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"results": [
{
"id": "mp-1211154",
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"structure_string": "Na6 Ca8 Ti2 Si8 O32 F4\n1.0\n5.689929 0.000000 0.000000\n0.000000 7.458434 0.000000\n0.000000 0.007251 18.819196\nNa Ca Ti Si O F\n6 8 2 8 32 4\ndirect\n0.348845 0.623102 0.249298 Na\n0.848845 0.376898 0.750702 Na\n0.847600 0.858760 0.245956 Na\n0.347600 0.141240 0.754044 Na\n0.340707 0.612300 0.752912 Na\n0.840707 0.387700 0.247088 Na\n0.182907 0.877026 0.552180 Ca\n0.682907 0.122974 0.447820 Ca\n0.000449 0.627914 0.061728 Ca\n0.500449 0.372086 0.938272 Ca\n0.199195 0.373913 0.565549 Ca\n0.699195 0.626087 0.434451 Ca\n0.500482 0.876077 0.939999 Ca\n0.000482 0.123923 0.060001 Ca\n0.310862 0.123103 0.236486 Ti\n0.810862 0.876897 0.763514 Ti\n0.495160 0.408707 0.108578 Si\n0.995160 0.591293 0.891422 Si\n0.199843 0.840463 0.387776 Si\n0.699843 0.159537 0.612224 Si\n0.202202 0.407702 0.391334 Si\n0.702202 0.592298 0.608666 Si\n0.495823 0.840766 0.110361 Si\n0.995823 0.159234 0.889639 Si\n0.488200 0.935784 0.188816 O\n0.988200 0.064216 0.811184 O\n0.739076 0.881806 0.067957 O\n0.239076 0.118194 0.932043 O\n0.737547 0.369106 0.065389 O\n0.237547 0.630894 0.934611 O\n0.485452 0.310182 0.186276 O\n0.985452 0.689818 0.813724 O\n0.077467 0.860526 0.679531 O\n0.577467 0.139474 0.320469 O\n0.222213 0.937039 0.309538 O\n0.722213 0.062961 0.690462 O\n0.492598 0.624164 0.130280 O\n0.992598 0.375836 0.869720 O\n0.242760 0.308772 0.313290 O\n0.742760 0.691228 0.686710 O\n0.446234 0.641058 0.575793 O\n0.946234 0.358942 0.424207 O\n0.045235 0.127934 0.190760 O\n0.545235 0.872066 0.809240 O\n0.269881 0.370164 0.057275 O\n0.769881 0.629836 0.942725 O\n0.953416 0.885948 0.427979 O\n0.453416 0.114052 0.572021 O\n0.413753 0.377536 0.448182 O\n0.913753 0.622464 0.551818 O\n0.419855 0.875248 0.441100 O\n0.919855 0.124752 0.558900 O\n0.197122 0.622742 0.367720 O\n0.697122 0.377258 0.632280 O\n0.270622 0.881732 0.059774 O\n0.770622 0.118268 0.940226 O\n0.689022 0.626069 0.313816 F\n0.189022 0.373931 0.686184 F\n0.006472 0.621484 0.183541 F\n0.506472 0.378516 0.816459 F\n",
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{
"id": "mp-1223559",
"created_at": "2022-09-04T14:42:21.535652Z",
"structure_string": "K1 Cr1 Cd1 C6 N6 O1\n1.0\n0.000000 5.591867 5.591867\n5.591867 0.000000 5.591867\n5.591867 5.591867 0.000000\nK Cr Cd C N O\n1 1 1 6 6 1\ndirect\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cd\n0.813497 0.186503 0.186503 C\n0.186503 0.813497 0.186503 C\n0.186503 0.186503 0.813497 C\n0.186503 0.813497 0.813497 C\n0.813497 0.813497 0.186503 C\n0.813497 0.186503 0.813497 C\n0.708806 0.291194 0.291194 N\n0.291194 0.708806 0.291194 N\n0.291194 0.291194 0.708806 N\n0.291194 0.708806 0.708806 N\n0.708806 0.708806 0.291194 N\n0.708806 0.291194 0.708806 N\n0.250000 0.250000 0.250000 O\n",
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"density_atomic": 0.045752990634597465,
"volume": 349.7039161392246,
"volume_molar": 13.162288795710289,
"formula_full": "K1 Cr1 Cd1 C6 N6 O1",
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{
"id": "mp-1069042",
