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{
"id": "mp-769550",
"created_at": "2022-09-04T14:39:12.582607Z",
"structure_string": "Li4 Mn10 Fe4 O24\n1.0\n4.226096 4.229947 0.000000\n-4.226096 4.229947 0.000000\n0.000000 4.174491 13.043167\nLi Mn Fe O\n4 10 4 24\ndirect\n0.036832 0.293364 0.914769 Li\n0.628613 0.362361 0.754078 Li\n0.293364 0.036832 0.414769 Li\n0.362361 0.628613 0.254078 Li\n0.492822 0.499652 0.003670 Mn\n0.334867 0.834378 0.832358 Mn\n0.833267 0.834442 0.833653 Mn\n0.167406 0.168931 0.661556 Mn\n0.170696 0.661994 0.663989 Mn\n0.499652 0.492822 0.503670 Mn\n0.834442 0.833267 0.333653 Mn\n0.834378 0.334867 0.332358 Mn\n0.661994 0.170696 0.163989 Mn\n0.168931 0.167406 0.161556 Mn\n0.499020 0.007338 0.001287 Fe\n0.706477 0.966473 0.583574 Fe\n0.007338 0.499020 0.501287 Fe\n0.966473 0.706477 0.083574 Fe\n0.747293 0.770190 0.003602 O\n0.271473 0.743398 0.001266 O\n0.575503 0.047018 0.846486 O\n0.578120 0.607760 0.847694 O\n0.095206 0.063860 0.814186 O\n0.091962 0.622889 0.816653 O\n0.390085 0.917224 0.661305 O\n0.924317 0.940868 0.666208 O\n0.406647 0.386378 0.655293 O\n0.956856 0.413798 0.661754 O\n0.224679 0.246405 0.513823 O\n0.257805 0.710251 0.512212 O\n0.770190 0.747293 0.503602 O\n0.743398 0.271473 0.501266 O\n0.047018 0.575503 0.346486 O\n0.607760 0.578120 0.347694 O\n0.622889 0.091962 0.316653 O\n0.063860 0.095206 0.314186 O\n0.917224 0.390085 0.161305 O\n0.940868 0.924317 0.166208 O\n0.386378 0.406647 0.155293 O\n0.413798 0.956856 0.161754 O\n0.710251 0.257805 0.012212 O\n0.246405 0.224679 0.013823 O\n",
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"volume": 466.3235350981868,
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"formula_full": "Li4 Mn10 Fe4 O24",
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{
"id": "mp-1025123",
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"structure_string": "U1 Ni2 B2 C1\n1.0\n-1.742525 1.742525 5.278352\n1.742525 -1.742525 5.278352\n1.742525 1.742525 -5.278352\nU Ni B C\n1 2 2 1\ndirect\n0.500000 0.500000 0.000000 U\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.142945 0.142945 0.000000 B\n0.857055 0.857055 0.000000 B\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-756511",
"created_at": "2022-09-04T14:42:45.459951Z",
"structure_string": "Li4 V4 B4 O16\n1.0\n3.113953 0.000000 0.000000\n0.000000 9.087917 0.000000\n0.000000 0.000000 9.415044\nLi V B O\n4 4 4 16\ndirect\n0.750000 0.121992 0.934921 Li\n0.250000 0.378008 0.434921 Li\n0.750000 0.621992 0.565079 Li\n0.250000 0.878008 0.065079 Li\n0.750000 0.107569 0.290886 V\n0.250000 0.392431 0.790886 V\n0.750000 0.607569 0.209114 V\n0.250000 0.892431 0.709114 V\n0.750000 0.165044 0.614568 B\n0.250000 0.334956 0.114568 B\n0.750000 0.665044 0.885432 B\n0.250000 0.834956 0.385432 B\n0.750000 0.025213 0.130679 O\n0.750000 0.011277 0.632427 O\n0.750000 0.225644 0.484522 O\n0.750000 0.248688 0.741321 O\n0.250000 0.251312 0.241321 O\n0.250000 0.274356 0.984522 O\n0.250000 0.488723 0.132427 O\n0.250000 0.474787 0.630679 O\n0.750000 0.525213 0.369321 O\n0.750000 0.511277 0.867573 O\n0.750000 0.725644 0.015478 O\n0.750000 0.748688 0.758679 O\n0.250000 0.751312 0.258679 O\n0.250000 0.774356 0.515478 O\n0.250000 0.988723 0.367573 O\n0.250000 0.974787 0.869321 O\n",
