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{
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{
"id": "mp-1224147",
"created_at": "2022-09-04T14:39:41.886935Z",
"structure_string": "In1 Ga1 Cu2 Se4\n1.0\n-2.882828 2.882828 5.729353\n2.882828 -2.882828 5.729353\n2.882828 2.882828 -5.729353\nIn Ga Cu Se\n1 1 2 4\ndirect\n0.500000 0.500000 0.000000 In\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.103875 0.100870 0.467500 Se\n0.633370 0.636375 0.532500 Se\n0.363625 0.896125 0.996995 Se\n0.899130 0.366630 0.003005 Se\n",
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{
"id": "mp-758325",
"created_at": "2022-09-04T14:39:05.683710Z",
"structure_string": "Li8 Cu4 Si4 O16\n1.0\n5.033378 0.000000 0.000000\n0.000000 6.349562 0.000000\n0.000000 0.499798 10.710161\nLi Cu Si O\n8 4 4 16\ndirect\n0.319911 0.006292 0.587251 Li\n0.180089 0.006292 0.087251 Li\n0.317975 0.760773 0.833180 Li\n0.182025 0.760773 0.333180 Li\n0.817975 0.239227 0.666820 Li\n0.682025 0.239227 0.166820 Li\n0.819911 0.993708 0.912749 Li\n0.680089 0.993708 0.412749 Li\n0.278170 0.510484 0.584783 Cu\n0.221830 0.510484 0.084783 Cu\n0.778170 0.489516 0.915217 Cu\n0.721830 0.489516 0.415217 Cu\n0.818245 0.759863 0.665622 Si\n0.681755 0.759863 0.165622 Si\n0.318245 0.240137 0.834378 Si\n0.181755 0.240137 0.334378 Si\n0.714884 0.976056 0.595128 O\n0.785116 0.976056 0.095128 O\n0.708494 0.747140 0.811555 O\n0.148812 0.749047 0.667748 O\n0.791506 0.747140 0.311555 O\n0.351188 0.749047 0.167748 O\n0.710081 0.549869 0.591385 O\n0.789919 0.549869 0.091385 O\n0.210081 0.450131 0.908615 O\n0.289919 0.450131 0.408615 O\n0.648812 0.250953 0.832252 O\n0.208494 0.252860 0.688445 O\n0.851188 0.250953 0.332252 O\n0.291506 0.252860 0.188445 O\n0.214884 0.023944 0.904872 O\n0.285116 0.023944 0.404872 O\n",
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"volume": 342.29402175652405,
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"formula_full": "Li8 Cu4 Si4 O16",
"formula_reduced": "Li2CuSiO4",
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{
"id": "mp-22166",
"created_at": "2022-09-04T14:39:22.188416Z",
"structure_string": "Co12 Mo12 N4\n1.0\n0.000000 5.524949 5.524949\n5.524949 0.000000 5.524949\n5.524949 5.524949 0.000000\nCo Mo N\n12 12 4\ndirect\n0.625000 0.125000 0.625000 Co\n0.625000 0.625000 0.125000 Co\n0.125000 0.625000 0.625000 Co\n0.625000 0.625000 0.625000 Co\n0.830409 0.508773 0.830409 Co\n0.419591 0.419591 0.741227 Co\n0.741227 0.419591 0.419591 Co\n0.419591 0.419591 0.419591 Co\n0.508773 0.830409 0.830409 Co\n0.830409 0.830409 0.830409 Co\n0.830409 0.830409 0.508773 Co\n0.419591 0.741227 0.419591 Co\n0.202096 0.202096 0.797904 Mo\n0.452096 0.047904 0.047904 Mo\n0.047904 0.452096 0.452096 Mo\n0.452096 0.452096 0.047904 Mo\n0.452096 0.047904 0.452096 Mo\n0.047904 0.452096 0.047904 Mo\n0.797904 0.202096 0.797904 Mo\n0.797904 0.202096 0.202096 Mo\n0.202096 0.797904 0.797904 Mo\n0.202096 0.797904 0.202096 Mo\n0.047904 0.047904 0.452096 Mo\n0.797904 0.797904 0.202096 Mo\n0.125000 0.625000 0.125000 N\n0.125000 0.125000 0.625000 N\n0.625000 0.125000 0.125000 N\n0.125000 0.125000 0.125000 N\n",
"nsites": 28,
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"formula_full": "Co12 Mo12 N4",
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"spacegroup": 227
},
{
"id": "mp-1295198",
"created_at": "2022-09-04T14:39:18.554818Z",
