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{
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{
"id": "mp-1234984",
"created_at": "2022-09-04T14:40:13.185430Z",
"structure_string": "Mg1 Fe4 P4 O16\n1.0\n8.507478 0.055938 0.436161\n0.076673 8.809326 0.151417\n-1.670168 0.064300 4.952234\nMg Fe P O\n1 4 4 16\ndirect\n0.500000 0.500000 0.500000 Mg\n0.155771 0.486303 0.398938 Fe\n0.309590 0.995436 0.026460 Fe\n0.690410 0.004564 0.973540 Fe\n0.844229 0.513697 0.601062 Fe\n0.247093 0.638102 0.887226 P\n0.307465 0.156111 0.581916 P\n0.692535 0.843889 0.418084 P\n0.752907 0.361898 0.112774 P\n0.082825 0.565952 0.725959 O\n0.182547 0.140561 0.748106 O\n0.214018 0.808167 0.923080 O\n0.248478 0.075223 0.317621 O\n0.366036 0.613172 0.719163 O\n0.298240 0.556018 0.165042 O\n0.345272 0.322550 0.533931 O\n0.459398 0.067514 0.772667 O\n0.540602 0.932486 0.227333 O\n0.654728 0.677450 0.466069 O\n0.701760 0.443982 0.834958 O\n0.633964 0.386828 0.280837 O\n0.751522 0.924777 0.682379 O\n0.785982 0.191833 0.076920 O\n0.817453 0.859439 0.251894 O\n0.917175 0.434047 0.274041 O\n",
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{
"id": "mp-757660",
"created_at": "2022-09-04T14:41:15.985130Z",
"structure_string": "Li8 Cu4 C4 O16\n1.0\n5.052138 0.000000 0.000000\n0.000000 6.901313 0.000000\n0.000000 1.637550 10.587089\nLi Cu C O\n8 4 4 16\ndirect\n0.660982 0.883512 0.791233 Li\n0.839018 0.883512 0.291233 Li\n0.824083 0.776196 0.567677 Li\n0.675917 0.776196 0.067677 Li\n0.324083 0.223804 0.932323 Li\n0.175917 0.223804 0.432323 Li\n0.160982 0.116488 0.708767 Li\n0.339018 0.116488 0.208767 Li\n0.837742 0.462542 0.821735 Cu\n0.337742 0.537458 0.678265 Cu\n0.662258 0.462542 0.321735 Cu\n0.162258 0.537458 0.178265 Cu\n0.173947 0.815944 0.939101 C\n0.326053 0.815944 0.439101 C\n0.673947 0.184056 0.560899 C\n0.826053 0.184056 0.060899 C\n0.307854 0.940373 0.859524 O\n0.192146 0.940373 0.359524 O\n0.923654 0.794963 0.927402 O\n0.576346 0.794963 0.427402 O\n0.194424 0.714120 0.531831 O\n0.654971 0.646492 0.715816 O\n0.305576 0.714120 0.031831 O\n0.845029 0.646492 0.215816 O\n0.154971 0.353508 0.784184 O\n0.694424 0.285880 0.968169 O\n0.345029 0.353508 0.284184 O\n0.805576 0.285880 0.468169 O\n0.423654 0.205037 0.572598 O\n0.076346 0.205037 0.072598 O\n0.807854 0.059627 0.640476 O\n0.692146 0.059627 0.140476 O\n",
"nsites": 32,
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],
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"density": 2.7609192990177625,
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"formula_full": "Li8 Cu4 C4 O16",
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"updated_at": "2021-11-28T01:35:16.138000Z",
"spacegroup": 14
},
{
"id": "mp-761267",
"created_at": "2022-09-04T14:39:42.039051Z",
