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{
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"created_at": "2022-09-04T14:46:23.326811Z",
"structure_string": "Dy4 Re12 O64\n1.0\n8.615844 0.000000 0.000000\n0.000000 11.441009 0.000000\n0.000000 0.000000 14.678411\nDy Re O\n4 12 64\ndirect\n0.768362 0.243442 0.672318 Dy\n0.231638 0.743442 0.327682 Dy\n0.268362 0.743442 0.827682 Dy\n0.731638 0.243442 0.172318 Dy\n0.097392 0.998895 0.670511 Re\n0.902608 0.498895 0.329489 Re\n0.597392 0.498895 0.829489 Re\n0.402608 0.998895 0.170511 Re\n0.100811 0.411616 0.817076 Re\n0.899189 0.911616 0.182924 Re\n0.600811 0.911616 0.682924 Re\n0.399189 0.411616 0.317076 Re\n0.812136 0.101986 0.917695 Re\n0.187864 0.601986 0.082305 Re\n0.312136 0.601986 0.582305 Re\n0.687864 0.101986 0.417695 Re\n0.027562 0.929178 0.574313 O\n0.972438 0.429178 0.425687 O\n0.527562 0.429178 0.925687 O\n0.472438 0.929178 0.074313 O\n0.962916 0.109962 0.702599 O\n0.037084 0.609962 0.297401 O\n0.462916 0.609962 0.797401 O\n0.537084 0.109962 0.202599 O\n0.771539 0.565469 0.855913 O\n0.228461 0.065469 0.144087 O\n0.271539 0.065469 0.644087 O\n0.728461 0.565469 0.355913 O\n0.128096 0.896587 0.760356 O\n0.871904 0.396587 0.239644 O\n0.628096 0.396587 0.739644 O\n0.371904 0.896587 0.260356 O\n0.033532 0.381069 0.925476 O\n0.966468 0.881069 0.074524 O\n0.533532 0.881069 0.574524 O\n0.466468 0.381069 0.425476 O\n0.771900 0.833685 0.698800 O\n0.228100 0.333685 0.301200 O\n0.271900 0.333685 0.801200 O\n0.728100 0.833685 0.198800 O\n0.957512 0.367264 0.736673 O\n0.042488 0.867263 0.263327 O\n0.457512 0.867263 0.763327 O\n0.542488 0.367264 0.236673 O\n0.141138 0.563764 0.809742 O\n0.858862 0.063764 0.190258 O\n0.641138 0.063764 0.690258 O\n0.358862 0.563764 0.309742 O\n0.746049 0.156227 0.526820 O\n0.253951 0.656227 0.473180 O\n0.246049 0.656227 0.973180 O\n0.753951 0.156227 0.026820 O\n0.257047 0.702859 0.667888 O\n0.742953 0.202859 0.332112 O\n0.757047 0.202859 0.832112 O\n0.242953 0.702859 0.167888 O\n0.219778 0.470671 0.606586 O\n0.780222 0.970671 0.393414 O\n0.719778 0.970671 0.893414 O\n0.280222 0.470671 0.106586 O\n0.011141 0.080622 0.913872 O\n0.988859 0.580622 0.086128 O\n0.511141 0.580622 0.586128 O\n0.488859 0.080622 0.413872 O\n0.758236 0.415748 0.577801 O\n0.241764 0.915748 0.422199 O\n0.258236 0.915748 0.922199 O\n0.741764 0.415748 0.077801 O\n0.910637 0.656546 0.587328 O\n0.089363 0.156546 0.412672 O\n0.410637 0.156546 0.912672 O\n0.589363 0.656546 0.087328 O\n0.001846 0.761819 0.879430 O\n0.998154 0.261819 0.120570 O\n0.501846 0.261819 0.620570 O\n0.498154 0.761819 0.379430 O\n0.013318 0.270593 0.576865 O\n0.986682 0.770593 0.423135 O\n0.513318 0.770593 0.923135 O\n0.486682 0.270593 0.076865 O\n",
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"formula_full": "Dy4 Re12 O64",
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"updated_at": "2021-11-28T01:37:34.750000Z",
"spacegroup": 33
},
{
"id": "mp-1211202",
"created_at": "2022-09-04T14:46:25.256545Z",
"structure_string": "Li2 Cr4 Mo6 O24\n1.0\n6.836782 0.000000 0.000000\n1.476882 6.876044 0.000000\n0.893703 2.408811 11.518776\nLi Cr Mo O\n2 4 6 24\ndirect\n0.321589 0.562867 0.413037 Li\n0.678411 0.437133 0.586963 Li\n0.302445 0.164952 0.022484 Cr\n0.697555 0.835048 0.977516 Cr\n0.695166 0.230108 0.372314 Cr\n0.304834 0.769892 0.627686 Cr\n0.746099 0.300932 0.052932 Mo\n0.253901 0.699068 0.947068 Mo\n0.254495 0.092385 0.352497 Mo\n0.745505 0.907615 0.647503 Mo\n0.203221 0.287116 0.686716 Mo\n0.796779 0.712884 0.313284 Mo\n0.993105 0.200345 0.359293 O\n0.006895 0.799655 0.640707 O\n0.056446 0.639469 0.331767 O\n0.943554 0.360531 0.668233 O\n0.393884 0.269255 0.385702 O\n0.606116 0.730745 0.614298 O\n0.674938 0.319301 0.200608 O\n0.325062 0.680699 0.799392 O\n0.291926 0.458634 0.039536 O\n0.708074 0.541366 0.960464 O\n0.320118 0.051558 0.211573 O\n0.679882 0.948442 0.788427 O\n0.002983 0.189287 0.045580 O\n0.997017 0.810713 0.954420 O\n0.247416 0.247233 0.835822 O\n0.752584 0.752767 0.164178 O\n0.336829 0.485231 0.604501 O\n0.663171 0.514769 0.395499 O\n0.702026 0.150070 0.548564 O\n0.297974 0.849930 0.451436 O\n0.607664 0.141590 0.999389 O\n0.392336 0.858410 0.000611 O\n0.290467 0.053710 0.638569 O\n0.709533 0.946290 0.361431 O\n",