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"spacegroup": 62
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{
"id": "mp-1365117",
"created_at": "2022-09-04T14:40:55.231918Z",
"structure_string": "V4 P8 O28\n1.0\n-6.367378 0.000000 0.000000\n2.686023 9.092135 0.000000\n-0.845742 -4.475635 -9.567451\nV P O\n4 8 28\ndirect\n0.627333 0.501858 0.242487 V\n0.372667 0.498142 0.757513 V\n0.730647 0.094479 0.221563 V\n0.269353 0.905521 0.778437 V\n0.944570 0.816634 0.219906 P\n0.309601 0.797725 0.033859 P\n0.891315 0.550148 0.698864 P\n0.108685 0.449852 0.301136 P\n0.055430 0.183366 0.780094 P\n0.407943 0.678616 0.538984 P\n0.690399 0.202275 0.966141 P\n0.592057 0.321384 0.461016 P\n0.190633 0.543958 0.458718 O\n0.925303 0.262482 0.913771 O\n0.065442 0.882713 0.354318 O\n0.426731 0.671591 0.682042 O\n0.125458 0.053604 0.817287 O\n0.727679 0.671935 0.195616 O\n0.730939 0.105614 0.051479 O\n0.941416 0.511846 0.265780 O\n0.641421 0.148494 0.408137 O\n0.597454 0.650861 0.444776 O\n0.682996 0.529800 0.780323 O\n0.453514 0.919532 0.162417 O\n0.317004 0.470200 0.219677 O\n0.989827 0.725385 0.718590 O\n0.272321 0.328065 0.804384 O\n0.809367 0.456042 0.541282 O\n0.932934 0.103000 0.641485 O\n0.269061 0.894386 0.948521 O\n0.358579 0.851506 0.591863 O\n0.074697 0.737518 0.086229 O\n0.010173 0.274615 0.281410 O\n0.393557 0.652751 0.942165 O\n0.606443 0.347249 0.057835 O\n0.874542 0.946396 0.182713 O\n0.055081 0.475727 0.725710 O\n0.402546 0.349139 0.555224 O\n0.573269 0.328409 0.317958 O\n0.551093 0.067612 0.833224 O\n",
"nsites": 40,
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"formula_full": "V4 P8 O28",
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{
"id": "mp-760061",
"created_at": "2022-09-04T14:41:49.798419Z",
"structure_string": "Na2 Mn16 O32\n1.0\n5.924289 0.000000 0.000000\n0.000000 8.379962 0.000000\n0.000000 0.000000 11.858287\nNa Mn O\n2 16 32\ndirect\n0.500000 0.374255 0.000000 Na\n0.000000 0.625745 0.500000 Na\n0.247291 0.995087 0.000000 Mn\n0.252709 0.004913 0.500000 Mn\n0.752709 0.995087 0.000000 Mn\n0.747291 0.004913 0.500000 Mn\n0.000000 0.245174 0.373788 Mn\n0.000000 0.245293 0.872617 Mn\n0.000000 0.245293 0.127383 Mn\n0.000000 0.245174 0.626212 Mn\n0.750000 0.500000 0.750000 Mn\n0.250000 0.500000 0.250000 Mn\n0.750000 0.500000 0.250000 Mn\n0.250000 0.500000 0.750000 Mn\n0.500000 0.754826 0.873788 Mn\n0.500000 0.754826 0.126212 Mn\n0.500000 0.754707 0.627383 Mn\n0.500000 0.754707 0.372617 Mn\n0.000000 0.015344 0.392116 O\n0.000000 0.010672 0.891042 O\n0.000000 0.010672 0.108958 O\n0.000000 0.015344 0.607884 O\n0.784328 0.235101 0.500000 O\n0.788488 0.226125 0.000000 O\n0.215672 0.235101 0.500000 O\n0.211512 0.226125 0.000000 O\n0.781443 0.263989 0.248703 O\n0.218557 0.263989 0.751297 O\n0.781443 0.263989 0.751297 O\n0.218557 0.263989 0.248703 O\n0.000000 