"structure_string": "Li4 V2 O2 F8\n1.0\n-0.000558 -0.000011 3.637392\n-0.000022 10.299990 -0.000032\n-5.035285 0.000005 1.819470\nLi V O F\n4 2 2 8\ndirect\n0.132932 0.921549 0.733048 Li\n0.179930 0.248383 0.639401 Li\n0.820144 0.748391 0.360547 Li\n0.867024 0.421558 0.266978 Li\n0.139161 0.558900 0.721498 V\n0.861087 0.058959 0.278496 V\n0.659887 0.565784 0.681053 O\n0.340059 0.065827 0.318903 O\n0.036317 0.125598 0.926586 F\n0.054702 0.391368 0.890987 F\n0.692833 0.952472 0.613248 F\n0.229412 0.735894 0.541687 F\n0.770546 0.235899 0.458309 F\n0.307142 0.452447 0.386747 F\n0.963672 0.625573 0.073444 F\n0.945150 0.891398 0.109068 F\n",
"nsites": 16,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.7608575080448974,
"density_atomic": 0.0848189887181059,
"volume": 188.63700501282392,
"volume_molar": 7.099991229575321,
"formula_full": "Li4 V2 O2 F8",
"formula_reduced": "Li2VOF4",
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"energy": -99.38260107,
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"updated_at": "2021-11-28T01:34:32.967000Z",
"spacegroup": 36
},
{
"id": "mp-849336",
"created_at": "2022-09-04T14:44:49.326031Z",
"structure_string": "Li4 V6 P8 H8 O32\n1.0\n8.250675 0.000000 0.000000\n0.000000 8.868047 0.000000\n0.000000 1.366808 9.052806\nLi V P H O\n4 6 8 8 32\ndirect\n0.332502 0.002710 0.033513 Li\n0.167498 0.002710 0.533513 Li\n0.832502 0.997290 0.466487 Li\n0.667498 0.997290 0.966487 Li\n0.500000 0.500000 0.000000 V\n0.138756 0.646788 0.004074 V\n0.638756 0.353212 0.495926 V\n0.000000 0.500000 0.500000 V\n0.361244 0.646788 0.504074 V\n0.861244 0.353212 0.995926 V\n0.564854 0.177928 0.226901 P\n0.802141 0.613301 0.204502 P\n0.302141 0.386699 0.295498 P\n0.064854 0.822072 0.273099 P\n0.935146 0.177928 0.726901 P\n0.697859 0.613301 0.704502 P\n0.197859 0.386699 0.795498 P\n0.435146 0.822072 0.773099 P\n0.998886 0.112424 0.211424 H\n0.041846 0.277563 0.233713 H\n0.541846 0.722437 0.266287 H\n0.498886 0.887576 0.288576 H\n0.501114 0.112424 0.711424 H\n0.458154 0.277563 0.733713 H\n0.958154 0.722437 0.766287 H\n0.001114 0.887576 0.788576 H\n0.633248 0.313157 0.119689 O\n0.004937 0.216890 0.156347 O\n0.924198 0.545272 0.107407 O\n0.539031 0.038803 0.147615 O\n0.291642 0.485096 0.143042 O\n0.637920 0.651483 0.130929 O\n0.161878 0.853198 0.128545 O\n0.379669 0.222262 0.269724 O\n0.879669 0.777738 0.230276 O\n0.661878 0.146802 0.371455 O\n0.137920 0.348517 0.369071 O\n0.791642 0.514904 0.356958 O\n0.039031 0.961197 0.352385 O\n0.424198 0.454728 0.392593 O\n0.504937 0.783110 0.343653 O\n0.133248 0.686843 0.380311 O\n0.866752 0.313157 0.619689 O\n0.495063 0.216890 0.656347 O\n0.575802 0.545272 0.607407 O\n0.960969 0.038803 0.647615 O\n0.208358 0.485096 0.643042 O\n0.862080 0.651483 0.630929 O\n0.338122 0.853198 0.628545 O\n0.120331 0.222262 0.769724 O\n0.620331 0.777738 0.730276 O\n0.838122 0.146802 0.871455 O\n0.362080 0.348517 0.869071 O\n0.708358 0.514904 0.856958 O\n0.460969 0.961197 0.852385 O\n0.075802 0.454728 0.892593 O\n0.995063 0.783110 0.843653 O\n0.366752 0.686843 0.880311 O\n",
