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{
"id": "mp-989592",
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{
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{
"id": "mp-1211139",
"created_at": "2022-09-04T14:43:38.291335Z",
"structure_string": "Na2 Al4 H16 Cl8 O16\n1.0\n0.000000 0.000000 7.998918\n10.146027 0.000000 0.000000\n0.000000 10.146027 0.000000\nNa Al H Cl O\n2 4 16 8 16\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.500000 0.250000 0.250000 Al\n0.500000 0.750000 0.750000 Al\n0.781761 0.124326 0.037106 H\n0.781761 0.875674 0.962894 H\n0.781761 0.462894 0.624326 H\n0.218239 0.375674 0.537106 H\n0.218239 0.375674 0.462894 H\n0.781761 0.537106 0.375674 H\n0.218239 0.624326 0.462894 H\n0.218239 0.624326 0.537106 H\n0.218239 0.037106 0.124326 H\n0.218239 0.037106 0.875674 H\n0.218239 0.962894 0.875674 H\n0.218239 0.962894 0.124326 H\n0.781761 0.124326 0.962894 H\n0.781761 0.875674 0.037106 H\n0.781761 0.537106 0.624326 H\n0.781761 0.462894 0.375674 H\n0.262599 0.179538 0.320462 Cl\n0.262599 0.820462 0.679538 Cl\n0.262599 0.179538 0.679538 Cl\n0.737401 0.320462 0.820462 Cl\n0.737401 0.320462 0.179538 Cl\n0.262599 0.820462 0.320462 Cl\n0.737401 0.679538 0.179538 Cl\n0.737401 0.679538 0.820462 Cl\n0.608312 0.263842 0.564663 O\n0.608312 0.736158 0.435337 O\n0.608312 0.935337 0.763842 O\n0.391688 0.236158 0.064663 O\n0.391688 0.236158 0.935337 O\n0.608312 0.064663 0.236158 O\n0.391688 0.763842 0.935337 O\n0.391688 0.763842 0.064663 O\n0.391688 0.564663 0.263842 O\n0.391688 0.564663 0.736158 O\n0.391688 0.435337 0.736158 O\n0.391688 0.435337 0.263842 O\n0.608312 0.263842 0.435337 O\n0.608312 0.736158 0.564663 O\n0.608312 0.064663 0.763842 O\n0.608312 0.935337 0.236158 O\n",
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"formula_full": "Na2 Al4 H16 Cl8 O16",
"formula_reduced": "NaAl2H8(ClO2)4",
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{
"id": "mp-1100466",
"created_at": "2022-09-04T14:45:12.915357Z",
"structure_string": "Mg4 Si8\n1.0\n3.731898 0.000000 0.000000\n0.000000 6.465110 0.000000\n0.000000 2.082206 9.611006\nMg Si\n4 8\ndirect\n0.007927 0.083602 0.750197 Mg\n0.992073 0.916398 0.249803 Mg\n0.492073 0.583602 0.750197 Mg\n0.507927 0.416398 0.249803 Mg\n0.502418 0.316317 0.552998 Si\n0.990526 0.350351 0.948423 Si\n0.009474 0.649649 0.051577 Si\n0.997582 0.816317 0.552998 Si\n0.497582 0.683683 0.447002 Si\n0.509474 0.850351 0.948423 Si\n0.490526 0.149649 0.051577 Si\n0.002418 0.183683 0.447002 Si\n",
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"formula_full": "Mg4 Si8",
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"updated_at": "2021-11-28T01:36:50.831000Z",
"spacegroup": 14
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{
"id": "mp-1112106",
"created_at": "2022-09-04T14:45:39.992772Z",
"structure_string": "Cs2 Y1 Tl1 Br6\n1.0\n0.000000 6.022166 6.022166\n6.022166 0.000000 6.022166\n6.022166 6.022166 0.000000\nCs Y Tl Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Tl\n0.767424 0.232576 0.232576 Br\n0.232576 0.232576 0.767424 Br\n0.232576 0.767424 0.767424 Br\n0.232576 0.767424 0.232576 Br\n0.767424 0.232576 0.767424 Br\n0.767424 0.767424 0.232576 Br\n",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1207234",
