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{
"id": "mp-1105931",
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{
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"structure_string": "K4 Ni12 As12 O44\n1.0\n9.843191 0.000000 0.000000\n0.000000 10.256040 0.000000\n0.000000 5.173626 9.039779\nK Ni As O\n4 12 12 44\ndirect\n0.767381 0.409139 0.089958 K\n0.732619 0.409139 0.589958 K\n0.232619 0.590861 0.910042 K\n0.267381 0.590861 0.410042 K\n0.367842 0.087712 0.236513 Ni\n0.636985 0.738163 0.118511 Ni\n0.871059 0.091106 0.900595 Ni\n0.371059 0.908894 0.599405 Ni\n0.363015 0.261837 0.881489 Ni\n0.628941 0.091106 0.400595 Ni\n0.867842 0.912288 0.263487 Ni\n0.632158 0.912288 0.763487 Ni\n0.132158 0.087712 0.736513 Ni\n0.863015 0.738163 0.618511 Ni\n0.136985 0.261837 0.381489 Ni\n0.128941 0.908894 0.099405 Ni\n0.342902 0.901465 0.931538 As\n0.426185 0.228406 0.585615 As\n0.443231 0.407140 0.240700 As\n0.943231 0.592860 0.259300 As\n0.073815 0.228406 0.085615 As\n0.556769 0.592860 0.759300 As\n0.842902 0.098535 0.568462 As\n0.926185 0.771594 0.914385 As\n0.157098 0.901465 0.431538 As\n0.573815 0.771594 0.414385 As\n0.056769 0.407140 0.740700 As\n0.657098 0.098535 0.068462 As\n0.241032 0.063868 0.414226 O\n0.016384 0.254009 0.223257 O\n0.012401 0.386797 0.921144 O\n0.272914 0.914744 0.771122 O\n0.252813 0.237403 0.564514 O\n0.497660 0.242282 0.249321 O\n0.483259 0.104058 0.064688 O\n0.236130 0.764999 0.584629 O\n0.503017 0.073265 0.585927 O\n0.997660 0.757718 0.250679 O\n0.466558 0.443032 0.882096 O\n0.752813 0.762597 0.935486 O\n0.496983 0.926735 0.414073 O\n0.258968 0.063868 0.914226 O\n0.728255 0.581119 0.770482 O\n0.487599 0.386797 0.421144 O\n0.983616 0.745991 0.776743 O\n0.002340 0.242282 0.749321 O\n0.502340 0.757718 0.750679 O\n0.747187 0.762597 0.435486 O\n0.966558 0.556968 0.617904 O\n0.516384 0.745991 0.276743 O\n0.727086 0.085256 0.228878 O\n0.016741 0.104058 0.564688 O\n0.033442 0.443032 0.382096 O\n0.247187 0.237403 0.064513 O\n0.271745 0.418881 0.229518 O\n0.758968 0.936132 0.585774 O\n0.771745 0.581119 0.270482 O\n0.996983 0.073265 0.085927 O\n0.003017 0.926735 0.914073 O\n0.227086 0.914744 0.271122 O\n0.516741 0.895942 0.935312 O\n0.763870 0.235001 0.415371 O\n0.512401 0.613203 0.578856 O\n0.987599 0.613203 0.078856 O\n0.533442 0.556968 0.117904 O\n0.736130 0.235001 0.915371 O\n0.483616 0.254009 0.723257 O\n0.772914 0.085256 0.728878 O\n0.741032 0.936132 0.085774 O\n0.263870 0.764999 0.084629 O\n0.983259 0.895942 0.435312 O\n0.228255 0.418881 0.729518 O\n",
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"formula_full": "K4 Ni12 As12 O44",
"formula_reduced": "KNi3As3O11",
"formula_anonymous": "AB3C3D11",
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"spacegroup": 14
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{
"id": "mp-1207064",
"created_at": "2022-09-04T14:47:17.562158Z",
"structure_string": "Ba2 Tb1 Ta1 O6\n1.0\n-3.012989 3.012989 4.289937\n3.012989 -3.012989 4.289937\n3.012989 3.012989 -4.289937\nBa Tb Ta O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.000000 Ta\n0.264891 0.204313 0.469204 O\n0.735109 0.795687 0.530796 O\n0.204313 0.735109 0.939422 O\n0.795687 0.264891 0.060578 O\n0.234822 0.234822 0.000000 O\n0.765178 0.765178 0.000000 O\n",
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"density_atomic": 0.06419393557262443,
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"formula_full": "Ba2 Tb1 Ta1 O6",
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{
"id": "mp-27303",
"created_at": "2022-09-04T14:47:17.568570Z",
"structure_string": "Na2 Ag6 O4\n1.0\n-3.029052 3.130249 5.296282\n3.029052 -3.130249 5.296282\n3.029052 3.130249 -5.296282\nNa Ag O\n2 6 4\ndirect\n0.500000 0.750000 0.250000 Na\n0.500000 0.250000 0.750000 Na\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.822420 0.610275 0.212145 O\n0.398130 0.110275 0.287855 O\n0.601870 0.889725 0.712145 O\n0.177580 0.389725 0.787855 O\n",
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{
