891517107,
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"volume": 298.8046543728185,
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"formula_full": "Li9 Mn7 O16",
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"formula_anonymous": "A7B9C16",
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"spacegroup": 10
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{
"id": "mp-775260",
"created_at": "2022-09-04T14:39:47.367686Z",
"structure_string": "Li6 Co1 Cu3 P4 O16\n1.0\n5.077745 -0.041211 0.005988\n0.007420 -0.001182 6.260200\n-0.254073 -10.449138 0.001649\nLi Co Cu P O\n6 1 3 4 16\ndirect\n0.103296 0.488968 0.114640 Li\n0.103082 0.011053 0.114826 Li\n0.380210 0.494005 0.632898 Li\n0.379719 0.005950 0.632441 Li\n0.642136 0.996499 0.358141 Li\n0.642040 0.503859 0.358272 Li\n0.921462 0.243027 0.723808 Co\n0.144421 0.750125 0.341138 Cu\n0.338285 0.751082 0.835776 Cu\n0.647408 0.250127 0.138878 Cu\n0.130589 0.250022 0.411408 P\n0.385419 0.251344 0.888395 P\n0.598303 0.750136 0.102606 P\n0.871777 0.749540 0.598627 P\n0.209634 0.250126 0.556227 O\n0.176060 0.750615 0.617504 O\n0.255104 0.051696 0.343521 O\n0.254808 0.448083 0.343535 O\n0.256892 0.059384 0.812519 O\n0.256968 0.445248 0.815438 O\n0.299135 0.750009 0.134436 O\n0.285368 0.248846 0.029456 O\n0.642380 0.750515 0.959599 O\n0.686522 0.250051 0.884751 O\n0.734683 0.550773 0.169507 O\n0.734414 0.948952 0.169555 O\n0.750894 0.956236 0.656815 O\n0.753824 0.542905 0.656266 O\n0.829573 0.250046 0.395008 O\n0.800859 0.750777 0.450548 O\n",
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"density": 3.3543888955034826,
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"volume_molar": 6.668901188605831,
"formula_full": "Li6 Co1 Cu3 P4 O16",
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{
"id": "mp-1216403",
"created_at": "2022-09-04T14:39:48.344948Z",
"structure_string": "V1 P3 Pb6 O16\n1.0\n5.939106 0.000000 0.000000\n-2.933217 7.019472 0.000000\n-0.057491 -2.000296 9.461780\nV P Pb O\n1 3 6 16\ndirect\n0.643966 0.794717 0.053082 V\n0.849537 0.200099 0.444207 P\n0.351080 0.200266 0.944921 P\n0.152406 0.800492 0.555564 P\n0.010324 0.371913 0.155254 Pb\n0.650129 0.641003 0.352899 Pb\n0.997257 0.641345 0.842656 Pb\n0.353871 0.357245 0.652560 Pb\n0.294838 0.002089 0.253718 Pb\n0.702689 0.001423 0.746862 Pb\n0.638282 0.708669 0.869627 O\n0.919624 0.277647 0.608213 O\n0.358300 0.279372 0.107677 O\n0.080525 0.722402 0.393140 O\n0.851436 0.729112 0.139047 O\n0.095311 0.261702 0.370274 O\n0.167110 0.262265 0.868012 O\n0.906491 0.738403 0.629442 O\n0.742263 0.043839 0.084282 O\n0.713578 0.975547 0.416426 O\n0.262092 0.974845 0.918143 O\n0.288155 0.024689 0.582955 O\n0.362846 0.702499 0.122357 O\n0.680795 0.289105 0.388029 O\n0.606124 0.287064 0.887055 O\n0.320970 0.712249 0.613599 O\n",
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{
"id": "mp-1187447",
"created_at": "2022-09-04T14:39:48.348295Z",
"structure_string": "Th1 Pa3\n1.0\n4.736582 0.000000 0.000000\n0.000000 4.736582 0.000000\n0.000000 0.000000 4.736582\nTh Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
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{
"id": "mp-757540",
"created_at": "2022-09-04T14:39:48.351272Z",
