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{
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{
"id": "mp-1233543",
"created_at": "2022-09-04T14:39:45.463171Z",
"structure_string": "Rb2 Mg1 Nb2 Te2 O12\n1.0\n-5.022848 0.390009 -5.563856\n5.386843 -5.474747 0.022864\n-5.740775 -5.840172 1.112449\nRb Mg Nb Te O\n2 1 2 2 12\ndirect\n0.903709 0.410781 0.218047 Rb\n0.258142 0.585286 0.665594 Rb\n0.227275 0.112563 0.264513 Mg\n0.498842 0.502175 0.014586 Nb\n0.478427 0.974827 0.013516 Nb\n0.862765 0.937754 0.620313 Te\n0.006865 0.013672 0.992635 Te\n0.940845 0.981742 0.237343 O\n0.556504 0.283109 0.004601 O\n0.228435 0.938623 0.945565 O\n0.327852 0.402270 0.258549 O\n0.228373 0.310334 0.942807 O\n0.327572 0.924718 0.256890 O\n0.078589 0.051339 0.731206 O\n0.391465 0.696979 0.004299 O\n0.783633 0.081029 0.012895 O\n0.677707 0.651217 0.717599 O\n0.786581 0.719777 0.019784 O\n0.677490 0.037876 0.708887 O\n",
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{
"id": "mp-1205241",
"created_at": "2022-09-04T14:39:25.944083Z",
"structure_string": "Ba28 In8 Cu4 N14\n1.0\n9.450047 0.000000 0.000000\n0.000000 8.186066 0.000000\n-4.616502 0.000000 21.437767\nBa In Cu N\n28 8 4 14\ndirect\n0.251891 0.250991 0.392945 Ba\n0.251891 0.749009 0.392945 Ba\n0.748109 0.749009 0.607055 Ba\n0.748109 0.250991 0.607055 Ba\n0.075396 0.252394 0.191035 Ba\n0.075396 0.747606 0.191035 Ba\n0.924604 0.747606 0.808965 Ba\n0.924604 0.252394 0.808965 Ba\n0.659103 0.266073 0.414521 Ba\n0.659103 0.733927 0.414521 Ba\n0.340897 0.733927 0.585479 Ba\n0.340897 0.266073 0.585479 Ba\n0.327948 0.500000 0.092919 Ba\n0.672052 0.500000 0.907081 Ba\n0.248276 0.500000 0.916214 Ba\n0.751724 0.500000 0.083786 Ba\n0.415462 0.000000 0.288882 Ba\n0.584538 0.000000 0.711118 Ba\n0.330986 0.000000 0.091030 Ba\n0.669014 0.000000 0.908970 Ba\n0.247079 0.000000 0.912403 Ba\n0.752921 0.000000 0.087597 Ba\n0.888931 0.000000 0.307066 Ba\n0.111069 0.000000 0.692934 Ba\n0.000000 0.252494 0.000000 Ba\n0.000000 0.747506 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.364346 0.299359 0.780675 In\n0.364346 0.700641 0.780675 In\n0.635654 0.700641 0.219325 In\n0.635654 0.299359 0.219325 In\n0.438397 0.500000 0.281618 In\n0.561603 0.500000 0.718382 In\n0.858279 0.500000 0.308064 In\n0.141721 0.500000 0.691936 In\n0.500000 0.243917 0.000000 Cu\n0.500000 0.756083 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.302577 0.242595 0.002912 N\n0.302577 0.757405 0.002912 N\n0.697423 0.757405 0.997088 N\n0.697423 0.242595 0.997088 N\n0.297337 0.500000 0.494300 N\n0.702663 0.500000 0.505700 N\n0.046405 0.500000 0.102291 N\n0.953595 0.500000 0.897709 N\n0.472361 0.000000 0.412723 N\n0.527639 0.000000 0.587277 N\n0.145220 0.000000 0.299305 N\n0.854780 0.000000 0.700695 N\n0.052545 0.000000 0.114359 N\n0.947455 0.000000 0.885641 N\n",
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"formula_full": "Ba28 In8 Cu4 N14",
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{
"id": "mp-1196359",
"created_at": "2022-09-04T14:39:26.469014Z",