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"elements": [
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"formula_full": "Li2 Cr4 Mo6 O24",
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"spacegroup": 2
},
{
"id": "mp-1519020",
"created_at": "2022-09-04T14:46:23.327779Z",
"structure_string": "Sr1 Ca1 Nd1 Sb1 O6\n1.0\n-0.000000 -4.159926 -4.159926\n4.159926 0.000000 -4.159926\n4.159926 -4.159926 -0.000000\nSr Ca Nd Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Sb\n0.737371 0.262629 0.262629 O\n0.262629 0.737371 0.737371 O\n0.737371 0.262629 0.737371 O\n0.262629 0.737371 0.262629 O\n0.737371 0.737371 0.262629 O\n0.262629 0.262629 0.737371 O\n",
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"volume": 143.9749084502801,
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"formula_full": "Sr1 Ca1 Nd1 Sb1 O6",
"formula_reduced": "SrCaNdSbO6",
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{
"id": "mp-1223097",
"created_at": "2022-09-04T14:46:19.294732Z",
"structure_string": "Li16 H8 N8\n1.0\n-3.552708 3.560033 5.089536\n3.552708 -3.560033 5.089536\n3.552708 3.560033 -5.089536\nLi H N\n16 8 8\ndirect\n0.855972 0.114427 0.758455 Li\n0.144028 0.902483 0.258455 Li\n0.629749 0.885247 0.755498 Li\n0.132167 0.384610 0.752443 Li\n0.121378 0.354616 0.244394 Li\n0.604941 0.884275 0.260421 Li\n0.123854 0.884275 0.779334 Li\n0.610223 0.354616 0.733238 Li\n0.370251 0.125749 0.255498 Li\n0.867833 0.620276 0.252443 Li\n0.876146 0.655480 0.760421 Li\n0.389777 0.123016 0.744394 Li\n0.878622 0.123016 0.233238 Li\n0.395059 0.655480 0.279334 Li\n0.993984 0.003006 0.509022 Li\n0.006016 0.515037 0.009022 Li\n0.698823 0.313611 0.114788 H\n0.704031 0.598596 0.394565 H\n0.386164 0.300628 0.086566 H\n0.714062 0.300628 0.414464 H\n0.295969 0.690534 0.894565 H\n0.301177 0.415964 0.614788 H\n0.613836 0.700402 0.914464 H\n0.285938 0.700402 0.586566 H\n0.757022 0.252367 0.995345 N\n0.761065 0.776283 0.515219 N\n0.208472 0.241978 0.970541 N\n0.771437 0.241978 0.533507 N\n0.238935 0.754154 0.015219 N\n0.242978 0.238324 0.495345 N\n0.791529 0.762070 0.033507 N\n0.228563 0.762070 0.470541 N\n",
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"elements": [
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"formula_full": "Li16 H8 N8",
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{
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"created_at": "2022-09-04T14:46:24.718741Z",
"structure_string": "Fe4 P8 Pb4 O28\n1.0\n8.447614 0.000000 0.000000\n0.000000 5.462596 0.000000\n0.000000 5.300084 13.018813\nFe P Pb O\n4 8 4 28\ndirect\n0.349917 0.925537 0.894267 Fe\n0.849917 0.074463 0.605733 Fe\n0.650083 0.074463 0.105733 Fe\n0.150083 0.925537 0.394267 Fe\n0.539267 0.914577 0.335966 P\n0.300285 0.296245 0.018276 P\n0.199715 0.296245 0.518276 P\n0.460733 0.085423 0.664034 P\n0.960733 0.914577 0.835966 P\n0.699715 0.703755 0.981724 P\n0.039267 0.085423 0.164034 P\n0.800285 0.703755 0.481724 P\n0.675312 0.434048 0.778369 Pb\n0.824688 0.434048 0.278369 Pb\n0.324688 0.565952 0.221631 Pb\n0.175312 0.565952 0.721631 Pb\n0.563355 0.214411 0.298259 O\n0.595825 0.921102 0.904254 O\n0.121226 