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{
"id": "mp-757511",
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"structure_string": "Li8 Ni4 P16 O48\n1.0\n12.478425 0.000000 0.000000\n0.000000 7.662866 0.000000\n0.000000 5.267087 10.335974\nLi Ni P O\n8 4 16 48\ndirect\n0.060157 0.536308 0.597719 Li\n0.701566 0.968946 0.142069 Li\n0.560157 0.463692 0.902281 Li\n0.201566 0.031054 0.357931 Li\n0.798434 0.968946 0.642069 Li\n0.439843 0.536308 0.097719 Li\n0.298434 0.031054 0.857931 Li\n0.939843 0.463692 0.402281 Li\n0.152274 0.258655 0.987921 Ni\n0.652274 0.741345 0.512079 Ni\n0.347726 0.258655 0.487921 Ni\n0.847726 0.741345 0.012079 Ni\n0.821459 0.386619 0.691910 P\n0.420020 0.558804 0.597091 P\n0.333783 0.918793 0.146327 P\n0.920020 0.441196 0.902909 P\n0.937289 0.066492 0.136485 P\n0.321459 0.613381 0.808090 P\n0.437289 0.933508 0.363515 P\n0.833783 0.081207 0.353673 P\n0.166217 0.918793 0.646327 P\n0.562711 0.066492 0.636485 P\n0.678541 0.386619 0.191910 P\n0.062711 0.933508 0.863515 P\n0.079980 0.558804 0.097091 P\n0.666217 0.081207 0.853673 P\n0.579980 0.441196 0.402909 P\n0.178541 0.613381 0.308090 P\n0.637485 0.196793 0.924805 O\n0.364877 0.370700 0.621816 O\n0.915390 0.390792 0.608351 O\n0.857685 0.332589 0.835052 O\n0.247149 0.813884 0.267209 O\n0.852001 0.926146 0.137410 O\n0.536138 0.559769 0.630186 O\n0.751094 0.561937 0.648562 O\n0.251094 0.438063 0.851438 O\n0.036138 0.440231 0.869814 O\n0.395545 0.712893 0.450962 O\n0.357685 0.667411 0.664948 O\n0.050445 0.043297 0.104856 O\n0.438505 0.929655 0.224788 O\n0.792677 0.877096 0.431538 O\n0.292677 0.122904 0.068462 O\n0.938505 0.070345 0.275212 O\n0.415390 0.609208 0.891649 O\n0.864877 0.629300 0.878184 O\n0.550445 0.956703 0.395144 O\n0.137485 0.803207 0.575195 O\n0.895545 0.287107 0.049038 O\n0.252851 0.813884 0.767209 O\n0.647999 0.926146 0.637410 O\n0.352001 0.073854 0.362590 O\n0.747149 0.186116 0.232791 O\n0.104455 0.712893 0.950962 O\n0.862515 0.196793 0.424805 O\n0.449555 0.043297 0.604856 O\n0.135123 0.370700 0.121816 O\n0.584610 0.390792 0.108351 O\n0.061495 0.929655 0.724788 O\n0.707323 0.877096 0.931538 O\n0.207323 0.122904 0.568462 O\n0.561495 0.070345 0.775212 O\n0.949555 0.956703 0.895144 O\n0.642315 0.332589 0.335052 O\n0.604455 0.287107 0.549038 O\n0.963862 0.559769 0.130186 O\n0.748906 0.561937 0.148562 O\n0.248906 0.438063 0.351438 O\n0.463862 0.440231 0.369814 O\n0.147999 0.073854 0.862590 O\n0.752851 0.186116 0.732791 O\n0.142315 0.667411 0.164948 O\n0.084610 0.609208 0.391649 O\n0.635123 0.629300 0.378184 O\n0.362515 0.803207 0.075195 O\n",
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],
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"formula_full": "Li8 Ni4 P16 O48",
"formula_reduced": "Li2Ni(PO3)4",
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"spacegroup": 14
},
{
"id": "mp-690706",
"created_at": "2022-09-04T14:41:01.078417Z",
"structure_string": "Fe2 Ag6 H12 C12 N16\n1.0\n6.152846 4.751918 0.000000\n-6.152846 4.751918 0.000000\n0.000000 1.025046 12.391564\nFe Ag H C N\n2 6 12 12 16\ndirect\n0.006597 0.496265 0.495376 Fe\n0.496265 0.006597 0.995376 Fe\n0.054462 0.392951 0.904363 Ag\n0.392951 0.054462 0.404363 Ag\n0.934279 0.626113 0.092001 Ag\n0.626113 0.934279 0.592001 Ag\n0.843059 0.753382 0.777606 Ag\n0.753382 0.843059 0.277606 Ag\n0.138446 0.997611 0.806742 H\n0.997611 0.138446 0.306742 H\n0.051451 0.072519 0.701874 H\n0.072519 0.051451 0.201874 H\n0.164953 0.921747 0.686481 H\n0.921747 0.164953 0.186481 H\n0.494582 0.596139 