"structure_string": "Li4 Fe4 Si4 O14\n1.0\n-2.681806 4.648998 -0.059190\n0.113226 -0.027362 8.155901\n8.047842 4.649938 0.118886\nLi Fe Si O\n4 4 4 14\ndirect\n0.495796 0.228075 0.168850 Li\n0.995814 0.228130 0.668832 Li\n0.004029 0.771842 0.331092 Li\n0.504031 0.771813 0.831092 Li\n0.003327 0.772542 0.664838 Fe\n0.996423 0.227111 0.335383 Fe\n0.503285 0.772430 0.164476 Fe\n0.496695 0.227082 0.835490 Fe\n0.998117 0.299141 0.001084 Si\n0.497888 0.299210 0.501029 Si\n0.502085 0.700861 0.498916 Si\n0.002023 0.700839 0.998907 Si\n0.000646 0.500001 0.000043 O\n0.500564 0.499994 0.500129 O\n0.860783 0.761487 0.144718 O\n0.360768 0.761543 0.644736 O\n0.793846 0.766824 0.495927 O\n0.293717 0.766900 0.995765 O\n0.145446 0.234176 0.145974 O\n0.645160 0.234143 0.645920 O\n0.354784 0.765597 0.353944 O\n0.854487 0.765721 0.854082 O\n0.706097 0.233678 0.004096 O\n0.205842 0.233778 0.504070 O\n0.639173 0.238501 0.355193 O\n0.139366 0.238579 0.855217 O\n",
"nsites": 26,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 2.3983157628397116,
"density_atomic": 0.06392037296557461,
"volume": 406.7560746869036,
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"formula_full": "Li4 Fe4 Si4 O14",
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},
{
"id": "mp-766895",
"created_at": "2022-09-04T14:39:47.179910Z",
"structure_string": "Cr8 Ni50 Mo17\n1.0\n9.262604 0.000000 0.000000\n-2.590180 9.565049 0.000000\n-4.592477 -1.528861 10.096612\nCr Ni Mo\n8 50 17\ndirect\n0.642137 0.037506 0.714556 Cr\n0.479922 0.279237 0.040555 Cr\n0.756476 0.362205 0.484010 Cr\n0.682369 0.476808 0.635636 Cr\n0.321151 0.520427 0.360441 Cr\n0.080033 0.879899 0.839816 Cr\n0.717206 0.923549 0.564761 Cr\n0.360810 0.960312 0.280077 Cr\n0.865067 0.199896 0.929212 Ni\n0.512449 0.242581 0.653435 Ni\n0.152147 0.285691 0.373505 Ni\n0.428461 0.359877 0.815869 Ni\n0.063972 0.401274 0.532857 Ni\n0.979256 0.519235 0.689103 Ni\n0.908355 0.645375 0.850033 Ni\n0.783723 0.321416 0.092173 Ni\n0.705128 0.438535 0.253865 Ni\n0.349798 0.479709 0.974501 Ni\n0.626783 0.558514 0.416727 Ni\n0.269967 0.601067 0.137269 Ni\n0.550387 0.681077 0.570808 Ni\n0.193404 0.724512 0.293656 Ni\n0.470337 0.805291 0.731337 Ni\n0.108910 0.841303 0.454859 Ni\n0.384427 0.921467 0.893559 Ni\n0.024606 0.961573 0.616599 Ni\n0.941722 0.077875 0.769646 Ni\n0.826620 0.761501 0.011709 Ni\n0.747730 0.883018 0.173433 Ni\n0.664288 0.000573 0.336599 Ni\n0.309783 0.043948 0.054056 Ni\n0.590159 0.120656 0.493537 Ni\n0.229866 0.159316 0.213747 Ni\n0.176064 0.238028 0.987498 Ni\n0.806241 0.276833 0.702145 Ni\n0.457924 0.322189 0.429542 Ni\n0.731640 0.399389 0.862896 Ni\n0.376303 0.438773 0.584787 Ni\n0.291122 0.558692 0.745431 Ni\n0.210446 0.679692 0.906934 Ni\n0.095017 0.358922 0.149262 Ni\n0.016021 0.478797 0.306949 Ni\n0.648686 0.513811 0.027091 Ni\n0.928563 0.594319 0.467182 Ni\n0.572569 0.638968 0.188461 Ni\n0.849674 0.719150 0.629020 Ni\n0.491029 0.758187 0.350259 Ni\n0.771851 0.841680 0.782208 Ni\n0.420065 0.881822 0.507836 Ni\n0.690513 0.959398 0.942522 Ni\n0.336917 0.999150 0.667165 Ni\n0.251797 0.115672 0.830334 Ni\n0.134062 0.800727 0.066072 Ni\n0.055923 0.917492 0.226642 Ni\n0.972463 0.038832 0.387388 Ni\n0.610453 0.081177 0.106600 Ni\n0.886739 0.156381 0.546321 Ni\n0.530474 0.196646 0.267349 Ni\n0.001914 0.997172 0.994901 Mo\n0.284557 0.077632 0.435815 Mo\n0.559570 0.160072 0.879475 Mo\n0.201169 0.199022 0.599551 Mo\n0.118131 0.318314 0.759105 Mo\n0.039837 0.439841 0.919710 Mo\n0.920106 0.120506 0.159610 Mo\n0.837276 0.242732 0.324911 Mo\n0.400897 0.399056 0.200418 Mo\n0.602106 0.597582 0.794475 Mo\n0.243738 0.637903 0.515917 Mo\n0.519642 0.719909 0.959077 Mo\n0.156817 0.762569 0.683484 Mo\n0.959636 0.560685 0.079139 Mo\n0.879587 0.680546 0.242193 Mo\n0.796617 0.802873 0.406397 Mo\n0.438398 0.843636 0.125985 Mo\n",
