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{
"id": "mp-1238316",
"created_at": "2022-09-04T14:44:58.400386Z",
"structure_string": "P12 H40 N12 O32\n1.0\n15.876621 0.000000 0.000000\n0.000000 6.919200 0.000000\n0.000000 0.039324 9.949653\nP H N O\n12 40 12 32\ndirect\n0.339898 0.783246 0.205991 P\n0.839898 0.216754 0.294009 P\n0.660102 0.216754 0.794009 P\n0.160102 0.783246 0.705991 P\n0.185724 0.037676 0.244487 P\n0.685724 0.962324 0.255513 P\n0.814276 0.962324 0.755513 P\n0.314276 0.037676 0.744487 P\n0.170806 0.609445 0.216919 P\n0.670806 0.390555 0.283081 P\n0.829194 0.390555 0.783081 P\n0.329194 0.609445 0.716919 P\n0.503001 0.415329 0.364040 H\n0.003001 0.584671 0.135960 H\n0.496999 0.584671 0.635960 H\n0.996999 0.415329 0.864040 H\n0.076036 0.837855 0.299289 H\n0.576036 0.162145 0.200711 H\n0.923964 0.162145 0.700711 H\n0.423964 0.837855 0.799289 H\n0.141798 0.270988 0.109181 H\n0.641798 0.729012 0.390819 H\n0.858202 0.729012 0.890819 H\n0.358202 0.270988 0.609181 H\n0.177032 0.361480 0.360850 H\n0.677032 0.638520 0.139150 H\n0.822968 0.638520 0.639150 H\n0.322968 0.361480 0.860850 H\n0.449938 0.053759 0.104978 H\n0.949938 0.946241 0.395022 H\n0.550062 0.946241 0.895022 H\n0.050062 0.053759 0.604978 H\n0.265410 0.621184 0.038376 H\n0.765410 0.378816 0.461624 H\n0.734590 0.378816 0.961624 H\n0.234590 0.621184 0.538376 H\n0.316628 0.060911 0.330056 H\n0.816628 0.939089 0.169944 H\n0.683372 0.939089 0.669944 H\n0.183372 0.060911 0.830056 H\n0.452215 0.320294 0.244959 H\n0.952215 0.679706 0.255041 H\n0.547785 0.679706 0.755041 H\n0.047785 0.320294 0.744959 H\n0.504999 0.206985 0.023914 H\n0.004999 0.793015 0.476086 H\n0.495001 0.793015 0.976086 H\n0.995001 0.206985 0.523914 H\n0.400827 0.554540 0.335631 H\n0.900827 0.445460 0.164369 H\n0.599173 0.445460 0.664369 H\n0.099173 0.554540 0.835631 H\n0.262448 0.650274 0.139388 N\n0.762448 0.349726 0.360612 N\n0.737552 0.349726 0.860612 N\n0.237552 0.650274 0.639388 N\n0.134400 0.829423 0.248798 N\n0.634400 0.170577 0.251202 N\n0.865600 0.170577 0.751202 N\n0.365600 0.829423 0.748798 N\n0.288269 0.983860 0.254791 N\n0.788269 0.016140 0.245209 N\n0.711731 0.016140 0.745209 N\n0.211731 0.983860 0.754791 N\n0.366995 0.690547 0.341320 O\n0.866995 0.309453 0.158680 O\n0.633005 0.309453 0.658680 O\n0.133005 0.690547 0.841320 O\n0.167235 0.134408 0.104075 O\n0.667235 0.865592 0.395925 O\n0.832765 0.865592 0.895925 O\n0.332765 0.134408 0.604075 O\n0.113257 0.490880 0.129724 O\n0.613257 0.509120 0.370276 O\n0.886743 0.509120 0.870276 O\n0.386743 0.490880 0.629724 O\n0.161711 0.163116 0.361250 O\n0.661711 0.836884 0.138750 O\n0.838289 0.836884 0.638750 O\n0.338289 0.163116 0.861250 O\n0.187612 0.515246 0.357631 O\n0.687612 0.484754 0.142369 O\n0.812388 0.484754 0.642369 O\n0.312388 0.515246 0.857631 O\n0.445183 0.380350 0.335506 O\n0.945183 0.619650 0.164494 O\n0.554817 0.619650 0.664494 O\n0.054817 0.380350 0.835506 O\n0.408223 0.820706 0.106046 O\n0.908223 0.179294 0.393954 O\n0.591777 0.179294 0.893954 O\n0.091777 0.820706 0.606046 O\n0.481422 0.177876 0.113197 O\n0.981422 0.822124 0.386803 O\n0.518578 0.822124 0.886803 O\n0.018578 0.177876 0.613197 O\n",
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],
