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{
"id": "mp-780636",
"created_at": "2022-09-04T14:47:05.978731Z",
"structure_string": "Mn6 O10 F2\n1.0\n4.557733 0.000000 0.000000\n0.199939 5.445163 0.000000\n0.185153 0.480830 7.517187\nMn O F\n6 10 2\ndirect\n0.494908 0.162016 0.832469 Mn\n0.500000 0.500000 0.500000 Mn\n0.505092 0.837984 0.167531 Mn\n0.000000 0.000000 0.500000 Mn\n0.979513 0.330318 0.151244 Mn\n0.020487 0.669682 0.848756 Mn\n0.798955 0.043577 0.263215 O\n0.805527 0.374998 0.932673 O\n0.693212 0.868271 0.935958 O\n0.687141 0.196984 0.600796 O\n0.705144 0.545583 0.269193 O\n0.312859 0.803016 0.399204 O\n0.306788 0.131729 0.064042 O\n0.294856 0.454417 0.730807 O\n0.194473 0.625002 0.067327 O\n0.201045 0.956423 0.736785 O\n0.816876 0.693384 0.620026 F\n0.183124 0.306616 0.379974 F\n",
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{
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},
{
"id": "mp-1032269",
"created_at": "2022-09-04T14:47:06.173566Z",
"structure_string": "Mg6 Co1 Ni1 O8\n1.0\n8.531299 0.000000 0.000000\n0.000000 4.247878 0.000000\n0.000000 0.000000 4.247878\nMg Co Ni O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.247905 0.000000 0.500000 Mg\n0.752095 0.000000 0.500000 Mg\n0.247905 0.500000 0.000000 Mg\n0.752095 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ni\n0.251540 0.000000 0.000000 O\n0.748460 0.000000 0.000000 O\n0.250296 0.500000 0.500000 O\n0.749704 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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"Ni",
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"chemical_system": "Co-Mg-Ni-O",
"density": 4.2224853627655055,
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"volume": 153.94274756288678,
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"formula_full": "Mg6 Co1 Ni1 O8",
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"spacegroup": 123
},
{
"id": "mp-850892",
"created_at": "2022-09-04T14:47:06.194876Z",
"structure_string": "Li12 Mn5 V3 P12 O48\n1.0\n8.677494 0.000000 0.000000\n0.004508 8.691918 0.000000\n0.386208 0.048245 12.313589\nLi Mn V P O\n12 5 3 12 48\ndirect\n0.923063 0.080461 0.697178 Li\n0.918222 0.697459 0.761504 Li\n0.791837 0.783230 0.175205 Li\n0.708782 0.280499 0.325808 Li\n0.584505 0.194056 0.739034 Li\n0.574988 0.582386 0.802793 Li\n0.422879 0.419008 0.197688 Li\n0.417118 0.803834 0.263171 Li\n0.291791 0.716953 0.674947 Li\n0.207290 0.216556 0.827077 Li\n0.087228 0.305027 0.238180 Li\n0.077220 0.920094 0.301422 Li\n0.747686 0.034575 0.896704 Mn\n0.747635 0.959418 0.390787 Mn\n0.247219 0.540956 0.890759 Mn\n0.253521 0.964845 0.104180 Mn\n0.248540 0.465963 0.396506 Mn\n0.752460 0.530944 0.608433 V\n0.752510 0.459824 0.111137 V\n0.252796 0.037736 0.610046 V\n0.963720 0.250760 0.493852 P\n0.894804 0.382930 0.852278 P\n0.898375 0.103226 0.152371 P\n0.603082 0.600592 0.351245 P\n0.603752 0.883605 0.642873 P\n0.539549 0.748082 0.007132 P\n0.462880 0.248201 0.994730 P\n0.396061 0.117180 0.355519 P\n0.395778 0.396103 0.653412 P\n0.100477 0.898561 0.847311 P\n0.104024 0.616718 0.141985 P\n0.039074 0.752121 0.507020 P\n0.955591 0.868210 0.433941 O\n0.919606 0.888406 0.851482 O\n0.931904 0.681845 0.596541 O\n0.928550 0.594343 0.165295 O\n0.894288 