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{
"id": "mp-754032",
"created_at": "2022-09-04T14:44:51.658481Z",
"structure_string": "Li8 Ni4 P8 O28\n1.0\n-0.000024 4.998339 -0.000225\n-8.808635 -0.001308 0.338983\n-1.363765 2.501089 12.850973\nLi Ni P O\n8 4 8 28\ndirect\n0.238243 0.436485 0.408723 Li\n0.738274 0.936576 0.408611 Li\n0.900946 0.311792 0.091703 Li\n0.401090 0.811827 0.091565 Li\n0.602546 0.184788 0.908385 Li\n0.102741 0.684873 0.908458 Li\n0.261288 0.064478 0.591641 Li\n0.761311 0.564234 0.591486 Li\n0.250086 0.750697 0.499790 Ni\n0.001926 0.998311 0.000086 Ni\n0.750302 0.250428 0.500356 Ni\n0.501553 0.498398 0.000202 Ni\n0.224000 0.390304 0.630369 P\n0.723801 0.890307 0.630039 P\n0.102840 0.358664 0.870415 P\n0.603426 0.858638 0.870160 P\n0.400218 0.137743 0.130233 P\n0.900275 0.637754 0.130196 P\n0.276735 0.110169 0.370195 P\n0.776719 0.610125 0.370137 P\n0.067829 0.374566 0.750350 O\n0.568291 0.874177 0.750128 O\n0.434068 0.122506 0.250511 O\n0.934090 0.622516 0.250453 O\n0.284760 0.492893 0.881934 O\n0.785178 0.992841 0.881706 O\n0.417305 0.256108 0.619267 O\n0.916751 0.756075 0.618323 O\n0.084345 0.244898 0.380695 O\n0.584443 0.744892 0.380589 O\n0.219834 0.003080 0.118529 O\n0.719732 0.503060 0.118527 O\n0.807538 0.368493 0.928072 O\n0.308205 0.868426 0.927820 O\n0.987929 0.380142 0.572108 O\n0.487376 0.880461 0.571920 O\n0.512729 0.120402 0.428539 O\n0.012697 0.620282 0.428423 O\n0.695375 0.128316 0.072507 O\n0.195372 0.628345 0.072491 O\n0.628597 0.453101 0.401465 O\n0.128743 0.953187 0.401401 O\n0.284216 0.294952 0.099283 O\n0.784281 0.794881 0.099212 O\n0.218817 0.201235 0.901065 O\n0.719526 0.701084 0.900819 O\n0.870022 0.047924 0.599744 O\n0.370025 0.547987 0.599761 O\n",
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"formula_full": "Li8 Ni4 P8 O28",
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"spacegroup": 15
},
{
"id": "mp-1110971",
"created_at": "2022-09-04T14:43:09.460031Z",
"structure_string": "Cs2 Li1 Sb1 F6\n1.0\n0.000000 4.504811 4.504811\n4.504811 0.000000 4.504811\n4.504811 4.504811 0.000000\nCs Li Sb F\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 Sb\n0.751709 0.248291 0.248291 F\n0.248291 0.248291 0.751709 F\n0.248291 0.751709 0.751709 F\n0.248291 0.751709 0.248291 F\n0.751709 0.248291 0.751709 F\n0.751709 0.751709 0.248291 F\n",
"nsites": 10,
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"density_atomic": 0.05469407475762506,
"volume": 182.83516165717512,
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"formula_full": "Cs2 Li1 Sb1 F6",
"formula_reduced": "Cs2LiSbF6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:36:03.453000Z",
"spacegroup": 225
},
{
"id": "mp-1195606",
"created_at": "2022-09-04T14:48:24.502898Z",
"structure_string": "K4 Zn6 Se8 O24\n1.0\n4.417254 5.807593 0.000000\n-4.417254 5.807593 0.000000\n0.000000 0.819500 13.988627\nK Zn Se O\n4 6 8 24\ndirect\n0.797741 0.782670 0.983052 K\n0.217330 0.202259 0.516948 K\n0.202259 0.217330 0.016948 K\n0.782670 0.797741 0.483052 K\n0.323106 0.626129 0.898070 Zn\n0.373871 0.676894 0.601930 Zn\n0.676894 0.373871 0.101930 Zn\n0.626129 0.323106 0.398070 Zn\n0.000642 0.999358 0.750000 Zn\n0.999358 0.000642 0.250000 Zn\n0.021669 0.583404 0.722107 Se\n0.416596 0.978331 0.777893 Se\n0.978331 0.416596 0.277893 Se\n0.583404 0.021669 0.222107 Se\n0.676821 0.281524 0.628961 Se\n0.718476 0.323179 0.871039 Se\n0.323179 0.718476 0.371039 Se\n0.281524 0.676821 0.128961 Se\n0.923288 0.802483 0.667853 O\n0.197517 0.076712 0.832147 O\n0.076712 0.197517 0.332147 O\n0.802483 0.923288 