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],
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{
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"structure_string": "Ce1 Eu2 V1 O6\n1.0\n0.000000 -4.158749 -4.158749\n4.158749 0.000000 -4.158749\n4.158749 -4.158749 -0.000000\nCe Eu V O\n1 2 1 6\ndirect\n0.000000 0.000000 -0.000000 Ce\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 V\n0.734367 0.265633 0.265633 O\n0.265633 0.734367 0.734367 O\n0.734367 0.265633 0.734367 O\n0.265633 0.734367 0.265633 O\n0.734367 0.734367 0.265633 O\n0.265633 0.265633 0.734367 O\n",
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"formula_full": "Ce1 Eu2 V1 O6",
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{
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"structure_string": "Y4 Ge4 Ir4\n1.0\n4.306779 0.000000 0.000000\n0.000000 6.874697 0.000000\n0.000000 0.000000 7.682047\nY Ge Ir\n4 4 4\ndirect\n0.250000 0.007309 0.309193 Y\n0.250000 0.507309 0.190807 Y\n0.750000 0.992691 0.690807 Y\n0.750000 0.492691 0.809193 Y\n0.250000 0.291305 0.612088 Ge\n0.250000 0.791305 0.887912 Ge\n0.750000 0.708695 0.387912 Ge\n0.750000 0.208695 0.112088 Ge\n0.250000 0.160170 0.936092 Ir\n0.250000 0.660170 0.563908 Ir\n0.750000 0.839830 0.063908 Ir\n0.750000 0.339830 0.436092 Ir\n",
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"formula_full": "Y4 Ge4 Ir4",
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{
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"created_at": "2022-09-04T14:39:32.679026Z",
"structure_string": "Li10 Fe4 P4 C4 O28\n1.0\n6.468244 0.000000 0.000000\n0.000000 9.383721 0.000000\n0.000000 4.543521 9.089007\nLi Fe P C O\n10 4 4 4 28\ndirect\n0.494292 0.103799 0.556390 Li\n0.505708 0.103799 0.056390 Li\n0.317297 0.289955 0.738801 Li\n0.682703 0.289955 0.238801 Li\n0.743087 0.739278 0.762214 Li\n0.257888 0.739367 0.760081 Li\n0.742112 0.739367 0.260081 Li\n0.256913 0.739278 0.262214 Li\n0.991043 0.899945 0.931908 Li\n0.008957 0.899945 0.431908 Li\n0.000311 0.326436 0.938555 Fe\n0.999689 0.326436 0.438555 Fe\n0.498616 0.667524 0.560150 Fe\n0.501384 0.667524 0.060150 Fe\n0.506031 0.413156 0.934369 P\n0.493969 0.413156 0.434369 P\n0.005148 0.580470 0.579571 P\n0.994852 0.580470 0.079571 P\n0.001413 0.036902 0.630078 C\n0.998587 0.036902 0.130078 C\n0.483499 0.963251 0.858141 C\n0.516501 0.963251 0.358141 C\n0.006997 0.069164 0.991239 O\n0.993003 0.069164 0.491239 O\n0.455515 0.100782 0.753042 O\n0.006113 0.159281 0.657604 O\n0.544485 0.100782 0.253042 O\n0.993887 0.159281 0.157604 O\n0.318711 0.303884 0.939913 O\n0.694492 0.310671 0.932138 O\n0.305508 0.310671 0.432138 O\n0.681289 0.303884 0.439913 O\n0.035875 0.423430 0.720607 O\n0.482688 0.440198 0.572987 O\n0.964125 0.423430 0.220607 O\n0.517312 0.440198 0.072987 O\n0.000977 0.540636 0.944983 O\n0.493206 0.575691 0.796557 O\n0.999023 0.540636 0.444983 O\n0.506794 0.575691 0.296557 O\n0.812488 0.678742 0.578912 O\n0.183147 0.700667 0.559128 O\n0.187512 0.678742 0.078912 O\n0.816853 0.700667 0.059128 O\n0.501550 0.838947 0.829551 O\n0.003946 0.892621 0.734963 O\n0.498450 0.838947 0.329551 O\n0.996054 0.892621 0.234963 O\n0.506953 0.934092 0.496286 O\n0.493047 0.934092 0.996286 O\n",
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"formula_full": "Li10 Fe4 P4 C4 O28",
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{
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