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{
"id": "jvasp-9703",
"created_at": "2022-09-04T14:37:10.366980Z",
"updated_at": "2022-09-04T14:37:10.367007Z",
"structure_string": "Zn2 Rh4 O8\n1.0\n5.261725 0.000000 3.037858\n1.753908 4.960802 3.037858\n0.000000 0.000000 6.075716\nZn Rh O\n2 4 8\ndirect\n0.875001 0.875000 0.875001 Zn\n0.125000 0.125000 0.125000 Zn\n0.500001 0.500000 0.000000 Rh\n0.500001 0.500000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 -0.000000 0.500000 Rh\n0.739492 0.739491 0.739492 O\n0.260509 0.260509 0.718476 O\n0.260509 0.718475 0.260509 O\n0.718476 0.260509 0.260509 O\n0.739492 0.281525 0.739492 O\n0.281526 0.739491 0.739492 O\n0.260509 0.260509 0.260509 O\n0.739492 0.739491 0.281525 O\n",
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"structure_string": "Pr4 Br10\n1.0\n0.000000 7.799940 -0.314329\n4.189085 0.000000 0.000000\n0.000000 -0.202861 -13.396699\nPr Br\n4 10\ndirect\n0.072620 0.750001 0.160759 Pr\n0.927380 0.250000 0.839241 Pr\n0.573272 0.750001 0.658588 Pr\n0.426728 0.250000 0.341412 Pr\n0.672988 0.750001 0.270207 Br\n0.327012 0.250000 0.729793 Br\n0.153862 0.750001 0.931465 Br\n0.846138 0.250000 0.068535 Br\n0.694912 0.250000 0.509771 Br\n0.305088 0.750001 0.490229 Br\n0.044779 0.250000 0.323815 Br\n0.955222 0.750001 0.676185 Br\n0.351052 0.250000 0.120378 Br\n0.648948 0.750001 0.879622 Br\n",
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{
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"updated_at": "2022-09-04T14:37:16.791230Z",
"structure_string": "Ba1 Mg1 Cr4 O8\n1.0\n2.671049 -4.626393 -0.000000\n2.671049 4.626393 -0.000000\n0.000000 0.000000 7.183314\nBa Mg Cr O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.740083 Cr\n0.666667 0.333333 0.740083 Cr\n0.333333 0.666667 0.259917 Cr\n0.666667 0.333333 0.259917 Cr\n0.684278 0.000000 0.676965 O\n0.000000 0.684278 0.676965 O\n0.315721 0.315721 0.676965 O\n0.315721 0.000000 0.323034 O\n0.684279 0.684279 0.323034 O\n0.000000 0.315721 0.323034 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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"density_atomic": 0.07885855444410712,
"volume": 177.5330539430929,
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"formula_full": "Ba1 Mg1 Cr4 O8",
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{
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"created_at": "2022-09-04T14:37:28.482411Z",
"updated_at": "2022-09-04T14:37:28.482433Z",
"structure_string": "Li2 Nb1 Cr3 O8\n1.0\n5.956602 0.005907 0.004177\n2.983416 5.155616 0.004177\n2.983416 1.722476 4.859369\nLi Nb Cr O\n2 1 3 8\ndirect\n0.126765 0.126766 0.126766 Li\n0.873234 0.873236 0.873236 Li\n0.500000 0.500001 0.500001 Nb\n0.000000 0.500001 0.500000 Cr\n0.500000 0.000001 0.500000 Cr\n0.500000 0.500000 0.000001 Cr\n0.264928 0.264928 0.264928 O\n0.259251 0.259251 0.719503 O\n0.259250 0.719503 0.259251 O\n0.719502 0.259251 0.259251 O\n0.280497 0.740750 0.740750 O\n0.740749 0.280498 0.740750 O\n0.740749 0.740750 0.280499 O\n0.735071 0.735073 0.735073 O\n",
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"formula_full": "Li2 Nb1 Cr3 O8",
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{
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"created_at": "2022-09-04T14:37:28.486596Z",
"updated_at": "2022-09-04T14:37:28.486615Z",
"structure_string": "Ba1 Zn1 Ni4 O8\n1.0\n2.616995 -4.532769 0.000000\n2.616995 4.532769 0.000000\n-0.000000 0.000000 7.107449\nBa Zn Ni O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333332 0.666666 0.741522 Ni\n0.666666 0.333332 0.741522 Ni\n0.333332 0.666666 0.258478 Ni\n0.666666 0.333332 0.258478 Ni\n0.319842 0.319842 0.680023 O\n0.680157 -0.000001 0.680023 O\n-0.000001 0.680157 0.680023 O\n0.680156 0.680156 0.319977 O\n-0.000000 0.319843 0.319977 O\n0.319843 -0.000000 0.319977 O\n0.333332 0.666666 0.000000 O\n0.666666 0.333332 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:15.620717Z",
"updated_at": "2022-09-04T14:37:15.620739Z",
"structure_string": "K6 Si2 Te6\n1.0\n8.042167 0.007927 -2.192684\n-3.470627 7.254741 -2.192684\n0.011874 0.018864 8.850473\nK Si Te\n6 2 6\ndirect\n0.793136 0.793136 0.325027 K\n0.500000 0.000000 0.000000 K\n0.656249 0.343751 0.500000 K\n0.343751 0.656248 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.206863 0.206863 0.674974 K\n0.891457 0.891457 0.859846 Si\n0.108542 0.108542 0.140155 Si\n0.366466 0.366466 0.121575 Te\n0.633533 0.633533 0.878426 Te\n0.945493 0.251606 0.300140 Te\n0.748394 0.054507 0.699861 Te\n0.054506 0.748394 0.699860 Te\n0.251605 0.945493 0.300140 Te\n",