0.369518 0.572974 O\n0.855860 0.212319 0.820270 O\n0.851161 0.410798 0.971285 O\n0.857463 0.982023 0.244170 O\n0.843177 0.266843 0.187546 O\n0.831368 0.175944 0.433163 O\n0.829399 0.046571 0.049116 O\n0.804071 0.500206 0.781317 O\n0.697104 0.002966 0.706810 O\n0.671653 0.549670 0.456776 O\n0.670931 0.667906 0.068142 O\n0.654908 0.761445 0.309446 O\n0.635719 0.901673 0.519646 O\n0.641711 0.714289 0.678109 O\n0.643303 0.477975 0.261510 O\n0.608631 0.866908 0.926946 O\n0.570879 0.177961 0.903732 O\n0.575270 0.387537 0.650616 O\n0.570828 0.098854 0.331463 O\n0.549276 0.364964 0.065786 O\n0.454757 0.633172 0.934788 O\n0.428623 0.904917 0.667237 O\n0.421781 0.610509 0.354050 O\n0.432432 0.817799 0.098609 O\n0.398297 0.129204 0.077719 O\n0.356851 0.518216 0.745402 O\n0.356878 0.287626 0.321711 O\n0.355988 0.093907 0.476512 O\n0.342072 0.232612 0.689240 O\n0.330798 0.323907 0.933951 O\n0.326364 0.454313 0.550259 O\n0.303088 0.997403 0.291237 O\n0.197706 0.498243 0.206960 O\n0.171280 0.953527 0.950854 O\n0.172232 0.832695 0.567210 O\n0.152838 0.737274 0.807443 O\n0.139480 0.020344 0.756018 O\n0.136339 0.599049 0.019194 O\n0.141252 0.786346 0.177782 O\n0.109168 0.633106 0.426866 O\n0.070205 0.401796 0.829919 O\n0.072181 0.323135 0.403212 O\n0.078862 0.114508 0.150090 O\n0.049009 0.135318 0.565368 O\n",
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],
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"density": 2.9509395435444814,
"density_atomic": 0.08613812036343739,
"volume": 928.7409530468137,
"volume_molar": 6.99126093603058,
"formula_full": "Li12 Mn5 V3 P12 O48",
"formula_reduced": "Li12Mn5V3(PO4)12",
"formula_anonymous": "A3B5C12D12E48",
"energy": -608.63632193,
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"updated_at": "2021-11-28T01:37:57.295000Z",
"spacegroup": 1
},
{
"id": "mp-775189",
"created_at": "2022-09-04T14:47:05.982095Z",
"structure_string": "Li12 Mn6 Fe6 P12 O48\n1.0\n6.130398 0.000000 0.000000\n0.000000 10.506304 0.000000\n0.000000 0.018900 14.296164\nLi Mn Fe P O\n12 6 6 12 48\ndirect\n0.251257 0.000711 0.000059 Li\n0.748743 0.000711 0.000059 Li\n0.250971 0.499721 0.166604 Li\n0.749029 0.499721 0.166604 Li\n0.250862 0.000163 0.333392 Li\n0.749138 0.000163 0.333392 Li\n0.251077 0.499955 0.500143 Li\n0.748923 0.499955 0.500143 Li\n0.250874 0.000529 0.666723 Li\n0.749126 0.000529 0.666723 Li\n0.251271 0.499817 0.833249 Li\n0.748729 0.499817 0.833249 Li\n0.000000 0.718393 0.008275 Mn\n0.000000 0.218670 0.158223 Mn\n0.500000 0.781246 0.174885 Mn\n0.000000 0.718723 0.341837 Mn\n0.000000 0.218477 0.491601 Mn\n0.000000 0.718309 0.675092 Mn\n0.500000 0.281503 0.324397 Fe\n0.500000 0.781590 0.508948 Fe\n0.500000 0.281500 0.657872 Fe\n0.000000 0.218331 0.825451 Fe\n0.500000 0.781777 0.842020 Fe\n0.500000 0.281354 0.990673 Fe\n0.500000 0.592163 0.028409 P\n0.500000 0.094416 0.137353 P\n0.000000 0.907661 0.195816 P\n0.000000 0.406847 0.305075 P\n0.500000 0.592651 0.363117 P\n0.500000 0.093477 0.470676 P\n0.000000 0.906853 0.528131 P\n0.000000 0.405709 0.638983 P\n0.500000 0.593482 0.695831 P\n0.500000 0.093969 0.804661 P\n0.000000 0.907836 0.861002 P\n0.000000 0.406013 0.971156 P\n0.500000 0.454573 0.068948 O\n0.298664 0.661598 0.073242 O\n0.701336 0.661598 0.073242 O\n0.000000 