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"structure_string": "Eu1 Zn2 Sb2\n1.0\n2.290005 -3.966405 0.000000\n2.290005 3.966405 0.000000\n0.000000 0.000000 7.423235\nEu Zn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.359124 Zn\n0.333333 0.666667 0.640876 Zn\n0.666667 0.333333 0.737113 Sb\n0.333333 0.666667 0.262887 Sb\n",
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"density": 6.48078218488858,
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{
"id": "mp-558408",
"created_at": "2022-09-04T14:42:21.590726Z",
"structure_string": "Nb8 Te18 I8 O2\n1.0\n3.154228 11.559349 0.000000\n-3.154228 11.559349 0.000000\n0.000000 11.224477 17.618278\nNb Te I O\n8 18 8 2\ndirect\n0.995340 0.883180 0.353683 Nb\n0.116820 0.004660 0.146317 Nb\n0.883180 0.995340 0.853683 Nb\n0.219562 0.624858 0.236228 Nb\n0.624858 0.219562 0.736228 Nb\n0.780438 0.375142 0.763772 Nb\n0.375142 0.780438 0.263772 Nb\n0.004660 0.116820 0.646317 Nb\n0.939425 0.951762 0.126994 Te\n0.621575 0.330478 0.926964 Te\n0.476689 0.188093 0.901194 Te\n0.060575 0.048238 0.873006 Te\n0.330478 0.621575 0.426964 Te\n0.378425 0.669522 0.073036 Te\n0.304252 0.695748 0.750000 Te\n0.523311 0.811907 0.098806 Te\n0.695748 0.304252 0.250000 Te\n0.951762 0.939425 0.626994 Te\n0.819720 0.830838 0.332684 Te\n0.169162 0.180280 0.167316 Te\n0.669522 0.378425 0.573036 Te\n0.188093 0.476689 0.401194 Te\n0.180280 0.169162 0.667316 Te\n0.830838 0.819720 0.832684 Te\n0.811907 0.523311 0.598806 Te\n0.048238 0.060575 0.373006 Te\n0.664710 0.060846 0.486302 I\n0.939154 0.335290 0.013698 I\n0.607831 0.728426 0.780269 I\n0.060846 0.664710 0.986302 I\n0.335290 0.939154 0.513698 I\n0.728426 0.607831 0.280269 I\n0.392169 0.271574 0.219731 I\n0.271574 0.392169 0.719731 I\n0.240352 0.759648 0.250000 O\n0.759648 0.240352 0.750000 O\n",
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"formula_full": "Nb8 Te18 I8 O2",
"formula_reduced": "Nb4Te9I4O",
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"spacegroup": 15
},
{
"id": "mp-1521453",
"created_at": "2022-09-04T14:42:21.616305Z",
"structure_string": "Sr8 Pr4 Ge4 O24\n1.0\n8.385221 -0.000000 0.000000\n-0.000000 8.385221 0.000000\n0.000000 -0.000000 8.385221\nSr Pr Ge O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 -0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 -0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.250000 0.250000 0.250000 Pr\n0.250000 0.750000 0.750000 Pr\n0.750000 0.250000 0.750000 Pr\n0.750000 0.750000 0.250000 Pr\n0.750000 0.750000 0.750000 Ge\n0.750000 0.250000 0.250000 Ge\n0.250000 0.750000 0.250000 Ge\n0.250000 0.250000 0.750000 Ge\n0.219650 0.285032 0.525368 O\n0.219650 0.714968 0.474632 O\n0.780350 0.285032 0.474632 O\n0.780350 0.714968 0.525368 O\n0.285032 0.525368 0.219650 O\n0.714968 0.474632 0.219650 O\n0.285032 0.474632 0.780350 O\n0.714968 0.525368 0.780350 O\n0.525368 0.219650 0.285032 O\n0.474632 0.219650 0.714968 O\n0.474632 0.780350 0.285032 O\n0.525368 0.780350 0.714968 O\n0.280350 0.214968 0.974632 O\n0.280350 0.785032 0.025368 O\n0.719650 0.214968 0.025368 O\n0.719650 0.785032 0.974632 O\n0.214968 0.974632 0.280350 O\n0.785032 0.025368 0.280350 O\n0.214968 0.025368 0.719650 O\n0.785032 0.974632 0.719650 O\n0.974632 0.280350 0.214968 O\n0.025368 0.280350 0.785032 O\n0.025368 0.719650 0.214968 O\n0.974632 0.719650 0.785032 O\n",
