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{
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{
"id": "mp-1220163",
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"structure_string": "Nd1 Ga3 Ni1\n1.0\n-2.076313 2.076313 5.331981\n2.076313 -2.076313 5.331981\n2.076313 2.076313 -5.331981\nNd Ga Ni\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619235 0.619235 0.000000 Ga\n0.380765 0.380765 0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ni\n",
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{
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"structure_string": "Cs3 Mg3 In1 P12 O36\n1.0\n5.041299 8.245429 0.000000\n-5.041299 8.245429 0.000000\n0.000000 7.763056 9.985631\nCs Mg In P O\n3 3 1 12 36\ndirect\n0.211553 0.790453 0.994917 Cs\n0.004108 0.004108 0.501573 Cs\n0.790453 0.211553 0.994917 Cs\n0.751203 0.751203 0.923218 Mg\n0.203822 0.203822 0.594108 Mg\n0.248110 0.248110 0.075634 Mg\n0.794303 0.794303 0.408072 In\n0.762445 0.762445 0.168074 P\n0.579297 0.161796 0.804555 P\n0.200481 0.601754 0.367372 P\n0.838182 0.417952 0.196345 P\n0.601754 0.200481 0.367372 P\n0.329347 0.329347 0.271602 P\n0.667048 0.667048 0.732505 P\n0.390603 0.802707 0.634229 P\n0.161796 0.579297 0.804555 P\n0.802707 0.390603 0.634229 P\n0.417952 0.838182 0.196345 P\n0.236401 0.236401 0.828752 P\n0.820482 0.820482 0.019694 O\n0.947556 0.244407 0.661379 O\n0.818167 0.562200 0.237311 O\n0.496972 0.803308 0.070085 O\n0.350082 0.673879 0.324242 O\n0.436470 0.189233 0.759848 O\n0.173175 0.467696 0.503324 O\n0.803308 0.496972 0.070085 O\n0.706411 0.002032 0.791235 O\n0.997269 0.289859 0.208869 O\n0.673879 0.350082 0.324242 O\n0.272021 0.524808 0.255232 O\n0.172974 0.172974 0.780256 O\n0.467696 0.173175 0.503324 O\n0.524808 0.272021 0.255232 O\n0.754317 0.059217 0.335693 O\n0.227881 0.227881 0.408682 O\n0.335453 0.335453 0.148413 O\n0.659850 0.659850 0.856031 O\n0.772150 0.772150 0.597149 O\n0.244407 0.947556 0.661379 O\n0.477806 0.723071 0.742553 O\n0.524647 0.827609 0.495745 O\n0.829062 0.829062 0.213806 O\n0.723071 0.477806 0.742553 O\n0.322275 0.652016 0.675041 O\n0.002032 0.706411 0.791235 O\n0.289859 0.997269 0.208869 O\n0.195061 0.502239 0.929080 O\n0.827609 0.524647 0.495745 O\n0.562200 0.818167 0.237311 O\n0.652016 0.322275 0.675041 O\n0.502239 0.195061 0.929080 O\n0.189233 0.436470 0.759848 O\n0.059217 0.754317 0.335693 O\n0.179731 0.179731 0.977810 O\n",
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"formula_full": "Cs3 Mg3 In1 P12 O36",
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{
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"structure_string": "Pr4 Mg2 Ge4\n1.0\n7.532260 0.000000 0.000000\n0.000000 7.532260 0.000000\n0.000000 0.000000 4.439674\nPr Mg Ge\n4 2 4\ndirect\n0.321203 0.821203 0.500000 Pr\n0.821203 0.678797 0.500000 Pr\n0.178797 0.321203 0.500000 Pr\n0.678797 0.178797 0.500000 Pr\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.120530 0.620530 0.000000 Ge\n0.620530 0.879470 0.000000 Ge\n0.879470 0.379470 0.000000 Ge\n0.379470 0.120530 0.000000 Ge\n",
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{
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{
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{
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{
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"formula_full": "Sc4 Co4 O12",
"formula_reduced": "ScCoO3",
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"updated_at": "2021-11-28T01:35:14.720000Z",
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},
{
"id": "mp-1112681",
"created_at": "2022-09-04T14:41:16.771749Z",
"structure_string": "Cs2 Li1 La1 Cl6\n1.0\n0.000000 5.427377 5.427377\n5.427377 0.000000 5.427377\n5.427377 5.427377 0.000000\nCs Li La Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.743842 0.256158 0.256158 Cl\n0.256158 0.256158 0.743842 Cl\n0.256158 0.743842 0.743842 Cl\n0.256158 0.743842 0.256158 Cl\n0.743842 0.256158 0.743842 Cl\n0.743842 0.743842 0.256158 Cl\n",
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"volume": 319.74220476230965,
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"formula_full": "Cs2 Li1 La1 Cl6",
"formula_reduced": "Cs2LiLaCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:26.056000Z",
"spacegroup": 225
},
{
"id": "mp-1247030",
"created_at": "2022-09-04T14:41:16.782548Z",
"structure_string": "Lu1 Mg2 Mo3 S8\n1.0\n6.489515 -0.033963 3.691305\n2.131191 6.129558 3.691248\n-0.047920 -0.033963 7.465618\nLu Mg Mo S\n1 2 3 8\ndirect\n0.500013 0.500013 0.499972 Lu\n0.876055 0.876042 0.876055 Mg\n0.123944 0.123955 0.123929 Mg\n0.500003 0.499991 0.000002 Mo\n0.000000 0.499994 0.500011 Mo\n0.499995 0.000000 0.500009 Mo\n0.738369 0.738377 0.738381 S\n0.251027 0.251045 0.724286 S\n0.251032 0.724282 0.251037 S\n0.724285 0.251028 0.251027 S\n0.748950 0.275722 0.748953 S\n0.275714 0.748962 0.748983 S\n0.261633 0.261614 0.261635 S\n0.748986 0.748970 0.275720 S\n",
"nsites": 14,
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"chemical_system": "Lu-Mg-Mo-S",
"density": 4.262693421510049,
"density_atomic": 0.046800312708148155,
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"formula_full": "Lu1 Mg2 Mo3 S8",
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"updated_at": "2021-11-28T01:35:17.358000Z",
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}
]
}