0.167853 O\n0.230743 0.498159 0.654349 O\n0.501841 0.769257 0.845651 O\n0.769257 0.501841 0.345651 O\n0.498159 0.230743 0.154349 O\n0.088360 0.676726 0.823962 O\n0.323274 0.911640 0.676038 O\n0.911640 0.323274 0.176038 O\n0.676726 0.088360 0.323962 O\n0.919120 0.211909 0.645613 O\n0.788091 0.080880 0.854387 O\n0.080880 0.788091 0.354387 O\n0.211909 0.919120 0.145613 O\n0.652221 0.178504 0.522760 O\n0.821496 0.347779 0.977240 O\n0.347779 0.821496 0.477240 O\n0.178504 0.652221 0.022760 O\n0.644894 0.517911 0.591895 O\n0.482089 0.355106 0.908105 O\n0.355106 0.482089 0.408105 O\n0.517911 0.644894 0.091895 O\n",
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"elements": [
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"O"
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"formula_full": "K4 Zn6 Se8 O24",
"formula_reduced": "K2Zn3(SeO3)4",
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"updated_at": "2021-11-28T01:39:08.194000Z",
"spacegroup": 15
},
{
"id": "mp-697451",
"created_at": "2022-09-04T14:39:15.646117Z",
"structure_string": "Zn2 P4 H8 O8\n1.0\n5.477406 0.000000 0.000000\n0.000000 6.557526 0.000000\n0.000000 0.000000 7.506516\nZn P H O\n2 4 8 8\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.250000 0.858257 P\n0.000000 0.750000 0.141743 P\n0.500000 0.250000 0.372233 P\n0.500000 0.750000 0.627767 P\n0.000000 0.422781 0.745921 H\n0.000000 0.577219 0.254079 H\n0.000000 0.077219 0.745921 H\n0.000000 0.922781 0.254079 H\n0.298297 0.250000 0.490605 H\n0.298297 0.750000 0.509395 H\n0.701703 0.750000 0.509395 H\n0.701703 0.250000 0.490605 H\n0.762341 0.250000 0.966461 O\n0.762341 0.750000 0.033539 O\n0.237659 0.750000 0.033539 O\n0.237659 0.250000 0.966461 O\n0.500000 0.449605 0.267204 O\n0.500000 0.550395 0.732796 O\n0.500000 0.050395 0.267204 O\n0.500000 0.949605 0.732796 O\n",
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"O"
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"chemical_system": "H-O-P-Zn",
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"density_atomic": 0.08159608314003984,
"volume": 269.6207851330602,
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"formula_full": "Zn2 P4 H8 O8",
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"updated_at": "2021-11-28T01:34:42.545000Z",
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},
{
"id": "mp-556458",
"created_at": "2022-09-04T14:47:36.108578Z",
"structure_string": "Ba3 Ca3 C6 O18\n1.0\n4.394181 -7.610944 0.000000\n4.394181 7.610944 0.000000\n0.000000 0.000000 6.243290\nBa Ca C O\n3 3 6 18\ndirect\n0.000000 0.686842 0.000000 Ba\n0.686842 0.000000 0.000000 Ba\n0.313158 0.313158 0.000000 Ba\n0.359868 0.000000 0.500000 Ca\n0.640132 0.640132 0.500000 Ca\n0.000000 0.359868 0.500000 Ca\n0.666667 0.333333 0.645527 C\n0.000000 0.000000 0.264962 C\n0.000000 0.000000 0.735038 C\n0.666667 0.333333 0.183816 C\n0.333333 0.666667 0.816184 C\n0.333333 0.666667 0.354473 C\n0.002245 0.148901 0.741589 O\n0.997755 0.146657 0.258411 O\n0.820282 0.344912 0.180888 O\n0.190187 0.675995 0.358286 O\n0.851099 0.853343 0.741589 O\n0.148901 0.002245 0.258411 O\n0.809813 0.485808 0.641714 O\n0.475371 0.655088 0.819112 O\n0.853343 0.851099 0.258411 O\n0.655088 0.475371 0.180888 O\n0.324005 0.514192 0.358286 O\n0.675995 0.190187 0.641714 O\n0.344912 0.820282 0.819112 O\n0.179718 0.524629 0.819112 O\n0.146657 0.997755 0.741589 O\n0.514192 0.324005 0.641714 O\n0.524629 0.179718 0.180888 O\n0.485808 0.809813 0.358286 O\n",
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"formula_full": "Ba3 Ca3 C6 O18",
