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{
"id": "mp-1281117",
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{
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"structure_string": "Cs20 Fe4 O16\n1.0\n10.894949 0.000000 0.000000\n0.000000 9.110460 0.000000\n0.000000 1.400636 11.233061\nCs Fe O\n20 4 16\ndirect\n0.829822 0.956228 0.530539 Cs\n0.329822 0.043772 0.969461 Cs\n0.170178 0.043772 0.469461 Cs\n0.670178 0.956228 0.030539 Cs\n0.851990 0.267567 0.760628 Cs\n0.351990 0.732433 0.739372 Cs\n0.148010 0.732433 0.239372 Cs\n0.648010 0.267567 0.260628 Cs\n0.691017 0.565081 0.522070 Cs\n0.191017 0.434919 0.977930 Cs\n0.308983 0.434919 0.477930 Cs\n0.808983 0.565081 0.022070 Cs\n0.991155 0.893100 0.859344 Cs\n0.491155 0.106900 0.640656 Cs\n0.008845 0.106900 0.140656 Cs\n0.508845 0.893100 0.359344 Cs\n0.028420 0.601591 0.638694 Cs\n0.528420 0.398409 0.861306 Cs\n0.971580 0.398409 0.361306 Cs\n0.471580 0.601591 0.138694 Cs\n0.667446 0.779269 0.767654 Fe\n0.167446 0.220731 0.732346 Fe\n0.332554 0.220731 0.232346 Fe\n0.832554 0.779269 0.267654 Fe\n0.571769 0.794352 0.620836 O\n0.071769 0.205648 0.879164 O\n0.428231 0.205648 0.379164 O\n0.928231 0.794352 0.120836 O\n0.562021 0.711142 0.903324 O\n0.062021 0.288858 0.596676 O\n0.437979 0.288858 0.096676 O\n0.937979 0.711142 0.403324 O\n0.731236 0.973584 0.783956 O\n0.231236 0.026416 0.716044 O\n0.268764 0.026416 0.216044 O\n0.768764 0.973584 0.283956 O\n0.797854 0.638421 0.755678 O\n0.297854 0.361579 0.744322 O\n0.202146 0.361579 0.244322 O\n0.702146 0.638421 0.255678 O\n",
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"formula_full": "Cs20 Fe4 O16",
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},
{
"id": "mp-1226101",
"created_at": "2022-09-04T14:41:36.660715Z",
"structure_string": "Cs8 Na4 Y1 Ho3 Cl24\n1.0\n25.276007 -3.854689 0.000000\n25.276007 3.854689 0.000000\n24.688152 0.000000 6.650588\nCs Na Y Ho Cl\n8 4 1 3 24\ndirect\n0.812502 0.812502 0.812502 Cs\n0.062513 0.062513 0.062513 Cs\n0.312485 0.312485 0.312485 Cs\n0.562502 0.562502 0.562502 Cs\n0.437498 0.437498 0.437498 Cs\n0.687515 0.687515 0.687515 Cs\n0.937487 0.937487 0.937487 Cs\n0.187498 0.187498 0.187498 Cs\n0.125000 0.125000 0.125000 Na\n0.375011 0.375011 0.375011 Na\n0.624989 0.624989 0.624989 Na\n0.875000 0.875000 0.875000 Na\n0.000000 0.000000 0.000000 Y\n0.249998 0.249998 0.249998 Ho\n0.500000 0.500000 0.500000 Ho\n0.750002 0.750002 0.750002 Ho\n0.801606 0.319037 0.319037 Cl\n0.051571 0.569059 0.569059 Cl\n0.303674 0.817795 0.817795 Cl\n0.551622 0.069028 0.069028 Cl\n0.930972 0.930972 0.448378 Cl\n0.182205 0.182205 0.696326 Cl\n0.430941 0.430941 0.948429 Cl\n0.680963 0.680963 0.198394 Cl\n0.319037 0.801606 0.319037 Cl\n0.569059 0.051571 0.569059 Cl\n0.817795 0.303674 0.817795 Cl\n0.069028 0.551622 0.069028 Cl\n0.448378 0.930972 0.930972 Cl\n0.696326 0.182205 0.182205 Cl\n0.948429 0.430941 0.430941 Cl\n0.198394 0.680963 0.680963 Cl\n0.319037 0.319037 0.801606 Cl\n0.569059 0.569059 0.051571 Cl\n0.817795 0.817795 0.303674 Cl\n0.069028 0.069028 0.551622 Cl\n0.930972 0.448378 0.930972 Cl\n0.182205 0.696326 0.182205 Cl\n0.430941 0.948429 0.430941 Cl\n0.680963 0.198394 0.680963 Cl\n",
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"formula_full": "Cs8 Na4 Y1 Ho3 Cl24",
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{
