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{
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{
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"formula_full": "Ca8 Mg26 Zn58",
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{
"id": "mp-1232217",
"created_at": "2022-09-04T14:46:22.477038Z",
"structure_string": "Yb8 Mg4 S16\n1.0\n3.952596 0.000000 0.000000\n0.000000 12.759144 0.000000\n0.000000 0.000000 13.571237\nYb Mg S\n8 4 16\ndirect\n0.250000 0.054640 0.114129 Yb\n0.750000 0.945360 0.885871 Yb\n0.750000 0.554640 0.385871 Yb\n0.250000 0.445360 0.614129 Yb\n0.250000 0.728484 0.123236 Yb\n0.750000 0.271516 0.876764 Yb\n0.750000 0.228484 0.376764 Yb\n0.250000 0.771516 0.623236 Yb\n0.750000 0.436560 0.089339 Mg\n0.250000 0.563440 0.910661 Mg\n0.250000 0.936560 0.410661 Mg\n0.750000 0.063440 0.589339 Mg\n0.750000 0.617922 0.025953 S\n0.250000 0.382078 0.974047 S\n0.250000 0.117922 0.474047 S\n0.750000 0.882078 0.525953 S\n0.250000 0.882252 0.999109 S\n0.750000 0.117748 0.000891 S\n0.750000 0.382252 0.500891 S\n0.250000 0.617748 0.499109 S\n0.250000 0.278562 0.237486 S\n0.750000 0.721438 0.762514 S\n0.750000 0.778562 0.262514 S\n0.250000 0.221438 0.737486 S\n0.750000 0.945602 0.273448 S\n0.250000 0.054398 0.726552 S\n0.250000 0.445602 0.226552 S\n0.750000 0.554398 0.773448 S\n",
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"volume": 684.421116732554,
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{
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{
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"created_at": "2022-09-04T14:46:22.492371Z",
"structure_string": "Tb4 Ga12 Fe1\n1.0\n-4.307710 4.307710 4.307710\n4.307710 -4.307710 4.307710\n4.307710 4.307710 -4.307710\nTb Ga Fe\n4 12 1\ndirect\n0.000000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n0.750000 0.250000 0.500000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.750000 Ga\n0.250000 0.500000 0.750000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.716810 0.716810 0.000000 Ga\n0.283190 0.000000 0.283190 Ga\n0.000000 0.283190 0.283190 Ga\n0.283190 0.283190 0.000000 Ga\n0.716810 0.000000 0.716810 Ga\n0.000000 0.716810 0.716810 Ga\n0.000000 0.000000 0.000000 Fe\n",
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{
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{
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"structure_string": "Li4 Nb2 Fe3 Cu3 O16\n1.0\n5.947184 -0.005598 0.014762\n-2.978450 5.167861 0.007170\n0.023821 0.027272 9.735508\nLi Nb Fe Cu O\n4 2 3 3 16\ndirect\n0.327303 0.664402 0.904840 Li\n0.012590 0.006876 0.991532 Li\n0.010129 0.005174 0.489919 Li\n0.655802 0.327583 0.400339 Li\n0.338253 0.668559 0.495791 Nb\n0.666466 0.334750 0.996252 Nb\n0.658414 0.829750 0.214980 Fe\n0.831176 0.658421 0.717999 Fe\n0.830659 0.172048 0.718368 Fe\n0.168942 0.828931 0.215578 Cu\n0.168936 0.340204 0.215481 Cu\n0.343387 0.172238 0.715418 Cu\n0.155567 0.819772 0.586420 O\n0.036457 0.517784 0.341290 O\n0.326220 0.663315 0.111795 O\n0.002594 0.001365 0.303174 O\n0.009473 0.003826 0.802586 O\n0.159514 0.333846 0.587924 O\n0.481140 0.961382 0.343389 O\n0.481092 0.519412 0.343240 O\n0.337013 0.168110 0.092631 O\n0.665294 0.832884 0.593162 O\n0.524319 0.488128 0.847469 O\n0.521194 0.037996 0.845817 O\n0.661315 0.330987 0.610510 O\n0.830840 0.667616 0.090321 O\n0.966101 0.482056 0.842031 O\n0.829813 0.162887 0.089587 O\n",