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"spacegroup": 150
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{
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"structure_string": "Zr1 P2 H2 O6\n1.0\n2.758548 -4.777945 0.000000\n2.758548 4.777945 0.000000\n0.000000 0.000000 5.623766\nZr P H O\n1 2 2 6\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.708277 P\n0.333333 0.666667 0.291723 P\n0.666667 0.333333 0.458586 H\n0.333333 0.666667 0.541414 H\n0.359881 0.163146 0.786775 O\n0.803265 0.640119 0.786775 O\n0.836854 0.196735 0.786775 O\n0.640119 0.836854 0.213225 O\n0.196735 0.359881 0.213225 O\n0.163146 0.803265 0.213225 O\n",
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"formula_full": "Zr1 P2 H2 O6",
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{
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"structure_string": "Lu8 Ge4 O20\n1.0\n3.384167 7.340155 0.000000\n-3.384167 7.340155 0.000000\n0.000000 5.413245 8.764244\nLu Ge O\n8 4 20\ndirect\n0.760750 0.513608 0.661200 Lu\n0.224737 0.705133 0.967906 Lu\n0.294867 0.775263 0.532094 Lu\n0.513608 0.760750 0.161200 Lu\n0.486392 0.239250 0.838800 Lu\n0.705133 0.224737 0.467906 Lu\n0.775263 0.294867 0.032094 Lu\n0.239250 0.486392 0.338800 Lu\n0.721340 0.907841 0.308472 Ge\n0.092159 0.278660 0.191528 Ge\n0.907841 0.721340 0.808472 Ge\n0.278660 0.092159 0.691528 Ge\n0.908956 0.927303 0.128463 O\n0.122624 0.285349 0.553189 O\n0.415999 0.817630 0.672591 O\n0.152827 0.460654 0.175882 O\n0.539346 0.847173 0.324118 O\n0.580803 0.385297 0.896930 O\n0.614703 0.419197 0.603070 O\n0.072697 0.091044 0.371537 O\n0.285349 0.122624 0.053189 O\n0.182370 0.584001 0.827409 O\n0.817630 0.415999 0.172591 O\n0.714651 0.877376 0.946811 O\n0.927303 0.908956 0.628463 O\n0.385297 0.580803 0.396930 O\n0.419197 0.614703 0.103070 O\n0.460654 0.152827 0.675882 O\n0.847173 0.539346 0.824118 O\n0.584001 0.182370 0.327409 O\n0.877376 0.714651 0.446811 O\n0.091044 0.072697 0.871537 O\n",
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{
"id": "mp-1045646",
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"structure_string": "Ba4 Ca2 Cu2 Sb4 F28\n1.0\n2.774806 7.194824 0.000000\n-2.774806 7.194824 0.000000\n0.000000 0.219502 16.288181\nBa Ca Cu Sb F\n4 2 2 4 28\ndirect\n0.736497 0.902853 0.623338 Ba\n0.902853 0.736497 0.123338 Ba\n0.263503 0.097147 0.376662 Ba\n0.097147 0.263503 0.876662 Ba\n0.446431 0.553569 0.750000 Ca\n0.553569 0.446431 0.250000 Ca\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.838054 0.930947 0.876591 Sb\n0.161946 0.069053 0.123409 Sb\n0.930947 0.838054 0.376591 Sb\n0.069053 0.161946 0.623409 Sb\n0.898974 0.141023 0.331835 F\n0.597165 0.103233 0.455882 F\n0.402835 0.896767 0.544118 F\n0.139883 0.375287 0.607862 F\n0.578228 0.363282 0.612004 F\n0.636718 0.421772 0.887996 F\n0.103233 0.597165 0.955882 F\n0.858977 0.101026 0.168165 F\n0.029775 0.641463 0.789360 F\n0.860117 0.624713 0.392138 F\n0.574815 0.174207 0.765734 F\n0.624713 0.860117 0.892138 F\n0.174207 0.574815 0.265734 F\n0.425185 0.825793 0.234266 F\n0.363282 0.578228 0.112004 F\n0.970225 0.358537 0.210640 F\n0.306491 0.854033 0.988053 F\n0.101026 0.858977 0.668165 F\n0.693509 0.145967 0.011947 F\n0.854033 0.306491 0.488053 F\n0.896767 0.402835 0.044118 F\n0.825793 0.425185 0.734266 F\n0.641463 0.029775 0.289360 F\n0.145967 0.693509 0.511947 F\n0.421772 0.636718 0.387996 F\n0.141023 0.898974 0.831835 F\n0.358537 0.970225 0.710640 F\n0.375287 0.139883 0.107862 F\n",
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{
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