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"volume": 662.3700394701622,
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"formula_full": "Li4 V6 P8 H8 O32",
"formula_reduced": "Li2V3P4(HO4)4",
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"energy": -427.09813343,
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"updated_at": "2021-11-28T01:36:45.269000Z",
"spacegroup": 14
},
{
"id": "mp-1211965",
"created_at": "2022-09-04T14:47:06.145671Z",
"structure_string": "K12 Li12 Mo12 O48\n1.0\n9.180569 0.000000 0.000000\n0.000000 9.633252 0.000000\n0.000000 9.561058 16.811005\nK Li Mo O\n12 12 12 48\ndirect\n0.470561 0.849803 0.911635 K\n0.529439 0.150197 0.088365 K\n0.970561 0.150197 0.588365 K\n0.029439 0.849803 0.411635 K\n0.008656 0.501477 0.751666 K\n0.991344 0.498523 0.248334 K\n0.508656 0.498523 0.748334 K\n0.491344 0.501477 0.251666 K\n0.036815 0.803575 0.930123 K\n0.963185 0.196425 0.069877 K\n0.536815 0.196425 0.569877 K\n0.463185 0.803575 0.430123 K\n0.670250 0.840871 0.590825 Li\n0.329750 0.159129 0.409175 Li\n0.170250 0.159129 0.909175 Li\n0.829750 0.840871 0.090825 Li\n0.171042 0.518479 0.579865 Li\n0.828958 0.481521 0.420135 Li\n0.671042 0.481521 0.920135 Li\n0.328958 0.518479 0.079865 Li\n0.169096 0.822726 0.760453 Li\n0.830904 0.177274 0.239547 Li\n0.669096 0.177274 0.739547 Li\n0.330904 0.822726 0.260453 Li\n0.286625 0.475988 0.918064 Mo\n0.713375 0.524012 0.081936 Mo\n0.786625 0.524012 0.581936 Mo\n0.213375 0.475988 0.418064 Mo\n0.284603 0.840569 0.592676 Mo\n0.715397 0.159431 0.407324 Mo\n0.784603 0.159431 0.907324 Mo\n0.215397 0.840569 0.092676 Mo\n0.782864 0.813351 0.763270 Mo\n0.217136 0.186649 0.236730 Mo\n0.282864 0.186649 0.736730 Mo\n0.717136 0.813351 0.263270 Mo\n0.266781 0.612499 0.813529 O\n0.733219 0.387501 0.186471 O\n0.766781 0.387501 0.686471 O\n0.233219 0.612499 0.313529 O\n0.254396 0.579620 0.972881 O\n0.745604 0.420380 0.027119 O\n0.754396 0.420380 0.527119 O\n0.245604 0.579620 0.472881 O\n0.157412 0.896365 0.645666 O\n0.842588 0.103635 0.354334 O\n0.657412 0.103635 0.854334 O\n0.342588 0.896365 0.145666 O\n0.252368 0.948037 0.987393 O\n0.747632 0.051963 0.012607 O\n0.752368 0.051963 0.512607 O\n0.247632 0.948037 0.487393 O\n0.160610 0.312661 0.949197 O\n0.839390 0.687339 0.050803 O\n0.660610 0.687339 0.550803 O\n0.339390 0.312661 0.449197 O\n0.250379 0.974573 0.790207 O\n0.749621 0.025427 0.209793 O\n0.750379 0.025427 0.709793 O\n0.249621 0.974573 0.290207 O\n0.765228 0.735785 0.696017 O\n0.234772 0.264215 0.303983 O\n0.265228 0.264215 0.803983 O\n0.734772 0.735785 0.196017 O\n0.157931 0.285639 0.654906 O\n0.842069 0.714361 0.345094 O\n0.657931 0.714361 0.845094 O\n0.342069 0.285639 0.154906 O\n0.466417 0.884227 0.609955 O\n0.533583 0.115773 0.390045 O\n0.966417 0.115773 0.890045 O\n0.033583 0.884227 0.109955 O\n0.965999 0.773931 0.801290 O\n0.034001 0.226069 0.198710 O\n0.465999 0.226069 0.698710 O\n0.534001 0.773931 0.301290 O\n0.275005 0.629663 0.627477 O\n0.724995 0.370337 0.372523 O\n0.775005 0.370337 0.872523 O\n0.224995 0.629663 0.127477 O\n0.969175 0.600408 0.564092 O\n0.030825 0.399592 0.435908 O\n0.469175 0.399592 0.935908 O\n0.530825 0.600408 0.064092 O\n",
