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{
"id": "mp-1195676",
"created_at": "2022-09-04T14:45:54.960962Z",
"structure_string": "Li4 Cu4 S4 O16 F4\n1.0\n3.080273 6.517849 0.000000\n-3.080273 6.517849 0.000000\n0.000000 4.514941 9.134256\nLi Cu S O F\n4 4 4 16 4\ndirect\n0.215189 0.696146 0.493983 Li\n0.303854 0.784811 0.006017 Li\n0.784811 0.303854 0.506017 Li\n0.696146 0.215189 0.993983 Li\n0.744592 0.540521 0.166875 Cu\n0.459479 0.255408 0.333125 Cu\n0.255408 0.459479 0.833125 Cu\n0.540521 0.744592 0.666875 Cu\n0.919428 0.738608 0.292831 S\n0.261392 0.080572 0.207169 S\n0.080572 0.261392 0.707169 S\n0.738608 0.919428 0.792831 S\n0.837735 0.585893 0.302688 O\n0.414107 0.162265 0.197312 O\n0.162265 0.414107 0.697312 O\n0.585893 0.837735 0.802688 O\n0.141732 0.575600 0.359198 O\n0.424400 0.858268 0.140802 O\n0.858268 0.424400 0.640802 O\n0.575600 0.141732 0.859198 O\n0.084361 0.271204 0.107192 O\n0.728796 0.915639 0.392808 O\n0.915639 0.728796 0.892808 O\n0.271204 0.084361 0.607192 O\n0.966717 0.861838 0.142324 O\n0.138162 0.033283 0.357676 O\n0.033283 0.138162 0.857676 O\n0.861838 0.966717 0.642324 O\n0.618569 0.433555 0.100448 F\n0.566445 0.381431 0.399552 F\n0.381431 0.566445 0.899552 F\n0.433555 0.618569 0.600448 F\n",
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{
"id": "mp-753635",
"created_at": "2022-09-04T14:45:54.898970Z",
"structure_string": "Li4 V2 Cr3 Co3 O16\n1.0\n2.914303 5.042233 0.000000\n-2.914303 5.042233 0.000000\n0.000000 0.045444 9.303967\nLi V Cr Co O\n4 2 3 3 16\ndirect\n0.330906 0.330906 0.106516 Li\n0.005677 0.005677 0.007668 Li\n0.005327 0.005327 0.502269 Li\n0.664214 0.664214 0.600700 Li\n0.333432 0.333432 0.501694 V\n0.666852 0.666852 0.006799 V\n0.656032 0.171482 0.785131 Cr\n0.171482 0.656032 0.785131 Cr\n0.828243 0.828243 0.284302 Cr\n0.172942 0.172942 0.781890 Co\n0.827845 0.345052 0.284987 Co\n0.345052 0.827845 0.284987 Co\n0.653785 0.176217 0.406943 O\n0.477267 0.477267 0.653417 O\n0.331578 0.331578 0.899346 O\n0.001460 0.001460 0.691392 O\n0.005811 0.005811 0.194998 O\n0.176217 0.653785 0.406943 O\n0.477975 0.040966 0.652139 O\n0.040966 0.477975 0.652139 O\n0.827647 0.827647 0.911891 O\n0.174950 0.174950 0.402055 O\n0.953215 0.514784 0.157054 O\n0.514784 0.953215 0.157054 O\n0.660955 0.660955 0.390989 O\n0.821679 0.349908 0.909685 O\n0.522909 0.522909 0.164429 O\n0.349908 0.821679 0.909685 O\n",
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"formula_full": "Li4 V2 Cr3 Co3 O16",
"formula_reduced": "Li4V2Cr3Co3O16",
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},
{
"id": "mp-542085",
"created_at": "2022-09-04T14:45:54.918159Z",
"structure_string": "Sr8 Ge4 O16\n1.0\n7.294689 0.000000 0.000000\n0.000000 5.918281 0.000000\n0.000000 5.130876 10.022510\nSr Ge O\n8 4 16\ndirect\n0.345252 0.298300 0.430984 Sr\n0.845252 0.701700 0.069016 Sr\n0.654748 0.701700 0.569016 Sr\n0.154748 0.298300 0.930984 Sr\n0.994891 0.020311 0.700340 Sr\n0.494891 0.979689 0.799660 Sr\n0.005109 0.979689 0.299660 Sr\n0.505109 0.020311 0.200340 Sr\n0.783869 0.348739 0.415984 Ge\n0.283869 0.651261 0.084016 Ge\n0.216131 0.651261 0.584016 