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{
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{
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"structure_string": "Ce2 B4 Ir4\n1.0\n0.000000 4.692221 5.333938\n3.020513 0.000000 5.333938\n3.020513 4.692221 0.000000\nCe B Ir\n2 4 4\ndirect\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Ce\n0.069705 0.430295 0.069705 B\n0.819705 0.180295 0.819705 B\n0.430295 0.069705 0.430295 B\n0.180295 0.819705 0.180295 B\n0.379668 0.379668 0.120332 Ir\n0.129668 0.129668 0.870332 Ir\n0.870332 0.870332 0.129668 Ir\n0.120332 0.120332 0.379668 Ir\n",
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{
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{
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"structure_string": "Si2 H16 C4 N2 Cl2 O2\n1.0\n5.925383 0.000000 0.000000\n-0.732844 6.690161 0.000000\n-1.796039 -1.921005 8.644551\nSi H C N Cl O\n2 16 4 2 2 2\ndirect\n0.940418 0.296716 0.679747 Si\n0.059582 0.703284 0.320253 Si\n0.489495 0.898872 0.746085 H\n0.843561 0.488483 0.719886 H\n0.754113 0.848897 0.859680 H\n0.827202 0.155858 0.529780 H\n0.512071 0.220989 0.933367 H\n0.245887 0.151103 0.140320 H\n0.217884 0.817125 0.951008 H\n0.487929 0.779011 0.066633 H\n0.236422 0.589483 0.027038 H\n0.782116 0.182875 0.048992 H\n0.270184 0.143592 0.340955 H\n0.156439 0.511517 0.280114 H\n0.729816 0.856408 0.659045 H\n0.510505 0.101128 0.253915 H\n0.763578 0.410517 0.972962 H\n0.172798 0.844142 0.470220 H\n0.319513 0.076840 0.233782 C\n0.680487 0.923160 0.766218 C\n0.702629 0.245609 0.950284 C\n0.297371 0.754391 0.049716 C\n0.240034 0.856122 0.192346 N\n0.759966 0.143878 0.807654 N\n0.270580 0.407106 0.643177 Cl\n0.729420 0.592894 0.356823 Cl\n0.020195 0.180589 0.828534 O\n0.979805 0.819411 0.171466 O\n",
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{
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"created_at": "2022-09-04T14:46:22.487972Z",
"structure_string": "Be4 Te14 Cl12\n1.0\n5.531187 0.000000 0.000000\n0.000000 10.331916 0.000000\n0.000000 0.000000 16.820929\nBe Te Cl\n4 14 12\ndirect\n0.000000 0.500000 0.419309 Be\n0.500000 0.000000 0.080691 Be\n0.000000 0.500000 0.580691 Be\n0.500000 0.000000 0.919309 Be\n0.500000 0.500000 0.760773 Te\n0.000000 0.000000 0.739227 Te\n0.500000 0.500000 0.239227 Te\n0.000000 0.000000 0.260773 Te\n0.328334 0.896142 0.628575 Te\n0.828334 0.603858 0.871425 Te\n0.171666 0.396142 0.871425 Te\n0.671666 0.103858 0.628575 Te\n0.671666 0.103858 0.371425 Te\n0.171666 0.396142 0.128575 Te\n0.828334 0.603858 0.128575 Te\n0.328334 0.896142 0.371425 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Te\n0.347447 0.861299 0.146732 Cl\n0.847447 0.638701 0.353268 Cl\n0.152553 0.361299 0.353268 Cl\n0.652553 0.138701 0.146732 Cl\n0.652553 0.138701 0.853268 Cl\n0.152553 0.361299 0.646732 Cl\n0.847447 0.638701 0.646732 Cl\n0.347447 0.861299 0.853268 Cl\n0.267115 0.085280 0.000000 Cl\n0.767115 0.414720 0.500000 Cl\n0.732885 0.914720 0.000000 Cl\n0.232885 0.585280 0.500000 Cl\n",
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}