"structure_string": "Sr2 B16 O30\n1.0\n8.336269 0.000000 0.000000\n0.000000 7.675129 0.000000\n0.000000 3.340729 9.473569\nSr B O\n2 16 30\ndirect\n0.598900 0.892782 0.272965 Sr\n0.098900 0.107218 0.727035 Sr\n0.104202 0.605314 0.473096 B\n0.604202 0.394686 0.526904 B\n0.942210 0.965251 0.025425 B\n0.442210 0.034749 0.974575 B\n0.990934 0.883264 0.281725 B\n0.490934 0.116736 0.718275 B\n0.932486 0.992275 0.482605 B\n0.432486 0.007725 0.517395 B\n0.692282 0.891411 0.647959 B\n0.192282 0.108589 0.352041 B\n0.692540 0.897907 0.909547 B\n0.192540 0.102093 0.090453 B\n0.097350 0.611293 0.725351 B\n0.597350 0.388707 0.274649 B\n0.698416 0.602492 0.858158 B\n0.198416 0.397508 0.141842 B\n0.621092 0.966713 0.759943 O\n0.121092 0.033287 0.240057 O\n0.579400 0.919652 0.531458 O\n0.079400 0.080348 0.468542 O\n0.844549 0.987891 0.599744 O\n0.344549 0.012109 0.400256 O\n0.590771 0.952859 0.005167 O\n0.090771 0.047141 0.994833 O\n0.069728 0.702277 0.337993 O\n0.569728 0.297723 0.662007 O\n0.581898 0.575585 0.223009 O\n0.081898 0.424415 0.776991 O\n0.890182 0.891619 0.160956 O\n0.390182 0.108381 0.839044 O\n0.113474 0.689444 0.577966 O\n0.613474 0.310556 0.422034 O\n0.640415 0.578139 0.472592 O\n0.140415 0.421861 0.527408 O\n0.880999 0.918721 0.383677 O\n0.380999 0.081279 0.616323 O\n0.720395 0.692899 0.716229 O\n0.220395 0.307101 0.283771 O\n0.701882 0.694891 0.954252 O\n0.201882 0.305109 0.045748 O\n0.174493 0.585130 0.095252 O\n0.674493 0.414870 0.904748 O\n0.096251 0.730529 0.798043 O\n0.596251 0.269471 0.201957 O\n0.854152 0.971651 0.907524 O\n0.354152 0.028349 0.092476 O\n",
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{
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"structure_string": "Mg30 Zn1 C1 O32\n1.0\n8.515784 0.000000 0.000000\n0.000000 8.515784 0.000000\n0.000000 0.000000 8.515785\nMg Zn C O\n30 1 1 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.251427 0.251427 Mg\n0.000000 0.251427 0.748573 Mg\n0.000000 0.748573 0.251427 Mg\n0.000000 0.748573 0.748573 Mg\n0.500000 0.249994 0.249994 Mg\n0.500000 0.249994 0.750006 Mg\n0.500000 0.750006 0.249994 Mg\n0.500000 0.750006 0.750006 Mg\n0.249831 0.000000 0.249900 Mg\n0.249831 0.000000 0.750100 Mg\n0.248403 0.500000 0.251513 Mg\n0.248403 0.500000 0.748487 Mg\n0.750169 0.000000 0.249900 Mg\n0.750169 0.000000 0.750100 Mg\n0.751597 0.500000 0.251513 Mg\n0.751597 0.500000 0.748487 Mg\n0.249831 0.249900 0.000000 Mg\n0.248403 0.251513 0.500000 Mg\n0.249831 0.750100 0.000000 Mg\n0.248403 0.748487 0.500000 Mg\n0.750169 0.249900 0.000000 Mg\n0.751597 0.251513 0.500000 Mg\n0.750169 0.750100 0.000000 Mg\n0.751597 0.748487 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 C\n0.253087 0.000000 0.000000 O\n0.249612 0.000000 0.500000 O\n0.249612 0.500000 0.000000 O\n0.251735 0.500000 0.500000 O\n0.746913 0.000000 0.000000 O\n0.750388 0.000000 0.500000 O\n0.750388 0.500000 0.000000 O\n0.748265 0.500000 0.500000 O\n0.249662 0.250031 0.250031 O\n0.249662 0.250031 0.749969 O\n0.249662 0.749969 0.250031 O\n0.249662 0.749969 0.749969 O\n0.750338 0.250031 0.250031 O\n0.750338 0.250031 0.749969 O\n0.750338 0.749969 0.250031 O\n0.750338 0.749969 0.749969 O\n0.000000 0.000000 0.253452 O\n0.000000 0.000000 0.746548 O\n0.000000 0.500000 0.248337 O\n0.000000 0.500000 0.751663 O\n0.500000 0.000000 0.250022 O\n0.500000 0.000000 0.749978 O\n0.500000 0.500000 0.250458 O\n0.500000 0.500000 0.749542 O\n0.000000 0.253452 0.000000 O\n0.000000 0.248337 0.500000 O\n0.000000 0.746548 0.000000 O\n0.000000 0.751663 0.500000 O\n0.500000 0.250022 0.000000 O\n0.500000 0.250458 0.500000 O\n0.500000 0.749978 0.000000 O\n0.500000 0.749542 0.500000 O\n",