"id": "mp-1204402",
"created_at": "2022-09-04T14:41:33.790739Z",
"structure_string": "Li4 Al4 C8 N16\n1.0\n5.478713 0.000000 0.000000\n0.000000 6.541741 0.000000\n0.000000 0.000000 9.213995\nLi Al C N\n4 4 8 16\ndirect\n0.750000 0.879320 0.500000 Li\n0.250000 0.620680 0.000000 Li\n0.250000 0.120680 0.500000 Li\n0.750000 0.379320 0.000000 Li\n0.750000 0.379381 0.500000 Al\n0.250000 0.120619 0.000000 Al\n0.250000 0.620619 0.500000 Al\n0.750000 0.879381 0.000000 Al\n0.587974 0.131164 0.753943 C\n0.087974 0.368836 0.746057 C\n0.412026 0.368836 0.253943 C\n0.912026 0.131164 0.246057 C\n0.412026 0.868836 0.246057 C\n0.912026 0.631164 0.253943 C\n0.587974 0.631164 0.746057 C\n0.087974 0.868836 0.753943 C\n0.610158 0.157818 0.624194 N\n0.110158 0.342182 0.875806 N\n0.389842 0.342182 0.124194 N\n0.889842 0.157818 0.375806 N\n0.389842 0.842182 0.375806 N\n0.889842 0.657818 0.124194 N\n0.610158 0.657818 0.875806 N\n0.110158 0.842182 0.624194 N\n0.563893 0.099496 0.886607 N\n0.063893 0.400504 0.613393 N\n0.436107 0.400504 0.386607 N\n0.936107 0.099496 0.113393 N\n0.436107 0.900504 0.113393 N\n0.936107 0.599496 0.386607 N\n0.563893 0.599496 0.613393 N\n0.063893 0.900504 0.886607 N\n",
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],
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"formula_full": "Li4 Al4 C8 N16",
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},
{
"id": "mp-1228925",
"created_at": "2022-09-04T14:41:36.962050Z",
"structure_string": "Al1 Cd1 Sb1 Te1\n1.0\n7.584638 -2.258870 0.000000\n7.584638 2.258870 0.000000\n6.911898 0.000000 3.854205\nAl Cd Sb Te\n1 1 1 1\ndirect\n0.498666 0.498666 0.498666 Al\n0.003876 0.003876 0.003876 Cd\n0.129300 0.129300 0.129300 Sb\n0.618157 0.618157 0.618157 Te\n",
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},
{
"id": "mp-1239240",
"created_at": "2022-09-04T14:41:45.185715Z",
"structure_string": "H24 Pb4 C4 Br12 N4\n1.0\n0.000000 0.000000 8.421670\n8.547002 0.000000 0.000000\n0.000000 12.183993 0.000000\nH Pb C Br N\n24 4 4 12 4\ndirect\n0.891154 0.081551 0.181919 H\n0.108846 0.918449 0.818081 H\n0.391154 0.418449 0.818081 H\n0.608846 0.581551 0.181919 H\n0.608846 0.581551 0.318081 H\n0.391154 0.418449 0.681919 H\n0.108846 0.918449 0.681919 H\n0.891154 0.081551 0.318081 H\n0.882720 0.092255 0.675857 H\n0.117280 0.907745 0.324143 H\n0.382720 0.407745 0.324143 H\n0.617280 0.592255 0.675857 H\n0.617280 0.592255 0.824143 H\n0.382720 0.407745 0.175857 H\n0.117280 0.907745 0.175857 H\n0.882720 0.092255 0.824143 H\n0.041603 0.162237 0.250000 H\n0.958397 0.837763 0.750000 H\n0.541603 0.337763 0.750000 H\n0.458397 0.662237 0.250000 H\n0.046205 0.176203 0.750000 H\n0.953795 0.823797 0.250000 H\n0.546205 0.323797 0.250000 H\n0.453795 0.676203 0.750000 H\n0.500000 0.000000 0.000000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.500000 Pb\n0.955571 0.084587 0.750000 C\n0.044429 0.915413 0.250000 C\n0.455571 0.415413 0.250000 C\n0.544429 0.584587 0.750000 C\n0.199024 0.200471 0.017571 Br\n0.800976 0.799529 0.982429 Br\n0.699024 0.299529 0.982429 Br\n0.300976 0.700471 0.017571 Br\n0.300976 0.700471 0.482429 Br\n0.699024 0.299529 0.517571 Br\n0.800976 0.799529 0.517571 Br\n0.199024 0.200471 0.482429 Br\n0.438707 0.024261 0.750000 Br\n0.561293 0.975739 0.250000 Br\n0.938707 0.475739 0.250000 Br\n0.061293 0.524261 0.750000 Br\n0.963051 0.069951 0.250000 N\n0.036949 0.930049 0.750000 N\n0.463051 0.430049 0.750000 N\n0.536949 0.569951 0.250000 N\n",