0.205920 0.234490 O\n0.095825 0.078898 0.595746 O\n0.864891 0.166377 0.151047 O\n0.063355 0.785589 0.201741 O\n0.635109 0.166377 0.651047 O\n0.621226 0.794080 0.265510 O\n0.904175 0.921102 0.404254 O\n0.364891 0.833623 0.348953 O\n0.117157 0.215705 0.050998 O\n0.671413 0.432991 0.975146 O\n0.188458 0.294535 0.409432 O\n0.617157 0.784295 0.449002 O\n0.436645 0.785589 0.701741 O\n0.878774 0.794080 0.765510 O\n0.811542 0.705465 0.590568 O\n0.378774 0.205920 0.734490 O\n0.828587 0.432991 0.475146 O\n0.171413 0.567009 0.524854 O\n0.936645 0.214411 0.798259 O\n0.882843 0.784295 0.949002 O\n0.404175 0.078898 0.095746 O\n0.328587 0.567009 0.024854 O\n0.688458 0.705465 0.090568 O\n0.311542 0.294535 0.909432 O\n0.382843 0.215705 0.550998 O\n0.135109 0.833623 0.848953 O\n",
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{
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"structure_string": "Ni2 P4 N4 O24 F4\n1.0\n12.825751 0.000000 0.000000\n0.000000 5.996192 0.000000\n0.000000 0.399054 9.910654\nNi P N O F\n2 4 4 24 4\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.594702 0.783509 0.103381 P\n0.094702 0.216491 0.396619 P\n0.405298 0.216491 0.896619 P\n0.905298 0.783509 0.603381 P\n0.778382 0.325474 0.899828 N\n0.278382 0.674526 0.600172 N\n0.221618 0.674526 0.100172 N\n0.721618 0.325474 0.399828 N\n0.541737 0.609784 0.185629 O\n0.041737 0.390216 0.314371 O\n0.458263 0.390216 0.814371 O\n0.958263 0.609784 0.685629 O\n0.672994 0.953332 0.128636 O\n0.172994 0.046668 0.371364 O\n0.327006 0.046668 0.871364 O\n0.827006 0.953332 0.628636 O\n0.760553 0.418291 0.004317 O\n0.260553 0.581709 0.495683 O\n0.239447 0.581709 0.995683 O\n0.739447 0.418291 0.504317 O\n0.590139 0.783219 0.568517 O\n0.090139 0.216781 0.931483 O\n0.409861 0.216781 0.431483 O\n0.909861 0.783219 0.068517 O\n0.586170 0.955465 0.648910 O\n0.086170 0.044535 0.851090 O\n0.413830 0.044535 0.351090 O\n0.913830 0.955465 0.148910 O\n0.346933 0.805637 0.628513 O\n0.846933 0.194363 0.871487 O\n0.653067 0.194363 0.371487 O\n0.153067 0.805637 0.128513 O\n0.551897 0.799775 0.955046 F\n0.051897 0.200225 0.544954 F\n0.448103 0.200225 0.044954 F\n0.948103 0.799775 0.455046 F\n",
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"formula_full": "Ni2 P4 N4 O24 F4",
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{
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"structure_string": "Rb4 Sb12 Se20\n1.0\n13.400758 0.000000 0.000000\n0.000000 8.887710 0.000000\n0.000000 7.658113 9.784580\nRb Sb Se\n4 12 20\ndirect\n0.751667 0.322634 0.302383 Rb\n0.251667 0.677366 0.197617 Rb\n0.248333 0.677366 0.697617 Rb\n0.748333 0.322634 0.802383 Rb\n0.041077 0.186174 0.821730 Sb\n0.541077 0.813826 0.678270 Sb\n0.958923 0.813826 0.178270 Sb\n0.458923 0.186174 0.321730 Sb\n0.059823 0.141219 0.540070 Sb\n0.559823 0.858781 0.959930 Sb\n0.940177 0.858781 0.459930 Sb\n0.440177 0.141219 0.040070 Sb\n0.597747 0.753683 0.369579 Sb\n0.097747 0.246317 0.130421 Sb\n0.402253 0.246317 0.630421 Sb\n0.902253 0.753683 0.869579 Sb\n0.811053 0.821725 0.035655 Se\n0.311053 0.178275 0.464345 Se\n0.188947 0.178275 0.964345 Se\n0.688947 0.821725 0.535655 Se\n0.085789 0.824783 0.901418 Se\n0.585789 0.175217 0.598582 Se\n0.914211 0.175217 0.098582 Se\n0.414211 0.824783 0.401418 Se\n0.878445 0.109989 0.644154 Se\n0.378445 0.890011 0.855846 Se\n0.121555 0.890011 0.355846 Se\n0.621555 0.109989 0.144154 Se\n0.144669 0.357071 0.594947 Se\n0.644669 0.642929 0.905053 Se\n0.855331 0.642929 0.405053 Se\n0.355331 0.357071 0.094947 Se\n0.481798 0.401682 0.786074 Se\n0.981798 0.598318 0.713926 Se\n0.518202 0.598318 0.213926 Se\n0.018202 0.401682 0.286074 Se\n",
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