0.825612 H\n0.596139 0.494582 0.325612 H\n0.606034 0.454122 0.871465 H\n0.454121 0.606034 0.371465 H\n0.576780 0.473146 0.740755 H\n0.473146 0.576780 0.240755 H\n0.790062 0.321377 0.477359 C\n0.321377 0.790062 0.977359 C\n0.219630 0.670119 0.516038 C\n0.670119 0.219630 0.016038 C\n0.990377 0.436259 0.645125 C\n0.436259 0.990377 0.145125 C\n0.026352 0.552897 0.342928 C\n0.552897 0.026352 0.842928 C\n0.130223 0.317382 0.473926 C\n0.317382 0.130223 0.973926 C\n0.879891 0.670970 0.515843 C\n0.670970 0.879891 0.015843 C\n0.661053 0.207848 0.464419 N\n0.207848 0.661053 0.964419 N\n0.348684 0.783277 0.529598 N\n0.783277 0.348684 0.029598 N\n0.986669 0.401583 0.738695 N\n0.401583 0.986669 0.238695 N\n0.032507 0.583014 0.248837 N\n0.583014 0.032507 0.748837 N\n0.203228 0.204341 0.460265 N\n0.204341 0.203228 0.960265 N\n0.802418 0.781131 0.528564 N\n0.781131 0.802418 0.028564 N\n0.077372 0.961248 0.737602 N\n0.961248 0.077372 0.237602 N\n0.599472 0.542380 0.808625 N\n0.542380 0.599472 0.308625 N\n",
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"volume": 724.6046270406941,
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"formula_full": "Fe2 Ag6 H12 C12 N16",
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"spacegroup": 9
},
{
"id": "mp-860790",
"created_at": "2022-09-04T14:44:20.440028Z",
"structure_string": "Li12 V4 F20\n1.0\n6.633635 0.000000 0.000000\n0.000000 7.889068 0.000000\n0.000000 0.000000 8.106781\nLi V F\n12 4 20\ndirect\n0.983596 0.926294 0.227976 Li\n0.983596 0.573706 0.227976 Li\n0.791678 0.250000 0.527757 Li\n0.708322 0.750000 0.027757 Li\n0.516404 0.426294 0.727976 Li\n0.516404 0.073706 0.727976 Li\n0.483596 0.926294 0.272024 Li\n0.483596 0.573706 0.272024 Li\n0.291678 0.250000 0.972243 Li\n0.208322 0.750000 0.472243 Li\n0.016404 0.073706 0.772024 Li\n0.016404 0.426294 0.772024 Li\n0.770823 0.750000 0.602113 V\n0.729177 0.250000 0.102113 V\n0.270823 0.750000 0.897887 V\n0.229177 0.250000 0.397887 V\n0.993836 0.250000 0.955621 F\n0.926386 0.750000 0.378485 F\n0.920004 0.250000 0.312342 F\n0.777124 0.483377 0.640983 F\n0.777124 0.016623 0.640983 F\n0.722876 0.983377 0.140983 F\n0.722876 0.516623 0.140983 F\n0.579996 0.750000 0.812342 F\n0.573614 0.250000 0.878485 F\n0.506164 0.750000 0.455621 F\n0.493836 0.250000 0.544379 F\n0.426386 0.750000 0.121515 F\n0.420004 0.250000 0.187658 F\n0.277124 0.483377 0.859017 F\n0.277124 0.016623 0.859017 F\n0.222876 0.983377 0.359017 F\n0.222876 0.516623 0.359017 F\n0.079996 0.750000 0.687658 F\n0.073614 0.250000 0.621515 F\n0.006164 0.750000 0.044379 F\n",
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"formula_full": "Li12 V4 F20",
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{
"id": "mp-1195575",
"created_at": "2022-09-04T14:46:39.768000Z",
"structure_string": "K2 Na2 V8 H8 O22\n1.0\n8.374991 0.000000 -0.049221\n0.017070 0.000000 8.420745\n4.187496 -8.042461 -0.024610\nK Na V H O\n2 2 8 8 22\ndirect\n0.512464 0.750000 0.975072 K\n0.487536 0.250000 0.024928 K\n0.847309 0.750000 0.305383 Na\n0.152691 0.250000 0.694617 Na\n0.998820 0.344022 0.415953 V\n0.585227 0.155978 0.415953 V\n0.001180 0.655978 0.584047 V\n0.414773 0.844022 0.584047 V\n0.800482 0.038442 0.591871 V\n0.607647 0.461558 0.591871 V\n0.199518 0.961558 0.408129 V\n0.392353 0.538442 0.408129 V\n0.869996 0.820689 0.975152 H\n0.154852 0.679311 0.975152 H\n0.130004 0.179311 0.024848 H\n0.845148 0.320689 0.024848 H\n0.769983 0.964904 0.095739 H\n0.134278 0.535096 0.095739 H\n0.230017 0.035097 0.904261 H\n0.865722 0.464904 