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{
"id": "mp-21531",
"created_at": "2022-09-04T14:45:04.686339Z",
"structure_string": "U8 Mn12 Si20\n1.0\n10.495619 0.000000 0.000000\n0.000000 10.495619 0.000000\n0.000000 0.000000 5.389779\nU Mn Si\n8 12 20\ndirect\n0.430465 0.264488 0.500000 U\n0.569535 0.735512 0.500000 U\n0.735512 0.430465 0.500000 U\n0.264488 0.569535 0.500000 U\n0.764488 0.930465 0.000000 U\n0.930465 0.235512 0.000000 U\n0.069535 0.764488 0.000000 U\n0.235512 0.069535 0.000000 U\n0.373855 0.640232 0.000000 Mn\n0.500000 0.000000 0.750000 Mn\n0.000000 0.500000 0.250000 Mn\n0.500000 0.000000 0.250000 Mn\n0.126145 0.140232 0.500000 Mn\n0.873855 0.859768 0.500000 Mn\n0.859768 0.126145 0.500000 Mn\n0.140232 0.873855 0.500000 Mn\n0.640232 0.626145 0.000000 Mn\n0.626145 0.359768 0.000000 Mn\n0.359768 0.373855 0.000000 Mn\n0.000000 0.500000 0.750000 Mn\n0.316242 0.020639 0.500000 Si\n0.683758 0.979361 0.500000 Si\n0.979361 0.316242 0.500000 Si\n0.020639 0.683758 0.500000 Si\n0.520639 0.816242 0.000000 Si\n0.816242 0.479361 0.000000 Si\n0.183758 0.520639 0.000000 Si\n0.479361 0.183758 0.000000 Si\n0.500000 0.500000 0.755531 Si\n0.000000 0.000000 0.744469 Si\n0.500000 0.500000 0.244469 Si\n0.000000 0.000000 0.255531 Si\n0.678802 0.178802 0.750000 Si\n0.178802 0.321198 0.750000 Si\n0.821198 0.678802 0.750000 Si\n0.678802 0.178802 0.250000 Si\n0.321198 0.821198 0.250000 Si\n0.821198 0.678802 0.250000 Si\n0.178802 0.321198 0.250000 Si\n0.321198 0.821198 0.750000 Si\n",
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{
"id": "mp-1216815",
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"structure_string": "Tl3 S2 O8\n1.0\n2.923338 5.011455 0.000000\n-2.923338 5.011455 0.000000\n0.000000 3.138036 7.213076\nTl S O\n3 2 8\ndirect\n0.500000 0.500000 0.000000 Tl\n0.705890 0.705890 0.384461 Tl\n0.294110 0.294110 0.615539 Tl\n0.893505 0.893505 0.819040 S\n0.106495 0.106495 0.180960 S\n0.197687 0.776163 0.751995 O\n0.776163 0.197687 0.751995 O\n0.778560 0.778560 0.740871 O\n0.802313 0.223837 0.248005 O\n0.223837 0.802313 0.248005 O\n0.221440 0.221440 0.259129 O\n0.827058 0.827058 0.022608 O\n0.172942 0.172942 0.977392 O\n",
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"formula_full": "Tl3 S2 O8",
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"spacegroup": 12
},
{
"id": "mp-581449",
"created_at": "2022-09-04T14:45:04.712650Z",
"structure_string": "Re3 Te6 Cl36\n1.0\n12.945199 -5.754096 0.000000\n12.945199 5.754096 0.000000\n10.387524 0.000000 9.632608\nRe Te Cl\n3 6 36\ndirect\n0.252863 0.252863 0.252863 Re\n0.747137 0.747137 0.747137 Re\n0.500000 0.500000 0.500000 Re\n0.749677 0.391017 0.105866 Te\n0.105866 0.749677 0.391017 Te\n0.250323 0.608983 0.894134 Te\n0.894134 0.250323 0.608983 Te\n0.608983 0.894134 0.250323 Te\n0.391017 0.105866 0.749677 Te\n0.384377 0.388978 0.094092 Cl\n0.103445 0.746661 0.780925 Cl\n0.780925 0.103445 0.746661 Cl\n0.896555 0.253339 0.219075 Cl\n0.880165 0.589524 0.882364 Cl\n0.564823 0.268220 0.558433 Cl\n0.094092 0.384377 0.388978 Cl\n0.435177 0.731780 0.441567 Cl\n0.558433 0.564823 