"structure_string": "Li12 Fe12 Si12 O48\n1.0\n12.148222 0.000000 0.000000\n0.000000 10.765646 0.000000\n0.000000 5.358275 9.442867\nLi Fe Si O\n12 12 12 48\ndirect\n0.663953 0.500000 0.500000 Li\n0.164526 0.500000 0.500000 Li\n0.000139 0.000000 0.000000 Li\n0.666365 0.000000 0.000000 Li\n0.333147 0.000000 0.000000 Li\n0.832597 0.000000 0.500000 Li\n0.337655 0.000000 0.500000 Li\n0.557433 0.500000 0.000000 Li\n0.983966 0.500000 0.000000 Li\n0.788202 0.500000 0.000000 Li\n0.352051 0.500000 0.000000 Li\n0.168327 0.500000 0.000000 Li\n0.165463 0.750465 0.247826 Fe\n0.834383 0.503210 0.255074 Fe\n0.165463 0.249535 0.752174 Fe\n0.499179 0.249311 0.501211 Fe\n0.834929 0.001179 0.750099 Fe\n0.164729 0.244291 0.250597 Fe\n0.500541 0.753831 0.997837 Fe\n0.164729 0.755709 0.749403 Fe\n0.834929 0.998821 0.249901 Fe\n0.499179 0.750689 0.498789 Fe\n0.834383 0.496790 0.744926 Fe\n0.500541 0.246169 0.002163 Fe\n0.664925 0.752926 0.249092 Si\n0.664925 0.247074 0.750908 Si\n0.330480 0.494543 0.244992 Si\n0.000887 0.252852 0.495904 Si\n0.670508 0.253220 0.253120 Si\n0.334080 0.001652 0.751647 Si\n0.997333 0.745190 0.000367 Si\n0.334080 0.998348 0.248353 Si\n0.670508 0.746780 0.746880 Si\n0.000887 0.747148 0.504096 Si\n0.330480 0.505457 0.755008 Si\n0.997333 0.254810 0.999633 Si\n0.062280 0.791869 0.103173 O\n0.596130 0.801691 0.101275 O\n0.744013 0.612308 0.302894 O\n0.246754 0.584592 0.290868 O\n0.909501 0.609293 0.074273 O\n0.416443 0.583320 0.106635 O\n0.585450 0.302879 0.612293 O\n0.928489 0.396081 0.398756 O\n0.398156 0.386608 0.384035 O\n0.086392 0.298265 0.586153 O\n0.263852 0.097472 0.804931 O\n0.743740 0.402243 0.190620 O\n0.255242 0.415793 0.172729 O\n0.735386 0.098211 0.804790 O\n0.915899 0.117337 0.585155 O\n0.599998 0.218500 0.391701 O\n0.075006 0.209262 0.397555 O\n0.412695 0.085058 0.612815 O\n0.588479 0.297316 0.114019 O\n0.937208 0.897241 0.895659 O\n0.081061 0.321518 0.074168 O\n0.401881 0.902487 0.900217 O\n0.754946 0.117824 0.298666 O\n0.255881 0.911972 0.699797 O\n0.255881 0.088028 0.300203 O\n0.754946 0.882176 0.701334 O\n0.401881 0.097513 0.099783 O\n0.081061 0.678482 0.925832 O\n0.937208 0.102759 0.104341 O\n0.588479 0.702684 0.885981 O\n0.412695 0.914942 0.387185 O\n0.075006 0.790738 0.602445 O\n0.599998 0.781500 0.608299 O\n0.915899 0.882663 0.414845 O\n0.735386 0.901789 0.195210 O\n0.255242 0.584207 0.827271 O\n0.743740 0.597757 0.809380 O\n0.263852 0.902528 0.195069 O\n0.086392 0.701735 0.413847 O\n0.398156 0.613392 0.615965 O\n0.928489 0.603919 0.601244 O\n0.585450 0.697121 0.387707 O\n0.416443 0.416680 0.893365 O\n0.909501 0.390707 0.925727 O\n0.246754 0.415408 0.709132 O\n0.744013 0.387692 0.697106 O\n0.596130 0.198309 0.898725 O\n0.062280 0.208131 0.896827 O\n",
"nsites": 84,
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"elements": [
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"formula_full": "Li12 Fe12 Si12 O48",
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{
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"structure_string": "Yb1 Al1 B4\n1.0\n3.137330 0.000000 0.000000\n0.000000 3.599322 0.000000\n0.000000 0.000000 5.386142\nYb Al B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.182567 B\n0.500000 0.500000 0.817433 B\n0.000000 0.500000 0.341374 B\n0.000000 0.500000 0.658626 B\n",
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