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{
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"structure_string": "Mg14 Cd1 Mo1\n1.0\n6.296146 -0.013167 0.000000\n-3.159476 5.472372 0.000000\n0.000000 0.000000 9.943448\nMg Cd Mo\n14 1 1\ndirect\n0.166910 0.333454 0.625000 Mg\n0.168707 0.834353 0.625000 Mg\n0.667579 0.331935 0.125000 Mg\n0.665851 0.331407 0.625000 Mg\n0.667579 0.835643 0.125000 Mg\n0.665851 0.834444 0.625000 Mg\n0.327492 0.171471 0.365222 Mg\n0.327492 0.171471 0.884778 Mg\n0.327492 0.656023 0.365222 Mg\n0.327492 0.656023 0.884778 Mg\n0.844297 0.172149 0.367835 Mg\n0.844297 0.172149 0.882165 Mg\n0.833880 0.666940 0.374250 Mg\n0.833880 0.666940 0.875750 Mg\n0.165986 0.832992 0.125000 Cd\n0.165214 0.332606 0.125000 Mo\n",
"nsites": 16,
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"formula_full": "Mg14 Cd1 Mo1",
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{
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"structure_string": "Ca2 Fe1 P2 O12\n1.0\n0.023042 0.107515 -5.796996\n6.006559 0.030464 -1.550579\n-1.916699 -6.517142 1.414421\nCa Fe P O\n2 1 2 12\ndirect\n0.680194 0.699072 0.228063 Ca\n0.319806 0.300928 0.771937 Ca\n0.000000 0.000000 0.000000 Fe\n0.769382 0.569721 0.724809 P\n0.230618 0.430279 0.275191 P\n0.107711 0.683219 0.368936 O\n0.892289 0.316781 0.631064 O\n0.672188 0.701369 0.561550 O\n0.327813 0.298631 0.438450 O\n0.991879 0.672736 0.879812 O\n0.008121 0.327264 0.120188 O\n0.577507 0.582499 0.852898 O\n0.422493 0.417501 0.147102 O\n0.271177 0.922596 0.168378 O\n0.728823 0.077404 0.831622 O\n0.216289 0.971982 0.835061 O\n0.783711 0.028018 0.164939 O\n",
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{
"id": "mp-1176295",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.017579 -0.243429 0.000000\n-1.084380 9.641521 0.000000\n0.000000 0.000000 5.788663\nLi Mn Co O\n9 2 5 16\ndirect\n0.253397 0.259659 0.252879 Li\n0.746603 0.740341 0.252879 Li\n0.762624 0.264087 0.503992 Li\n0.237376 0.735913 0.503992 Li\n0.251963 0.263506 0.747001 Li\n0.748037 0.736494 0.747001 Li\n0.750868 0.264777 0.996183 Li\n0.249132 0.735223 0.996183 Li\n0.000000 0.500000 0.748194 Li\n0.000000 0.000000 0.995495 Mn\n0.500000 0.000000 0.252365 Mn\n0.500000 0.500000 0.987391 Co\n0.000000 0.500000 0.257020 Co\n0.000000 0.000000 0.497651 Co\n0.500000 0.500000 0.497068 Co\n0.500000 0.000000 0.751859 Co\n0.863360 0.107005 0.253493 O\n0.358271 0.610379 0.258109 O\n0.361183 0.110516 0.490697 O\n0.863476 0.609332 0.481648 O\n0.872199 0.108797 0.745082 O\n0.393671 0.616290 0.738620 O\n0.396519 0.119653 0.017251 O\n0.863091 0.609910 0.021523 O\n0.641729 0.389621 0.258109 O\n0.136640 0.892995 0.253493 O\n0.136524 0.390668 0.481648 O\n0.638817 0.889484 0.490697 O\n0.606329 0.383710 0.738620 O\n0.127801 0.891203 0.745082 O\n0.136909 0.390090 0.021523 O\n0.603481 0.880347 0.017251 O\n",
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{
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"structure_string": "U1 O3\n1.0\n1.902981 -3.508892 0.000000\n1.902981 3.508892 0.000000\n0.000000 0.000000 4.144477\nU O\n1 3\ndirect\n0.500000 0.500000 0.000000 U\n0.163013 0.836987 0.000000 O\n0.500000 0.500000 0.500000 O\n0.836987 0.163013 0.000000 O\n",
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]
}