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"structure_string": "Li3 Mn4 B4 O12\n1.0\n5.265044 0.000000 0.000000\n-0.016018 5.891215 0.000000\n-0.131414 -1.703176 8.078454\nLi Mn B O\n3 4 4 12\ndirect\n0.838645 0.561522 0.225367 Li\n0.154515 0.460884 0.770597 Li\n0.339938 0.041605 0.720833 Li\n0.810824 0.828824 0.574628 Mn\n0.677338 0.690784 0.929377 Mn\n0.329359 0.320936 0.078233 Mn\n0.178441 0.161726 0.408872 Mn\n0.175804 0.832037 0.087642 B\n0.324656 0.655586 0.408037 B\n0.674111 0.337309 0.601689 B\n0.830270 0.172365 0.903616 B\n0.921602 0.818001 0.116255 O\n0.681086 0.986049 0.816752 O\n0.204627 0.835705 0.517051 O\n0.583185 0.650005 0.390745 O\n0.173084 0.480032 0.311801 O\n0.708168 0.353938 0.008865 O\n0.296850 0.654184 0.976405 O\n0.811161 0.537181 0.683320 O\n0.415975 0.318615 0.618384 O\n0.819448 0.153244 0.518236 O\n0.316341 0.018574 0.175014 O\n0.085940 0.179743 0.875643 O\n",
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{
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{
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{
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"structure_string": "Na8 Te4 Se12\n1.0\n3.031669 11.004238 0.000000\n-3.031669 11.004238 0.000000\n0.000000 6.295110 10.416508\nNa Te Se\n8 4 12\ndirect\n0.259434 0.236862 0.124150 Na\n0.537107 0.606674 0.809293 Na\n0.236862 0.259434 0.624150 Na\n0.763138 0.740566 0.375850 Na\n0.393326 0.462893 0.690707 Na\n0.740566 0.763138 0.875850 Na\n0.606674 0.537107 0.309293 Na\n0.462893 0.393326 0.190707 Na\n0.056093 0.157242 0.992348 Te\n0.943907 0.842758 0.007652 Te\n0.842758 0.943907 0.507652 Te\n0.157242 0.056093 0.492348 Te\n0.249199 0.231093 0.383289 Se\n0.626389 0.552862 0.042627 Se\n0.750801 0.768907 0.616711 Se\n0.373611 0.447138 0.957373 Se\n0.947202 0.881656 0.193987 Se\n0.231093 0.249199 0.883289 Se\n0.552862 0.626389 0.542627 Se\n0.447138 0.373611 0.457373 Se\n0.881656 0.947202 0.693987 Se\n0.768907 0.750801 0.116711 Se\n0.052798 0.118344 0.806013 Se\n0.118344 0.052798 0.306013 Se\n",
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"structure_string": "Li4 V2 Si8 O22\n1.0\n4.853210 5.402450 0.000000\n-4.853210 5.402450 0.000000\n0.000000 1.680551 8.047933\nLi V Si O\n4 2 8 22\ndirect\n0.919184 0.080816 0.750000 Li\n0.646726 0.353274 0.750000 Li\n0.353274 0.646726 0.250000 Li\n0.080816 0.919184 0.250000 Li\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.655519 0.778724 0.657741 Si\n0.778724 0.655519 0.157741 Si\n0.250491 0.842905 0.563068 Si\n0.157095 0.749509 0.936932 Si\n0.842905 0.250491 0.063068 Si\n0.749509 0.157095 0.436932 Si\n0.221276 0.344481 0.842259 Si\n0.344481 0.221276 0.342259 Si\n0.761289 0.942541 0.529915 O\n0.601319 0.859629 0.835465 O\n0.942541 0.761289 0.029915 O\n0.859629 0.601319 0.335465 O\n0.789567 0.587544 0.673607 O\n0.587544 0.789567 0.173607 O\n0.460846 0.748906 0.587590 O\n0.846831 0.269151 0.552113 O\n0.748906 0.460846 0.087590 O\n0.132891 0.867109 0.750000 O\n0.730849 0.153169 0.947887 O\n0.269151 0.846831 0.052113 O\n0.867109 0.132891 0.250000 O\n0.251094 0.539154 0.912410 O\n0.153169 0.730849 0.447887 O\n0.539154 0.251094 0.412410 O\n0.412456 0.210433 0.826393 O\n0.210433 0.412456 0.326393 O\n0.140371 0.398681 0.664535 O\n0.057459 0.238711 0.970085 O\n0.398681 0.140371 0.164535 O\n0.238711 0.057459 0.470085 O\n",
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"elements": [
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],
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"formula_full": "Li4 V2 Si8 O22",
"formula_reduced": "Li2VSi4O11",
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"updated_at": "2021-11-28T01:38:05.747000Z",
"spacegroup": 15
},
{
"id": "mp-728451",
"created_at": "2022-09-04T14:47:17.548624Z",
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"elements": [
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"formula_full": "S4 N16 O20",
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"updated_at": "2021-11-28T01:37:59.782000Z",
"spacegroup": 62
}
]
}