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"formula_full": "Ba1 Ca1 Ce1 Hf1 O6",
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},
{
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"structure_string": "Li16 H16 Br8 N8\n1.0\n7.797160 0.000000 0.000000\n0.000000 7.937265 0.000000\n0.000000 0.000000 12.664591\nLi H Br N\n16 16 8 8\ndirect\n0.250000 0.186591 0.874353 Li\n0.250000 0.313409 0.374353 Li\n0.750000 0.813409 0.125647 Li\n0.750000 0.686591 0.625647 Li\n0.250000 0.659921 0.571584 Li\n0.250000 0.840079 0.071584 Li\n0.750000 0.340079 0.428416 Li\n0.750000 0.159921 0.928416 Li\n0.010871 0.191388 0.546070 Li\n0.489129 0.308612 0.046070 Li\n0.510871 0.808612 0.453930 Li\n0.989129 0.691388 0.953930 Li\n0.989129 0.808612 0.453930 Li\n0.510871 0.691388 0.953930 Li\n0.489129 0.191388 0.546070 Li\n0.010871 0.308612 0.046070 Li\n0.994583 0.370751 0.660022 H\n0.505417 0.129249 0.160022 H\n0.494583 0.629249 0.339978 H\n0.005417 0.870751 0.839978 H\n0.005417 0.629249 0.339978 H\n0.494583 0.870751 0.839978 H\n0.505417 0.370751 0.660022 H\n0.994583 0.129249 0.160022 H\n0.991032 0.227492 0.913371 H\n0.508968 0.272508 0.413371 H\n0.491032 0.772508 0.086629 H\n0.008968 0.727492 0.586629 H\n0.008968 0.772508 0.086629 H\n0.491032 0.727492 0.586629 H\n0.508968 0.227492 0.913371 H\n0.991032 0.272508 0.413371 H\n0.250000 0.860565 0.847789 Br\n0.250000 0.639435 0.347789 Br\n0.750000 0.139435 0.152211 Br\n0.750000 0.360565 0.652211 Br\n0.250000 0.363842 0.659806 Br\n0.250000 0.136158 0.159806 Br\n0.750000 0.636158 0.340194 Br\n0.750000 0.863842 0.840194 Br\n0.175886 0.996516 0.484806 N\n0.324114 0.503484 0.984806 N\n0.675886 0.003484 0.515194 N\n0.824114 0.496516 0.015194 N\n0.824114 0.003484 0.515194 N\n0.675886 0.496516 0.015194 N\n0.324114 0.996516 0.484806 N\n0.175886 0.503484 0.984806 N\n",
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],
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"formula_full": "Li16 H16 Br8 N8",
"formula_reduced": "Li2H2BrN",
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"updated_at": "2021-11-28T01:34:25.575000Z",
"spacegroup": 62
},
{
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"created_at": "2022-09-04T14:39:31.656252Z",
"structure_string": "Ca1 Fe2 Bi1 O6\n1.0\n-2.730050 2.730050 3.825214\n2.730050 -2.730050 3.825214\n2.730050 2.730050 -3.825214\nCa Fe Bi O\n1 2 1 6\ndirect\n0.987540 0.987540 0.000000 Ca\n0.250829 0.750829 0.500000 Fe\n0.750829 0.250829 0.500000 Fe\n0.457980 0.457980 0.000000 Bi\n0.509653 0.027825 0.000000 O\n0.027825 0.509653 0.000000 O\n0.027825 0.027825 0.518172 O\n0.509653 0.509653 0.481828 O\n0.007383 0.507383 0.500000 O\n0.507383 0.007383 0.500000 O\n",
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"elements": [
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],
"chemical_system": "Bi-Ca-Fe-O",
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"formula_full": "Ca1 Fe2 Bi1 O6",
"formula_reduced": "CaFe2BiO6",
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"updated_at": "2021-11-28T01:34:25.579000Z",
"spacegroup": 107
}
]
}