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{
"id": "jvasp-9650",
"created_at": "2022-09-04T14:37:28.477941Z",
"updated_at": "2022-09-04T14:37:28.477975Z",
"structure_string": "Ta4 O10\n1.0\n0.000000 3.899677 -0.000173\n3.862664 0.000000 0.000000\n0.000000 -0.000624 -13.128144\nTa O\n4 10\ndirect\n0.021081 0.250000 0.604200 Ta\n0.978921 0.749999 0.395799 Ta\n0.978919 0.749999 0.104199 Ta\n0.021083 0.250000 0.895800 Ta\n0.001979 0.749999 0.564767 O\n0.998023 0.250000 0.435233 O\n0.998022 0.250000 0.064767 O\n0.001980 0.749999 0.935233 O\n0.507312 0.250000 0.899268 O\n0.492690 0.749999 0.100731 O\n0.492691 0.749999 0.399268 O\n0.995231 0.749999 0.250000 O\n0.004770 0.250000 0.749999 O\n0.507310 0.250000 0.600732 O\n",
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{
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"created_at": "2022-09-04T14:37:33.678092Z",
"updated_at": "2022-09-04T14:37:33.678113Z",
"structure_string": "Yb4 Mg2 S8\n1.0\n6.826523 -0.000000 3.941294\n2.275508 6.436107 3.941294\n0.000000 0.000000 7.882590\nYb Mg S\n4 2 8\ndirect\n0.500000 0.500000 0.499999 Yb\n0.500000 -0.000000 0.500000 Yb\n0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 -0.000001 Yb\n0.875000 0.875000 0.874999 Mg\n0.125000 0.125000 0.125000 Mg\n0.252081 0.252081 0.743755 S\n0.747918 0.747919 0.747918 S\n0.747918 0.747919 0.256244 S\n0.252081 0.743755 0.252081 S\n0.252081 0.252081 0.252081 S\n0.256245 0.747919 0.747918 S\n0.747918 0.256245 0.747918 S\n0.743755 0.252081 0.252081 S\n",
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{
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"created_at": "2022-09-04T14:37:28.403260Z",
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"structure_string": "Ba2 Y1 Sn3 O8\n1.0\n4.292339 -0.000000 0.000000\n-0.000000 4.292339 0.000000\n-0.000000 -0.000000 11.641479\nBa Y Sn O\n2 1 3 8\ndirect\n0.500000 0.500000 0.170483 Ba\n0.500000 0.500000 0.829517 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.366308 Sn\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.633692 Sn\n0.000000 0.500000 0.374465 O\n0.500000 0.000000 0.374465 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.186347 O\n0.000000 0.500000 0.625535 O\n0.500000 0.000000 0.625535 O\n0.000000 0.000000 0.813654 O\n0.000000 0.500000 0.000000 O\n",
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"structure_string": "Ca2 Cl4 O8\n1.0\n5.716736 0.000000 0.000000\n0.000000 5.227942 -2.382991\n0.000000 -0.059494 6.795654\nCa Cl O\n2 4 8\ndirect\n0.750001 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.250000 0.076888 0.153777 Cl\n0.750001 0.576888 0.153777 Cl\n0.250000 0.423113 0.846223 Cl\n0.750001 0.923112 0.846223 Cl\n0.409681 0.988069 0.300178 O\n0.409681 0.511932 0.699821 O\n0.590320 0.011932 0.699821 O\n0.090320 0.187891 0.699821 O\n0.909681 0.687891 0.699821 O\n0.909681 0.812110 0.300178 O\n0.590320 0.488069 0.300178 O\n0.090320 0.312110 0.300178 O\n",
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"created_at": "2022-09-04T14:37:28.700919Z",
"updated_at": "2022-09-04T14:37:28.700936Z",
"structure_string": "Zn2 Cu4 O8\n1.0\n5.917433 0.007864 0.014413\n2.965527 5.120714 0.014413\n2.972754 1.716320 4.854487\nZn Cu O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Zn\n0.625000 0.124999 0.625000 Zn\n0.992289 0.992287 0.007711 Cu\n0.257712 0.257712 0.242288 Cu\n0.625001 0.624999 0.124999 Cu\n0.625000 0.624999 0.625000 Cu\n0.394944 0.394943 0.367137 O\n0.393452 0.859575 0.373486 O\n0.394944 0.394943 0.842976 O\n0.859576 0.393450 0.373486 O\n0.390425 0.856548 0.876513 O\n0.856549 0.390424 0.876513 O\n0.855057 0.855055 0.407023 O\n0.855057 0.855055 0.882862 O\n",
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{
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"created_at": "2022-09-04T14:37:28.462524Z",
"updated_at": "2022-09-04T14:37:28.462546Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n6.477276 -0.414062 0.075647\n2.880049 5.816515 0.075647\n3.180873 1.836478 5.194345\nZn Sn O\n2 4 8\ndirect\n0.125000 0.625001 0.625000 Zn\n0.625000 0.125001 0.625000 Zn\n0.020505 0.020506 0.979493 Sn\n0.229494 0.229495 0.270506 Sn\n0.625000 0.625001 0.125001 Sn\n0.625000 0.625001 0.625000 Sn\n0.387331 0.387331 0.377552 O\n0.414296 0.801878 0.391913 O\n0.387330 0.387332 0.847787 O\n0.801877 0.414297 0.391913 O\n0.448122 0.835704 0.858088 O\n0.835703 0.448123 0.858088 O\n0.862669 0.862670 0.402213 O\n0.862669 0.862670 0.872448 O\n",
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]
}