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{
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"results": [
{
"id": "mp-801915",
"created_at": "2022-09-04T14:42:54.652517Z",
"structure_string": "Al15 Fe9 O32\n1.0\n5.813369 0.000000 0.000000\n-2.903348 5.079527 0.000000\n-0.017804 -3.236272 19.035695\nAl Fe O\n15 9 32\ndirect\n0.500000 0.500000 0.000000 Al\n0.252722 0.002564 0.749205 Al\n0.122187 0.494740 0.125698 Al\n0.877813 0.505260 0.874302 Al\n0.000000 0.500000 0.000000 Al\n0.751457 0.501393 0.749552 Al\n0.251643 0.501576 0.749646 Al\n0.625448 0.500609 0.624727 Al\n0.248543 0.498607 0.250448 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.500000 Al\n0.747278 0.997436 0.250795 Al\n0.000000 0.000000 0.500000 Al\n0.374552 0.499391 0.375273 Al\n0.748357 0.498424 0.250354 Al\n0.843850 0.874879 0.093301 Fe\n0.500000 0.000000 0.000000 Fe\n0.156150 0.125121 0.906699 Fe\n0.345631 0.877456 0.593046 Fe\n0.596150 0.878392 0.842926 Fe\n0.654369 0.122544 0.406954 Fe\n0.904523 0.122633 0.656647 Fe\n0.095477 0.877367 0.343353 Fe\n0.403850 0.121608 0.157074 Fe\n0.522852 0.722630 0.059951 O\n0.086375 0.291898 0.059399 O\n0.584970 0.270515 0.050818 O\n0.913625 0.708102 0.940601 O\n0.477148 0.277370 0.940049 O\n0.919491 0.276792 0.940043 O\n0.080509 0.723208 0.059957 O\n0.842550 0.738402 0.807478 O\n0.589665 0.297908 0.559043 O\n0.842333 0.299856 0.808186 O\n0.415030 0.729485 0.949182 O\n0.171384 0.738384 0.698597 O\n0.332423 0.265197 0.800499 O\n0.663262 0.268259 0.691100 O\n0.222307 0.267314 0.691414 O\n0.971302 0.266188 0.441840 O\n0.028698 0.733812 0.558160 O\n0.280329 0.737313 0.807874 O\n0.588548 0.733452 0.558188 O\n0.919873 0.736676 0.449012 O\n0.080127 0.263324 0.550988 O\n0.661440 0.702893 0.690585 O\n0.828616 0.261616 0.301403 O\n0.410335 0.702092 0.440957 O\n0.411452 0.266548 0.441812 O\n0.157450 0.261598 0.192522 O\n0.777693 0.732686 0.308586 O\n0.336738 0.731741 0.308900 O\n0.338560 0.297107 0.309415 O\n0.667577 0.734803 0.199501 O\n0.157667 0.700144 0.191814 O\n0.719671 0.262687 0.192126 O\n",
"nsites": 56,
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"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 4.192819011277528,
"density_atomic": 0.09962495214173969,
"volume": 562.1081746702067,
"volume_molar": 6.044811696804734,
"formula_full": "Al15 Fe9 O32",
"formula_reduced": "Al15Fe9O32",
"formula_anonymous": "A9B15C32",
"energy": -380.6081702,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.921000Z",
"spacegroup": 2
},
{
"id": "mp-1248857",
"created_at": "2022-09-04T14:41:49.043766Z",
"structure_string": "Al14 Cu3 Se24\n1.0\n3.750911 6.459703 0.000000\n-3.750911 6.459703 0.000000\n0.000000 0.043480 18.456522\nAl Cu Se\n14 3 24\ndirect\n0.672050 0.672050 0.083992 Al\n0.335285 0.335285 0.414428 Al\n0.000251 0.000251 0.749674 Al\n0.159776 0.680809 0.209524 Al\n0.825393 0.349116 0.543591 Al\n0.491854 0.016249 0.877422 Al\n0.331496 0.331496 0.038662 Al\n0.001653 0.001653 0.367956 Al\n0.666671 0.666671 0.701802 Al\n0.680809 0.159776 0.209524 Al\n0.349116 0.825393 0.543591 Al\n0.016249 0.491854 0.877422 Al\n0.825446 0.825446 0.543629 Al\n0.491789 0.491789 0.877514 Al\n0.999709 0.999709 0.001666 