0.268220 Cl\n0.611022 0.905908 0.615623 Cl\n0.117636 0.119835 0.410476 Cl\n0.388978 0.094092 0.384377 Cl\n0.441567 0.435177 0.731780 Cl\n0.390712 0.734857 0.738087 Cl\n0.097831 0.729522 0.038067 Cl\n0.738087 0.390712 0.734857 Cl\n0.219075 0.896555 0.253339 Cl\n0.609288 0.265143 0.261913 Cl\n0.253339 0.219075 0.896555 Cl\n0.268220 0.558433 0.564823 Cl\n0.734857 0.738087 0.390712 Cl\n0.905908 0.615623 0.611022 Cl\n0.731780 0.441567 0.435177 Cl\n0.589524 0.882364 0.880165 Cl\n0.746661 0.780925 0.103445 Cl\n0.902169 0.270478 0.961933 Cl\n0.410476 0.117636 0.119835 Cl\n0.961933 0.902169 0.270478 Cl\n0.615623 0.611022 0.905908 Cl\n0.265143 0.261913 0.609288 Cl\n0.882364 0.880165 0.589524 Cl\n0.729522 0.038067 0.097831 Cl\n0.119835 0.410476 0.117636 Cl\n0.038067 0.097831 0.729522 Cl\n0.270478 0.961933 0.902169 Cl\n0.261913 0.609288 0.265143 Cl\n",
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"elements": [
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],
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"volume": 1435.02582552027,
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"formula_full": "Re3 Te6 Cl36",
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{
"id": "mp-1096523",
"created_at": "2022-09-04T14:45:04.715065Z",
"structure_string": "Nb2 Co1 Re1\n1.0\n4.866400 9.735294 0.000000\n-4.866400 9.735294 0.000000\n0.000000 6.279113 9.306480\nNb Co Re\n2 1 1\ndirect\n0.266762 0.733238 0.000000 Nb\n0.768307 0.231693 0.000000 Nb\n0.982235 0.017765 0.000000 Co\n0.482566 0.517434 0.000000 Re\n",
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{
"id": "mp-765602",
"created_at": "2022-09-04T14:45:04.621184Z",
"structure_string": "Na5 Ni9 O16\n1.0\n5.472813 0.041728 0.025512\n0.000000 -6.046834 9.890312\n1.732885 -4.158865 -2.542687\nNa Ni O\n5 9 16\ndirect\n0.500000 0.118690 0.000000 Na\n0.500000 0.375000 0.000000 Na\n0.500000 0.631310 0.000000 Na\n0.500000 0.239373 0.500000 Na\n0.500000 0.510627 0.500000 Na\n0.000000 0.249480 0.000000 Ni\n0.000000 0.753934 0.000000 Ni\n0.000000 0.500520 0.000000 Ni\n0.000000 0.996066 0.000000 Ni\n0.000000 0.627085 0.500000 Ni\n0.000000 0.875000 0.500000 Ni\n0.000000 0.122915 0.500000 Ni\n0.000000 0.375000 0.500000 Ni\n0.500000 0.875000 0.000000 Ni\n0.199425 0.496053 0.267635 O\n0.199425 0.253947 0.267635 O\n0.198644 0.760833 0.241315 O\n0.198644 0.989167 0.241315 O\n0.199478 0.375000 0.780000 O\n0.191272 0.121403 0.791286 O\n0.208116 0.875000 0.798856 O\n0.191272 0.628597 0.791286 O\n0.800522 0.375000 0.220000 O\n0.808728 0.121403 0.208714 O\n0.791884 0.875000 0.201144 O\n0.808728 0.628597 0.208714 O\n0.801356 0.760833 0.758685 O\n0.801356 0.989167 0.758685 O\n0.800575 0.496053 0.732365 O\n0.800575 0.253947 0.732365 O\n",
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{
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"structure_string": "Ca3 Zn1 Se4\n1.0\n6.381835 0.000000 0.000000\n0.000000 6.381835 0.000000\n0.000000 0.000000 6.381835\nCa Zn Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.769907 0.769907 0.230093 Se\n0.769907 0.230093 0.769907 Se\n0.230093 0.769907 0.769907 Se\n0.230093 0.230093 0.230093 Se\n",