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"volume_molar": 6.856485561348824,
"formula_full": "P12 H40 N12 O32",
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"updated_at": "2021-11-28T01:36:45.637000Z",
"spacegroup": 14
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{
"id": "mp-31969",
"created_at": "2022-09-04T14:44:58.404747Z",
"structure_string": "Li12 Mn8 P12 O48\n1.0\n8.723464 0.000000 0.000000\n0.000000 8.504265 0.000000\n0.000000 7.839794 12.190815\nLi Mn P O\n12 8 12 48\ndirect\n0.012983 0.717753 0.843201 Li\n0.215339 0.001676 0.175746 Li\n0.987017 0.282247 0.156799 Li\n0.284661 0.001676 0.675746 Li\n0.084401 0.604516 0.311986 Li\n0.584401 0.395484 0.188014 Li\n0.487017 0.717753 0.343201 Li\n0.715339 0.998324 0.324254 Li\n0.512983 0.282247 0.656799 Li\n0.784661 0.998324 0.824254 Li\n0.915599 0.395484 0.688014 Li\n0.415599 0.604516 0.811986 Li\n0.963941 0.138877 0.607904 Mn\n0.968112 0.348180 0.896960 Mn\n0.531888 0.348180 0.396960 Mn\n0.036059 0.861123 0.392096 Mn\n0.468112 0.651820 0.603040 Mn\n0.031888 0.651820 0.103040 Mn\n0.463941 0.861123 0.892096 Mn\n0.536059 0.138877 0.107904 Mn\n0.610535 0.962375 0.652345 P\n0.879018 0.263103 0.352004 P\n0.249958 0.443050 0.009793 P\n0.110535 0.037625 0.847655 P\n0.250042 0.443050 0.509793 P\n0.889465 0.962375 0.152345 P\n0.620982 0.263103 0.852004 P\n0.389465 0.037625 0.347655 P\n0.750042 0.556950 0.990207 P\n0.749958 0.556950 0.490207 P\n0.379018 0.736897 0.147996 P\n0.120982 0.736897 0.647996 P\n0.319687 0.244322 0.062555 O\n0.199426 0.710068 0.167746 O\n0.272396 0.018120 0.810070 O\n0.108592 0.161599 0.894442 O\n0.180313 0.244322 0.562555 O\n0.134330 0.475898 0.918234 O\n0.166402 0.454767 0.100614 O\n0.998693 0.133689 0.744380 O\n0.593592 0.156557 0.976713 O\n0.498693 0.866311 0.755620 O\n0.501307 0.133689 0.244380 O\n0.631162 0.403315 0.054024 O\n0.772396 0.981880 0.689930 O\n0.666402 0.545233 0.399386 O\n0.699426 0.289932 0.332254 O\n0.084792 0.867648 0.689848 O\n0.468719 0.555052 0.213420 O\n0.041818 0.840510 0.925610 O\n0.458182 0.840510 0.425610 O\n0.584792 0.132352 0.810152 O\n0.968719 0.444948 0.286580 O\n0.333598 0.454767 0.600614 O\n0.833598 0.545233 0.899386 O\n0.131162 0.596685 0.445976 O\n0.391408 0.161599 0.394442 O\n0.680313 0.755678 0.937445 O\n0.727604 0.981880 0.189930 O\n0.906408 0.156557 0.476713 O\n0.001307 0.866311 0.255620 O\n0.865670 0.524102 0.081766 O\n0.031281 0.555052 0.713420 O\n0.541818 0.159490 0.574390 O\n0.415208 0.867648 0.189848 O\n0.300574 0.710068 0.667746 O\n0.368838 0.596685 0.945976 O\n0.634330 0.524102 0.581766 O\n0.891408 0.838401 0.105558 O\n0.868838 0.403315 0.554024 O\n0.227604 0.018120 0.310070 O\n0.093592 0.843443 0.523287 O\n0.531281 0.444948 0.786580 O\n0.819687 0.755678 0.437445 O\n0.958182 0.159490 0.074390 O\n0.608592 0.838401 0.605558 O\n0.915208 0.132352 0.310152 O\n0.800574 0.289932 0.832254 O\n0.365670 0.475898 0.418234 O\n0.406408 0.843443 0.023287 O\n",
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"formula_full": "Li12 Mn8 P12 O48",
"formula_reduced": "Li3Mn2(PO4)3",
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{
"id": "mp-1176598",
"created_at": "2022-09-04T14:44:58.446648Z",