0.904261 H\n0.142456 0.460375 0.503934 O\n0.353610 0.039625 0.503934 O\n0.857544 0.539625 0.496067 O\n0.646390 0.960375 0.496067 O\n0.035791 0.144720 0.509146 O\n0.455062 0.355280 0.509146 O\n0.964209 0.855280 0.490854 O\n0.544938 0.644720 0.490854 O\n0.744452 0.250000 0.511095 O\n0.255548 0.750000 0.488905 O\n0.101855 0.337814 0.208874 O\n0.689272 0.162186 0.208874 O\n0.898145 0.662186 0.791126 O\n0.310728 0.837814 0.791126 O\n0.694662 0.024648 0.797123 O\n0.508215 0.475352 0.797123 O\n0.305338 0.975352 0.202877 O\n0.491785 0.524648 0.202877 O\n0.794600 0.850156 0.091197 O\n0.114203 0.649844 0.091197 O\n0.205400 0.149844 0.908803 O\n0.885797 0.350156 0.908803 O\n",
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{
"id": "mp-1017215",
"created_at": "2022-09-04T14:48:11.043311Z",
"structure_string": "Cs2 Ba2 Mg12\n1.0\n5.457150 0.000000 0.000000\n0.000000 7.673083 0.000000\n0.000000 0.000000 12.639335\nCs Ba Mg\n2 2 12\ndirect\n0.000000 0.500000 0.344050 Cs\n0.000000 0.000000 0.844050 Cs\n0.500000 0.500000 0.158389 Ba\n0.500000 0.000000 0.658389 Ba\n0.000000 0.783196 0.086945 Mg\n0.000000 0.216804 0.086945 Mg\n0.000000 0.500000 0.831725 Mg\n0.500000 0.701584 0.912649 Mg\n0.500000 0.298416 0.912649 Mg\n0.500000 0.500000 0.666648 Mg\n0.000000 0.283196 0.586945 Mg\n0.000000 0.716804 0.586945 Mg\n0.000000 0.000000 0.331725 Mg\n0.500000 0.201584 0.412649 Mg\n0.500000 0.798416 0.412649 Mg\n0.500000 0.000000 0.166648 Mg\n",
"nsites": 16,
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],
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{
"id": "mp-1234580",
"created_at": "2022-09-04T14:42:46.671740Z",
"structure_string": "Rb4 Mg1 H12 Se8 O24\n1.0\n-6.159057 -0.052799 0.000000\n0.000000 0.000000 -6.367227\n-0.181348 -22.608216 0.000000\nRb Mg H Se O\n4 1 12 8 24\ndirect\n0.278166 0.248858 0.379887 Rb\n0.221834 0.248858 0.620113 Rb\n0.796772 0.752678 0.124753 Rb\n0.703228 0.752678 0.875247 Rb\n0.750000 0.194919 -0.000000 Mg\n0.296353 0.026821 0.064769 H\n0.203647 0.026821 0.935231 H\n0.793875 0.937994 0.447166 H\n0.706125 0.937994 0.552834 H\n0.986063 0.459395 0.263153 H\n0.513937 0.459395 0.736847 H\n0.485463 0.540439 0.240563 H\n0.014538 0.540439 0.759437 H\n0.616670 0.279204 0.139690 H\n0.883330 0.279204 0.860310 H\n0.109665 0.726407 0.363274 H\n0.390335 0.726407 0.636726 H\n0.237370 0.301770 0.130462 Se\n0.262630 0.301770 0.869538 Se\n0.730251 0.690661 0.375250 Se\n0.769749 0.690661 0.624750 Se\n0.739893 0.167870 0.255931 Se\n0.760107 0.167870 0.744069 Se\n0.241795 0.834348 0.247588 Se\n0.258205 0.834348 0.752412 Se\n0.221217 0.027195 0.103532 O\n0.278783 0.027195 0.896468 O\n0.692887 0.946648 0.414197 O\n0.807113 0.946648 0.585803 O\n0.521531 0.323875 0.270058 O\n0.978469 0.323875 0.729942 O\n0.021166 0.680311 0.235764 O\n0.478834 0.680311 0.764236 O\n0.516674 0.343735 0.107397 O\n0.983326 0.343735 0.892603 O\n0.008905 0.660030 0.395831 O\n0.491095 0.660030 0.604169 O\n0.783658 0.182639 0.181035 O\n0.716342 0.182639 0.818965 O\n0.281672 0.825068 0.322289 O\n0.218328 0.825068 0.677711 O\n0.111087 0.441538 0.080376 O\n0.388913 0.441538 0.919624 O\n0.612191 0.518724 0.419090 O\n0.887809 0.518724 0.580910 O\n0.964844 0.316532 0.284519 O\n0.535156 0.316532 0.715481 O\n0.464635 0.680217 0.217941 O\n0.035365 0.680217 0.782059 O\n",
"nsites": 49,
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{
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"updated_at": "2021-11-28T01:34:26.108000Z",
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}
]
}