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{
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"structure_string": "Zn12 Fe24 O48\n1.0\n3.025828 -5.240887 0.000000\n3.025828 5.240887 0.000000\n0.000000 0.000000 29.607908\nZn Fe O\n12 24 48\ndirect\n0.333333 0.666667 0.977976 Zn\n0.666667 0.333333 0.999111 Zn\n0.666667 0.333333 0.810824 Zn\n0.000000 0.000000 0.832376 Zn\n0.000000 0.000000 0.645777 Zn\n0.333333 0.666667 0.479332 Zn\n0.666667 0.333333 0.688009 Zn\n0.666667 0.333333 0.312708 Zn\n0.000000 0.000000 0.521032 Zn\n0.000000 0.000000 0.146079 Zn\n0.333333 0.666667 0.354476 Zn\n0.666667 0.333333 0.187817 Zn\n0.830720 0.169280 0.916840 Fe\n0.830720 0.661441 0.916840 Fe\n0.164788 0.835212 0.750127 Fe\n0.338559 0.169280 0.916840 Fe\n0.333333 0.666667 0.854995 Fe\n0.333333 0.666667 0.667295 Fe\n0.164788 0.329577 0.750127 Fe\n0.670423 0.835212 0.750127 Fe\n0.499630 0.500370 0.583775 Fe\n0.666667 0.333333 0.500488 Fe\n0.499630 0.999260 0.583775 Fe\n0.833171 0.166829 0.416869 Fe\n0.000740 0.500370 0.583775 Fe\n0.666911 0.833455 0.250215 Fe\n0.833171 0.666341 0.416869 Fe\n0.000000 0.000000 0.333726 Fe\n0.166545 0.833455 0.250215 Fe\n0.333659 0.166829 0.416869 Fe\n0.333333 0.666667 0.166959 Fe\n0.166545 0.333089 0.250215 Fe\n0.499094 0.500906 0.083291 Fe\n0.499094 0.998189 0.083291 Fe\n0.001811 0.500906 0.083291 Fe\n0.000000 0.000000 0.021102 Fe\n0.511056 0.488944 0.955156 O\n0.666667 0.333333 0.879766 O\n0.511056 0.022113 0.955156 O\n0.977887 0.488944 0.955156 O\n0.843930 0.156070 0.788099 O\n0.681202 0.840601 0.877929 O\n0.000000 0.000000 0.955154 O\n0.159399 0.318798 0.877929 O\n0.000000 0.000000 0.713079 O\n0.843930 0.687860 0.788099 O\n0.312140 0.156070 0.788099 O\n0.159399 0.840601 0.877929 O\n0.180689 0.819311 0.623599 O\n0.029972 0.514986 0.709765 O\n0.333333 0.666667 0.789115 O\n0.485014 0.970028 0.709765 O\n0.333333 0.666667 0.546761 O\n0.180689 0.361379 0.623599 O\n0.638621 0.819311 0.623599 O\n0.485014 0.514986 0.709765 O\n0.513534 0.486466 0.456408 O\n0.360695 0.180348 0.543299 O\n0.666667 0.333333 0.619852 O\n0.819652 0.639305 0.543299 O\n0.513534 0.027068 0.456408 O\n0.666667 0.333333 0.380031 O\n0.972932 0.486466 0.456408 O\n0.819652 0.180348 0.543299 O\n0.846875 0.153125 0.289776 O\n0.694156 0.847078 0.376508 O\n0.152922 0.305844 0.376508 O\n0.000000 0.000000 0.453065 O\n0.000000 0.000000 0.213387 O\n0.846875 0.693751 0.289776 O\n0.306249 0.153125 0.289776 O\n0.152922 0.847078 0.376508 O\n0.180697 0.819303 0.123201 O\n0.027220 0.513610 0.209855 O\n0.180697 0.361395 0.123201 O\n0.333333 0.666667 0.286431 O\n0.333333 0.666667 0.046599 O\n0.486390 0.972780 0.209855 O\n0.638605 0.819303 0.123201 O\n0.486390 0.513610 0.209855 O\n0.344530 0.172265 0.044526 O\n0.666667 0.333333 0.118963 O\n0.827735 0.655470 0.044526 O\n0.827735 0.172265 0.044526 O\n",
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{
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{
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{
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}