"structure_string": "Li4 Mn4 Sn4 O16\n1.0\n5.948890 0.000000 0.000000\n0.000000 5.948890 0.000000\n0.000000 0.000000 9.220735\nLi Mn Sn O\n4 4 4 16\ndirect\n0.000000 0.233147 0.000000 Li\n0.000000 0.766853 0.500000 Li\n0.233147 0.000000 0.250000 Li\n0.766853 0.000000 0.750000 Li\n0.237498 0.500000 0.250000 Mn\n0.500000 0.237498 0.000000 Mn\n0.500000 0.762502 0.500000 Mn\n0.762502 0.500000 0.750000 Mn\n0.260318 0.260318 0.625000 Sn\n0.260318 0.739682 0.875000 Sn\n0.739682 0.260318 0.375000 Sn\n0.739682 0.739682 0.125000 Sn\n0.013424 0.261287 0.251707 O\n0.013424 0.738713 0.248293 O\n0.261287 0.013424 0.998293 O\n0.261287 0.986576 0.501707 O\n0.262055 0.473323 0.007715 O\n0.262055 0.526677 0.492285 O\n0.473323 0.262055 0.242285 O\n0.473323 0.737945 0.257715 O\n0.526677 0.262055 0.757715 O\n0.526677 0.737945 0.742285 O\n0.737945 0.526677 0.507715 O\n0.737945 0.473323 0.992285 O\n0.738713 0.013424 0.001707 O\n0.738713 0.986576 0.498293 O\n0.986576 0.261287 0.748293 O\n0.986576 0.738713 0.751707 O\n",
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"formula_full": "Li4 Mn4 Sn4 O16",
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{
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"structure_string": "K4 Eu8 Cu4 S24\n1.0\n0.000000 5.410419 21.319162\n4.131197 0.000000 21.319162\n4.131197 5.410419 0.000000\nK Eu Cu S\n4 8 4 24\ndirect\n0.998974 0.501026 0.998974 K\n0.501026 0.998974 0.501026 K\n0.748974 0.251026 0.748974 K\n0.251026 0.748974 0.251026 K\n0.340656 0.340656 0.159344 Eu\n0.909344 0.909344 0.090656 Eu\n0.593207 0.593207 0.406793 Eu\n0.843207 0.843207 0.656793 Eu\n0.090656 0.090656 0.909344 Eu\n0.159344 0.159344 0.340656 Eu\n0.406793 0.406793 0.593207 Eu\n0.656793 0.656793 0.843207 Eu\n0.834346 0.834346 0.165654 Cu\n0.084346 0.084346 0.415654 Cu\n0.415654 0.415654 0.084346 Cu\n0.165654 0.165654 0.834346 Cu\n0.375880 0.904198 0.627189 S\n0.640926 0.949293 0.052536 S\n0.904198 0.375880 0.092733 S\n0.892756 0.197464 0.300707 S\n0.052536 0.357244 0.640926 S\n0.111008 0.785432 0.704124 S\n0.704124 0.399435 0.111008 S\n0.609074 0.300707 0.197464 S\n0.357244 0.052536 0.949293 S\n0.622811 0.157267 0.874120 S\n0.464568 0.138992 0.850565 S\n0.545876 0.850565 0.138992 S\n0.092733 0.627189 0.904198 S\n0.399435 0.704124 0.785432 S\n0.785432 0.111008 0.399435 S\n0.874120 0.345802 0.622811 S\n0.627189 0.092733 0.375880 S\n0.949293 0.640926 0.357244 S\n0.345802 0.874120 0.157267 S\n0.138992 0.464568 0.545876 S\n0.197464 0.892756 0.609074 S\n0.300707 0.609074 0.892756 S\n0.850565 0.545876 0.464568 S\n0.157267 0.622811 0.345802 S\n",
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{
"id": "mp-1147635",
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"structure_string": "K2 Cd2 Cu1 S2 O2\n1.0\n4.063469 0.000000 -0.896449\n-0.197767 4.058654 -0.896449\n0.608737 0.639121 12.417084\nK Cd Cu S O\n2 2 1 2 2\ndirect\n0.568526 0.568526 0.137051 K\n0.431474 0.431474 0.862949 K\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.817611 0.817611 0.635221 S\n0.182389 0.182389 0.364779 S\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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{
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