0.404231 0.078388 O\n0.000000 0.904647 0.087935 O\n0.298768 0.163814 0.092052 O\n0.701232 0.163814 0.092052 O\n0.500000 0.956840 0.096388 O\n0.000000 0.044300 0.237072 O\n0.798608 0.837583 0.239902 O\n0.201392 0.837583 0.239902 O\n0.500000 0.097056 0.244728 O\n0.500000 0.596111 0.255484 O\n0.797180 0.336603 0.261728 O\n0.202820 0.336603 0.261728 O\n0.000000 0.543269 0.262493 O\n0.500000 0.454928 0.403332 O\n0.299102 0.662846 0.407927 O\n0.700898 0.662846 0.407927 O\n0.000000 0.404885 0.412630 O\n0.000000 0.904953 0.420892 O\n0.700953 0.162895 0.425506 O\n0.299047 0.162895 0.425506 O\n0.500000 0.955378 0.430905 O\n0.000000 0.043025 0.570683 O\n0.797108 0.836299 0.571651 O\n0.202892 0.836299 0.571651 O\n0.500000 0.097291 0.578653 O\n0.500000 0.597547 0.588253 O\n0.202979 0.336186 0.595145 O\n0.797021 0.336186 0.595145 O\n0.000000 0.542367 0.597097 O\n0.500000 0.455361 0.735872 O\n0.299127 0.663042 0.741253 O\n0.700873 0.663042 0.741253 O\n0.000000 0.402348 0.746818 O\n0.000000 0.904485 0.753681 O\n0.702686 0.163685 0.760062 O\n0.297314 0.163685 0.760062 O\n0.500000 0.956354 0.764126 O\n0.000000 0.044921 0.902356 O\n0.797428 0.837606 0.905110 O\n0.202572 0.837606 0.905110 O\n0.500000 0.097236 0.912225 O\n0.500000 0.596930 0.920675 O\n0.202598 0.335587 0.927185 O\n0.797402 0.335587 0.927185 O\n0.000000 0.542736 0.929012 O\n",
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{
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{
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"structure_string": "Li2 Nd2 S4 O16\n1.0\n7.706840 0.000000 0.000000\n0.000000 7.706840 0.000000\n0.000000 0.000000 6.132655\nLi Nd S O\n2 2 4 16\ndirect\n0.000000 0.500000 0.750000 Li\n0.500000 0.000000 0.250000 Li\n0.000000 0.500000 0.250000 Nd\n0.500000 0.000000 0.750000 Nd\n0.220943 0.279057 0.750000 S\n0.779057 0.720943 0.750000 S\n0.720943 0.220943 0.250000 S\n0.279057 0.779057 0.250000 S\n0.183150 0.412833 0.925329 O\n0.816850 0.587167 0.925329 O\n0.683150 0.087167 0.425329 O\n0.316850 0.912833 0.425329 O\n0.587167 0.183150 0.074671 O\n0.412833 0.816850 0.074671 O\n0.087167 0.316850 0.574671 O\n0.912833 0.683150 0.574671 O\n0.204634 0.102013 0.841050 O\n0.795366 0.897987 0.841050 O\n0.704634 0.397987 0.341050 O\n0.295366 0.602013 0.341050 O\n0.102013 0.795366 0.158950 O\n0.897987 0.204634 0.158950 O\n0.602013 0.704634 0.658950 O\n0.397987 0.295366 0.658950 O\n",
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{
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"structure_string": "Y2 Mg12 B2\n1.0\n4.580155 0.000000 0.000000\n0.000000 5.689412 0.000000\n0.000000 0.000000 13.159314\nY Mg B\n2 12 2\ndirect\n0.500000 0.000000 0.193840 Y\n0.500000 0.500000 0.693840 Y\n0.500000 0.251519 0.445042 Mg\n0.500000 0.748481 0.445042 Mg\n0.000000 0.740343 0.080423 Mg\n0.000000 0.259657 0.080423 Mg\n0.000000 0.000000 0.354395 Mg\n0.000000 0.500000 0.285716 Mg\n0.500000 0.751519 0.945042 Mg\n0.500000 0.248481 0.945042 Mg\n0.000000 0.240343 0.580423 Mg\n0.000000 0.759657 0.580423 Mg\n0.000000 0.500000 0.854395 Mg\n0.000000 0.000000 0.785716 Mg\n0.500000 0.500000 0.115114 B\n0.500000 0.000000 0.615114 B\n",
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{
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