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{
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"structure_string": "Fe12 O8 F8\n1.0\n6.444754 0.000000 0.000000\n0.000000 6.399067 0.000000\n0.000000 0.012997 8.594867\nFe O F\n12 8 8\ndirect\n0.752148 0.749927 0.819061 Fe\n0.247852 0.749927 0.819061 Fe\n0.000000 0.249774 0.779428 Fe\n0.500000 0.249878 0.769594 Fe\n0.752568 0.000057 0.499917 Fe\n0.752482 0.499841 0.499698 Fe\n0.247432 0.000057 0.499917 Fe\n0.247518 0.499841 0.499698 Fe\n0.500000 0.750087 0.221011 Fe\n0.000000 0.750076 0.221102 Fe\n0.254405 0.251297 0.180725 Fe\n0.745595 0.251297 0.180725 Fe\n0.251200 0.467996 0.730206 O\n0.255818 0.033750 0.729893 O\n0.744182 0.033750 0.729893 O\n0.748800 0.467996 0.730206 O\n0.754274 0.966257 0.271162 O\n0.245726 0.966257 0.271162 O\n0.752232 0.532319 0.270776 O\n0.247768 0.532319 0.270776 O\n0.500000 0.744249 0.981735 F\n0.000000 0.755633 0.981017 F\n0.000000 0.749836 0.512852 F\n0.500000 0.750030 0.511765 F\n0.500000 0.250132 0.486259 F\n0.000000 0.249932 0.492083 F\n0.500000 0.244067 0.021886 F\n0.000000 0.256735 0.018372 F\n",
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{
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"structure_string": "Li8 V12 Sn4 O32\n1.0\n8.612095 0.000000 0.000000\n0.000000 8.612095 0.000000\n0.000000 0.000000 8.600184\nLi V Sn O\n8 12 4 32\ndirect\n0.504710 0.255581 0.628060 Li\n0.744419 0.495290 0.871940 Li\n0.255581 0.504710 0.371940 Li\n0.495290 0.744419 0.128060 Li\n0.995290 0.755581 0.621940 Li\n0.755581 0.995290 0.378060 Li\n0.244419 0.004710 0.878060 Li\n0.004710 0.244419 0.121940 Li\n0.632771 0.367229 0.250000 V\n0.882677 0.373927 0.491704 V\n0.126073 0.382677 0.741704 V\n0.873927 0.617323 0.241704 V\n0.117323 0.626073 0.991704 V\n0.367229 0.632771 0.750000 V\n0.867229 0.867229 0.000000 V\n0.617323 0.873927 0.758296 V\n0.373927 0.882677 0.508296 V\n0.626073 0.117323 0.008296 V\n0.382677 0.126073 0.258296 V\n0.132771 0.132771 0.500000 V\n0.375009 0.375009 0.000000 Sn\n0.624991 0.624991 0.500000 Sn\n0.124991 0.875009 0.250000 Sn\n0.875009 0.124991 0.750000 Sn\n0.618754 0.357674 0.017039 O\n0.399225 0.369733 0.243856 O\n0.120290 0.356323 0.504668 O\n0.642326 0.381246 0.482961 O\n0.885047 0.368833 0.728132 O\n0.856323 0.379710 0.254668 O\n0.131167 0.385047 0.978132 O\n0.369733 0.399225 0.756144 O\n0.630267 0.600775 0.256144 O\n0.868833 0.614953 0.478132 O\n0.143677 0.620290 0.754668 O\n0.114953 0.631167 0.228132 O\n0.357674 0.618754 0.982961 O\n0.879710 0.643677 0.004668 O\n0.600775 0.630267 0.743856 O\n0.381246 0.642326 0.517039 O\n0.881246 0.857674 0.232961 O\n0.100775 0.869733 0.006144 O\n0.379710 0.856323 0.745332 O\n0.857674 0.881246 0.767039 O\n0.614953 0.868833 0.521868 O\n0.643677 0.879710 0.995332 O\n0.368833 0.885047 0.271868 O\n0.130267 0.899225 0.493856 O\n0.869733 0.100775 0.993856 O\n0.631167 0.114953 0.771868 O\n0.356323 0.120290 0.495332 O\n0.385047 0.131167 0.021868 O\n0.142326 0.118754 0.267039 O\n0.620290 0.143677 0.245332 O\n0.899225 0.130267 0.506144 O\n0.118754 0.142326 0.732961 O\n",
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