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{
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{
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{
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"formula_full": "As4 Ru4 S4",
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{
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"created_at": "2022-09-04T14:48:30.760043Z",
"structure_string": "K1 Na3 H4\n1.0\n5.118641 0.000000 0.000000\n0.000000 5.118641 0.000000\n0.000000 0.000000 5.118641\nK Na H\n1 3 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
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{
"id": "mp-7748",
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"structure_string": "Na1 Al1 O2\n1.0\n5.427771 -1.449922 0.000000\n5.427771 1.449922 0.000000\n5.040453 0.000000 2.481291\nNa Al O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Al\n0.770492 0.770492 0.770492 O\n0.229508 0.229508 0.229508 O\n",
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{
"id": "mp-1086677",
"created_at": "2022-09-04T14:48:31.357097Z",
"structure_string": "Na2 Sn1 O6\n1.0\n4.222196 -3.235848 0.000000\n4.222196 3.235848 0.000000\n1.742275 0.000000 5.026145\nNa Sn O\n2 1 6\ndirect\n0.678338 0.678338 0.678338 Na\n0.321662 0.321662 0.321662 Na\n0.000000 0.000000 0.000000 Sn\n0.219966 0.912123 0.642081 O\n0.912123 0.642081 0.219966 O\n0.642081 0.219966 0.912123 O\n0.780034 0.087877 0.357919 O\n0.087877 0.357919 0.780034 O\n0.357919 0.780034 0.087877 O\n",
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{
"id": "mp-1047307",
"created_at": "2022-09-04T14:48:31.547465Z",
"structure_string": "Zn2 Sn4 O8\n1.0\n3.318315 5.676420 0.000000\n-3.318315 5.676420 0.000000\n0.000000 3.635754 5.442302\nZn Sn O\n2 4 8\ndirect\n0.892790 0.892790 0.339021 Zn\n0.107210 0.107210 0.660979 Zn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.732939 0.214389 0.791782 O\n0.214389 0.732939 0.791782 O\n0.238808 0.238808 0.787090 O\n0.748271 0.748271 0.776151 O\n0.761192 0.761192 0.212910 O\n0.785611 0.267061 0.208218 O\n0.251729 0.251729 0.223849 O\n0.267061 0.785611 0.208218 O\n",
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"spacegroup": 12
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{
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"created_at": "2022-09-04T14:48:30.988195Z",
"structure_string": "V1 Se2\n1.0\n1.676903 -2.904481 0.000000\n1.676903 2.904481 0.000000\n0.000000 0.000000 7.000427\nV Se\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.774935 Se\n0.333333 0.666667 0.225065 Se\n",
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{
"id": "mp-561465",
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"structure_string": "Tl4 Sb4 O12\n1.0\n2.701521 -4.679171 0.000000\n2.701521 4.679171 0.000000\n0.000000 0.000000 16.243782\nTl Sb O\n4 4 12\ndirect\n0.666667 0.333333 0.945347 Tl\n0.666667 0.333333 0.554653 Tl\n0.333333 0.666667 0.445347 Tl\n0.333333 0.666667 0.054653 Tl\n0.333333 0.666667 0.250000 Sb\n0.000000 0.000000 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.000000 0.000000 0.750000 Sb\n0.336113 0.064148 0.822314 O\n0.935852 0.271965 0.822314 O\n0.935852 0.663887 0.677686 O\n0.663887 0.728035 0.177686 O\n0.064148 0.336113 0.177686 O\n0.064148 0.728035 0.322314 O\n0.336113 0.271965 0.677686 O\n0.728035 0.064148 0.677686 O\n0.728035 0.663887 0.822314 O\n0.271965 0.935852 0.177686 O\n0.271965 0.336113 0.322314 O\n0.663887 0.935852 0.322314 O\n",
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{
"id": "mp-643702",
"created_at": "2022-09-04T14:48:29.733584Z",
"structure_string": "Cs6 Zn2 H10\n1.0\n-4.178118 4.178118 6.153128\n4.178118 -4.178118 6.153128\n4.178118 4.178118 -6.153128\nCs Zn H\n6 2 10\ndirect\n0.180432 0.680432 0.860864 Cs\n0.819568 0.319568 0.139136 Cs\n0.680432 0.819568 0.500000 Cs\n0.319568 0.180432 0.500000 Cs\n0.250000 0.250000 0.000000 Cs\n0.750000 0.750000 0.000000 Cs\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.445111 0.945111 0.729525 H\n0.215586 0.715586 0.270475 H\n0.945111 0.215586 0.500000 H\n0.715586 0.445111 0.500000 H\n0.554889 0.054889 0.270475 H\n0.784414 0.284414 0.729525 H\n0.054889 0.784414 0.500000 H\n0.284414 0.554889 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
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{
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"structure_string": "Ba2 Sr2 La2 Cu6 O13\n1.0\n0.000000 3.970672 11.850069\n3.884150 0.000000 11.850069\n3.884150 3.970672 0.000000\nBa Sr La Cu O\n2 2 2 6 13\ndirect\n0.400539 0.914249 0.599461 Ba\n0.914249 0.400539 0.085751 Ba\n0.100731 0.593016 0.899269 Sr\n0.593016 0.100731 0.406984 Sr\n0.748750 0.248455 0.251250 La\n0.248455 0.748750 0.751545 La\n0.324705 0.821975 0.178025 Cu\n0.821975 0.324705 0.675295 Cu\n0.170643 0.673374 0.326626 Cu\n0.673374 0.170643 0.829357 Cu\n0.012917 0.492528 0.507472 Cu\n0.492528 0.012917 0.987083 Cu\n0.446890 0.905464 0.094536 O\n0.905464 0.446890 0.553110 O\n0.046987 0.609346 0.390654 O\n0.609346 0.046987 0.953013 O\n0.064524 0.064524 0.435476 O\n0.564524 0.564524 0.935476 O\n0.066324 0.066324 0.933676 O\n0.564194 0.564194 0.435806 O\n0.931127 0.931127 0.568873 O\n0.431127 0.431127 0.068873 O\n0.932180 0.932180 0.067820 O\n0.427504 0.427504 0.572496 O\n0.257924 0.257924 0.742076 O\n",
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{
"id": "mp-1080292",
"created_at": "2022-09-04T14:48:30.379152Z",
"structure_string": "Ce4 Se8\n1.0\n8.908715 0.000000 0.000000\n0.000000 7.518005 0.000000\n0.000000 2.268094 8.022321\nCe Se\n4 8\ndirect\n0.500000 0.012180 0.008994 Ce\n0.500000 0.538525 0.474222 Ce\n0.000000 0.966277 0.770363 Ce\n0.000000 0.542899 0.430710 Ce\n0.000000 0.334945 0.755500 Se\n0.738307 0.425915 0.319628 Se\n0.261693 0.425915 0.319628 Se\n0.500000 0.916792 0.352171 Se\n0.256151 0.822446 0.937936 Se\n0.743849 0.822446 0.937936 Se\n0.000000 0.894972 0.465165 Se\n0.500000 0.368789 0.810727 Se\n",
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}