Ge\n0.716131 0.348739 0.915984 Ge\n0.017808 0.274396 0.443009 O\n0.517808 0.725604 0.056991 O\n0.982192 0.725604 0.556991 O\n0.482192 0.274396 0.943009 O\n0.665964 0.270610 0.570487 O\n0.165964 0.729390 0.929513 O\n0.334036 0.729390 0.429513 O\n0.834036 0.270610 0.070487 O\n0.674106 0.143438 0.360053 O\n0.174106 0.856562 0.139947 O\n0.325894 0.856562 0.639947 O\n0.825894 0.143438 0.860053 O\n0.752100 0.675349 0.303186 O\n0.252100 0.324651 0.196814 O\n0.247900 0.324651 0.696814 O\n0.747900 0.675349 0.803186 O\n",
"nsites": 28,
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"elements": [
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"chemical_system": "Ge-O-Sr",
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"formula_full": "Sr8 Ge4 O16",
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"spacegroup": 14
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{
"id": "mp-1185212",
"created_at": "2022-09-04T14:45:54.921914Z",
"structure_string": "Li1 Cd2 Ni1\n1.0\n0.000000 3.195080 3.195080\n3.195080 0.000000 3.195080\n3.195080 3.195080 0.000000\nLi Cd Ni\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ni\n",
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"formula_full": "Li1 Cd2 Ni1",
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"updated_at": "2021-11-28T01:37:10.227000Z",
"spacegroup": 225
},
{
"id": "mp-1194136",
"created_at": "2022-09-04T14:45:54.929720Z",
"structure_string": "Ti6 Ga16 Co7\n1.0\n0.000000 5.907554 5.907554\n5.907554 0.000000 5.907554\n5.907554 5.907554 0.000000\nTi Ga Co\n6 16 7\ndirect\n0.693455 0.693455 0.306545 Ti\n0.306545 0.693455 0.306545 Ti\n0.693455 0.306545 0.306545 Ti\n0.306545 0.306545 0.693455 Ti\n0.693455 0.306545 0.693455 Ti\n0.306545 0.693455 0.693455 Ti\n0.878776 0.878776 0.363673 Ga\n0.878776 0.363673 0.878776 Ga\n0.363673 0.878776 0.878776 Ga\n0.878776 0.878776 0.878776 Ga\n0.121224 0.121224 0.636327 Ga\n0.121224 0.636327 0.121224 Ga\n0.636327 0.121224 0.121224 Ga\n0.121224 0.121224 0.121224 Ga\n0.654232 0.654232 0.037303 Ga\n0.654232 0.037303 0.654232 Ga\n0.037303 0.654232 0.654232 Ga\n0.654232 0.654232 0.654232 Ga\n0.345768 0.345768 0.962697 Ga\n0.345768 0.962697 0.345768 Ga\n0.962697 0.345768 0.345768 Ga\n0.345768 0.345768 0.345768 Ga\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n",
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"density": 7.310464539511018,
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"formula_full": "Ti6 Ga16 Co7",
"formula_reduced": "Ti6Ga16Co7",
"formula_anonymous": "A6B7C16",
"energy": -156.48620422,
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"spacegroup": 225
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{
"id": "mp-557784",
"created_at": "2022-09-04T14:45:54.982638Z",