0.478087 0.644299 O\n0.000000 0.478087 0.355701 O\n0.000000 0.480076 0.140298 O\n0.000000 0.480076 0.859702 O\n0.500000 0.521913 0.855701 O\n0.500000 0.519924 0.359702 O\n0.500000 0.521913 0.144299 O\n0.500000 0.519924 0.640298 O\n0.281443 0.736011 0.251297 O\n0.718557 0.736011 0.748703 O\n0.281443 0.736011 0.748703 O\n0.718557 0.736011 0.251297 O\n0.288488 0.773875 0.500000 O\n0.284328 0.764899 0.000000 O\n0.715672 0.764899 0.000000 O\n0.711512 0.773875 0.500000 O\n0.500000 0.984656 0.892116 O\n0.500000 0.984656 0.107884 O\n0.500000 0.989328 0.608958 O\n0.500000 0.989328 0.391042 O\n",
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{
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"structure_string": "Ba2 Na2 Y2 B4 O12\n1.0\n12.199854 -2.710808 0.000000\n12.199854 2.710808 0.000000\n11.597513 0.000000 4.656460\nBa Na Y B O\n2 2 2 4 12\ndirect\n0.898200 0.898200 0.898200 Ba\n0.101800 0.101800 0.101800 Ba\n0.614736 0.614736 0.614736 Na\n0.385264 0.385264 0.385264 Na\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.293329 0.293329 0.293329 B\n0.706671 0.706671 0.706671 B\n0.206017 0.206017 0.206017 B\n0.793983 0.793983 0.793983 B\n0.159291 0.131259 0.589470 O\n0.589470 0.159291 0.131259 O\n0.131259 0.589470 0.159291 O\n0.840709 0.868741 0.410530 O\n0.410530 0.840709 0.868741 O\n0.868741 0.410530 0.840709 O\n0.353671 0.354069 0.910728 O\n0.910728 0.353671 0.354069 O\n0.354069 0.910728 0.353671 O\n0.646329 0.645931 0.089272 O\n0.089272 0.646329 0.645931 O\n0.645931 0.089272 0.646329 O\n",
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{
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"structure_string": "U2 Sb1 Te1\n1.0\n6.815034 -2.261003 0.000000\n6.815034 2.261003 0.000000\n6.064908 0.000000 3.843660\nU Sb Te\n2 1 1\ndirect\n0.250448 0.250448 0.250448 U\n0.749552 0.749552 0.749552 U\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Te\n",
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{
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"structure_string": "Li2 V5 Ni1 O12\n1.0\n6.780625 -0.070270 -0.051694\n-0.791940 6.734585 0.051694\n-1.468343 1.319483 5.427024\nLi V Ni O\n2 5 1 12\ndirect\n0.244480 0.244480 0.250000 Li\n0.744626 0.744626 0.750000 Li\n0.083559 0.083559 0.750000 V\n0.202000 0.608071 0.767868 V\n0.392368 0.801726 0.262530 V\n0.608071 0.202000 0.732132 V\n0.801726 0.392368 0.237470 V\n0.908463 0.908463 0.250000 Ni\n0.020878 0.797387 0.660027 O\n0.098410 0.357385 0.809395 O\n0.201630 0.981796 0.135735 O\n0.375774 0.658960 0.567936 O\n0.357385 0.098410 0.690605 O\n0.353310 0.624487 0.067467 O\n0.658960 0.375774 0.932064 O\n0.635934 0.908755 0.307541 O\n0.624487 0.353310 0.432533 O\n0.797387 0.020878 0.839973 O\n0.908755 0.635934 0.192459 O\n0.981796 0.201630 0.364265 O\n",
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{
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{
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{
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{
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