"created_at": "2022-09-04T14:39:41.979246Z",
"structure_string": "Yb2 Ga1 Ni2\n1.0\n-4.095308 0.000000 0.000000\n0.000000 -5.256610 0.000000\n2.047654 2.628305 4.269881\nYb Ga Ni\n2 1 2\ndirect\n0.800718 0.300718 0.601436 Yb\n0.199282 0.699282 0.398564 Yb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.261803 0.000000 Ni\n0.500000 0.738197 0.000000 Ni\n",
"nsites": 5,
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{
"id": "mp-1103715",
"created_at": "2022-09-04T14:43:14.362799Z",
"structure_string": "Cd4 O4 F4\n1.0\n5.774387 0.000000 0.000000\n0.000000 4.058077 0.000000\n0.000000 0.000000 7.281517\nCd O F\n4 4 4\ndirect\n0.726033 0.057209 0.886846 Cd\n0.773967 0.942791 0.386846 Cd\n0.226033 0.442791 0.113154 Cd\n0.273967 0.557209 0.613154 Cd\n0.967049 0.899679 0.658291 O\n0.532951 0.100321 0.158291 O\n0.467049 0.600321 0.341709 O\n0.032951 0.399679 0.841709 O\n0.516973 0.578946 0.881966 F\n0.983027 0.421054 0.381966 F\n0.016973 0.921054 0.118034 F\n0.483027 0.078946 0.618034 F\n",
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{
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"structure_string": "Li8 Bi1 O3\n1.0\n5.306167 0.000000 0.000000\n0.000000 5.306167 0.000000\n0.000000 0.000000 5.306167\nLi Bi O\n8 1 3\ndirect\n0.275330 0.275330 0.275330 Li\n0.724670 0.724670 0.275330 Li\n0.724670 0.275330 0.724670 Li\n0.275330 0.724670 0.724670 Li\n0.275330 0.275330 0.724670 Li\n0.724670 0.724670 0.724670 Li\n0.724670 0.275330 0.275330 Li\n0.275330 0.724670 0.275330 Li\n0.000000 0.000000 0.000000 Bi\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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{
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"structure_string": "Th12 Cd14\n1.0\n6.040969 0.000000 0.000000\n0.000000 9.939217 0.000000\n0.000000 0.000000 11.690004\nTh Cd\n12 14\ndirect\n0.000000 0.656527 0.956584 Th\n0.000000 0.343473 0.043416 Th\n0.000000 0.156527 0.543416 Th\n0.000000 0.843473 0.456584 Th\n0.500000 0.832075 0.913990 Th\n0.500000 0.167925 0.086010 Th\n0.500000 0.332075 0.586010 Th\n0.500000 0.667925 0.413990 Th\n0.500000 0.450407 0.873703 Th\n0.500000 0.549593 0.126297 Th\n0.500000 0.950407 0.626297 Th\n0.500000 0.049593 0.373703 Th\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.903326 0.752520 Cd\n0.000000 0.096674 0.247480 Cd\n0.000000 0.403326 0.747480 Cd\n0.000000 0.596674 0.252520 Cd\n0.743944 0.154841 0.819209 Cd\n0.743944 0.845159 0.180791 Cd\n0.256056 0.654841 0.680791 Cd\n0.256056 0.345159 0.319209 Cd\n0.256056 0.845159 0.180791 Cd\n0.256056 0.154841 0.819209 Cd\n0.743944 0.345159 0.319209 Cd\n0.743944 0.654841 0.680791 Cd\n",
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{
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{
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"structure_string": "La2 Mg1 Al1\n1.0\n0.000000 3.863436 3.863436\n3.863436 0.000000 3.863436\n3.863436 3.863436 0.000000\nLa Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
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"is_magnetic": false,
"total_magnetization": 3.38e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.159000Z",
"spacegroup": 225
}
]
}