"structure_string": "La4 Nb4 Te4 O24\n1.0\n-6.864475 0.000000 0.000000\n-0.029399 -7.501617 0.000000\n2.448486 1.936983 10.443394\nLa Nb Te O\n4 4 4 24\ndirect\n0.239363 0.139308 0.494621 La\n0.330416 0.285116 0.156040 La\n0.760637 0.860692 0.505379 La\n0.669584 0.714884 0.843960 La\n0.183171 0.454078 0.803020 Nb\n0.173349 0.959171 0.800671 Nb\n0.816829 0.545922 0.196980 Nb\n0.826651 0.040829 0.199329 Nb\n0.329717 0.798987 0.201011 Te\n0.735974 0.371259 0.503185 Te\n0.670283 0.201013 0.798989 Te\n0.264026 0.628741 0.496815 Te\n0.499901 0.399966 0.789814 O\n0.910360 0.499711 0.778388 O\n0.856838 0.816094 0.281288 O\n0.393833 0.871049 0.385145 O\n0.534321 0.677462 0.595496 O\n0.755464 0.568519 0.029634 O\n0.850300 0.150763 0.427804 O\n0.817182 0.943647 0.034199 O\n0.892848 0.888704 0.741774 O\n0.143162 0.183906 0.718712 O\n0.606167 0.128951 0.614855 O\n0.149700 0.849237 0.572196 O\n0.494253 0.017581 0.819182 O\n0.089640 0.500289 0.221612 O\n0.465679 0.322538 0.404504 O\n0.244536 0.431481 0.970366 O\n0.500099 0.600034 0.210186 O\n0.505747 0.982419 0.180818 O\n0.287822 0.714066 0.819745 O\n0.712178 0.285934 0.180255 O\n0.182818 0.056353 0.965801 O\n0.181212 0.454276 0.588168 O\n0.818788 0.545724 0.411832 O\n0.107152 0.111296 0.258226 O\n",
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"formula_full": "La4 Nb4 Te4 O24",
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{
"id": "mp-541826",
"created_at": "2022-09-04T14:45:54.983583Z",
"structure_string": "Ti2 Al4 Br16\n1.0\n4.344208 9.531381 0.000000\n-4.344208 9.531381 0.000000\n0.000000 7.826585 9.846375\nTi Al Br\n2 4 16\ndirect\n0.997348 0.002652 0.250000 Ti\n0.002652 0.997348 0.750000 Ti\n0.325676 0.841433 0.471522 Al\n0.158567 0.674324 0.028478 Al\n0.674324 0.158567 0.528478 Al\n0.841433 0.325676 0.971522 Al\n0.618277 0.693971 0.449354 Br\n0.306029 0.381723 0.050646 Br\n0.381723 0.306029 0.550646 Br\n0.693971 0.618277 0.949354 Br\n0.164873 0.130079 0.485025 Br\n0.869921 0.835127 0.014975 Br\n0.835127 0.869921 0.514975 Br\n0.130079 0.164873 0.985025 Br\n0.308267 0.856866 0.283975 Br\n0.143134 0.691733 0.216025 Br\n0.691733 0.143134 0.716025 Br\n0.856866 0.308267 0.783975 Br\n0.164759 0.709375 0.679375 Br\n0.290625 0.835241 0.820625 Br\n0.835241 0.290625 0.320625 Br\n0.709375 0.164759 0.179375 Br\n",
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{
"id": "mp-1174722",
"created_at": "2022-09-04T14:45:55.048161Z",
"structure_string": "Li5 Mn3 O8\n1.0\n2.904210 0.000000 0.000000\n0.000000 5.204361 0.000000\n0.000000 1.883538 9.704590\nLi Mn O\n5 3 8\ndirect\n0.000000 0.225811 0.276242 Li\n0.500000 0.261667 0.731271 Li\n0.000000 0.774189 0.723758 Li\n0.500000 0.738333 0.268729 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.406019 0.885403 O\n0.500000 0.385908 0.389907 O\n0.000000 0.841953 0.381878 O\n0.500000 0.879652 0.891605 O\n0.000000 0.158047 0.618122 O\n0.500000 0.120348 0.108395 O\n0.000000 0.593981 0.114597 O\n0.500000 0.614092 0.610093 O\n",
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"formula_full": "Li5 Mn3 O8",
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{
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"structure_string": "Dy1 Ni1 Bi1\n1.0\n0.000000 3.245858 3.245858\n3.245858 0.000000 3.245858\n3.245858 3.245858 0.000000\nDy Ni Bi\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Ni\n0.750000 0.750000 0.750000 Bi\n",
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{
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}