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"elements": [
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"volume": 1486.7440109056763,
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"formula_full": "K12 Li12 Mo12 O48",
"formula_reduced": "KLiMoO4",
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{
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"structure_string": "Ni4 P12 O36\n1.0\n9.446466 0.000000 0.000000\n-3.019805 8.960280 0.000000\n-2.527491 -4.336388 8.402796\nNi P O\n4 12 36\ndirect\n0.744655 0.225153 0.276958 Ni\n0.907573 0.708828 0.788261 Ni\n0.255345 0.774847 0.723042 Ni\n0.092427 0.291172 0.211739 Ni\n0.300899 0.434061 0.592349 P\n0.049688 0.782930 0.162856 P\n0.570964 0.339676 0.709718 P\n0.997576 0.394752 0.644731 P\n0.511681 0.153912 0.902323 P\n0.812787 0.906850 0.076179 P\n0.187213 0.093150 0.923821 P\n0.002424 0.605248 0.355269 P\n0.699101 0.565939 0.407651 P\n0.488319 0.846088 0.097677 P\n0.429036 0.660324 0.290282 P\n0.950312 0.217070 0.837144 P\n0.360161 0.811011 0.948093 O\n0.784646 0.074799 0.718631 O\n0.270267 0.515952 0.245041 O\n0.589933 0.303982 0.860685 O\n0.004686 0.625951 0.199101 O\n0.848436 0.258959 0.500933 O\n0.995314 0.374049 0.800899 O\n0.572974 0.604341 0.297084 O\n0.364536 0.620599 0.655272 O\n0.819282 0.854978 0.916821 O\n0.746910 0.671915 0.580714 O\n0.427026 0.395659 0.702916 O\n0.215354 0.925201 0.281369 O\n0.151564 0.741041 0.499067 O\n0.635464 0.379401 0.344728 O\n0.960566 0.280252 0.004882 O\n0.561764 0.014086 0.239930 O\n0.880250 0.092850 0.186342 O\n0.639839 0.188989 0.051907 O\n0.964490 0.423619 0.314607 O\n0.438236 0.985914 0.760070 O\n0.035510 0.576381 0.685393 O\n0.153011 0.362570 0.640081 O\n0.180718 0.145022 0.083179 O\n0.902750 0.829295 0.174696 O\n0.729733 0.484048 0.754959 O\n0.480323 0.813216 0.443205 O\n0.368132 0.193739 0.941195 O\n0.410067 0.696018 0.139315 O\n0.846989 0.637430 0.359919 O\n0.631868 0.806261 0.058805 O\n0.253090 0.328085 0.419286 O\n0.097250 0.170705 0.825304 O\n0.119750 0.907150 0.813658 O\n0.519677 0.186784 0.556795 O\n0.039434 0.719748 0.995118 O\n",
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{
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"structure_string": "Na3 Sn1\n1.0\n0.000000 3.835965 3.835965\n3.835965 0.000000 3.835965\n3.835965 3.835965 0.000000\nNa Sn\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sn\n",
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{
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}