Cu\n0.664198 0.664198 0.332490 Cu\n0.333166 0.333166 0.666828 Cu\n0.488923 0.488923 0.127677 Se\n0.155208 0.155208 0.461706 Se\n0.821677 0.821677 0.794403 Se\n0.021783 0.488344 0.127595 Se\n0.691294 0.153659 0.462163 Se\n0.356515 0.821753 0.794265 Se\n0.332893 0.332893 0.284258 Se\n0.000087 0.000087 0.616774 Se\n0.666162 0.666162 0.948373 Se\n0.488344 0.021783 0.127595 Se\n0.153659 0.691294 0.462163 Se\n0.821753 0.356515 0.794265 Se\n0.841717 0.316823 0.289299 Se\n0.508313 0.983501 0.622938 Se\n0.176182 0.649498 0.956293 Se\n0.999046 0.999046 0.130293 Se\n0.667040 0.667040 0.464551 Se\n0.333292 0.333292 0.797758 Se\n0.316823 0.841717 0.289299 Se\n0.983501 0.508313 0.622938 Se\n0.649498 0.176182 0.956293 Se\n0.841570 0.841570 0.290150 Se\n0.508226 0.508226 0.622811 Se\n0.174388 0.174388 0.955724 Se\n",
"nsites": 41,
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"elements": [
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"Cu",
"Se"
],
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"density": 4.573601365360808,
"density_atomic": 0.04584106365830211,
"volume": 894.394604488516,
"volume_molar": 13.13700049564481,
"formula_full": "Al14 Cu3 Se24",
"formula_reduced": "Al14(CuSe8)3",
"formula_anonymous": "A3B14C24",
"energy": -188.12176903,
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"updated_at": "2021-11-28T01:35:26.774000Z",
"spacegroup": 8
},
{
"id": "mp-1258739",
"created_at": "2022-09-04T14:42:19.692417Z",
"structure_string": "Al14 Cu3 S24\n1.0\n3.527656 6.078377 0.000000\n-3.527656 6.078377 0.000000\n0.000000 0.028321 17.356902\nAl Cu S\n14 3 24\ndirect\n0.340586 0.818965 0.165031 Al\n0.005717 0.489199 0.499192 Al\n0.673961 0.151822 0.830881 Al\n0.500003 0.500003 0.006139 Al\n0.164376 0.164376 0.340331 Al\n0.836074 0.836074 0.667859 Al\n0.818965 0.340586 0.165031 Al\n0.489199 0.005717 0.499192 Al\n0.151822 0.673961 0.830881 Al\n0.340474 0.340474 0.164977 Al\n0.674189 0.674189 0.830797 Al\n0.831314 0.831314 0.294541 Al\n0.494038 0.494038 0.623699 Al\n0.166425 0.166425 0.958625 Al\n0.833494 0.833494 0.041410 Cu\n0.502926 0.502926 0.376911 Cu\n0.166499 0.166499 0.705734 Cu\n0.657419 0.657419 0.085753 S\n0.323932 0.323932 0.418072 S\n0.991502 0.991502 0.753305 S\n0.185213 0.657346 0.085606 S\n0.851362 0.326487 0.418772 S\n0.519165 0.989309 0.752400 S\n0.499603 0.499603 0.242994 S\n0.169397 0.169397 0.577605 S\n0.833340 0.833340 0.909812 S\n0.657346 0.185213 0.085606 S\n0.326487 0.851362 0.418772 S\n0.989309 0.519165 0.752400 S\n0.012433 0.476498 0.246060 S\n0.674932 0.146053 0.581599 S\n0.344374 0.811141 0.914350 S\n0.166565 0.166565 0.091063 S\n0.831900 0.831900 0.423371 S\n0.500478 0.500478 0.759786 S\n0.476498 0.012433 0.246060 S\n0.146053 0.674932 0.581599 S\n0.811141 0.344374 0.914350 S\n0.010837 0.010837 0.246527 S\n0.677093 0.677093 0.580996 S\n0.344476 0.344476 0.914185 S\n",
"nsites": 41,
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"elements": [
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"Cu",
"S"
],
"chemical_system": "Al-Cu-S",
"density": 2.9847607019110307,
"density_atomic": 0.055081757460367795,
"volume": 744.3480725810202,
"volume_molar": 10.933094798823417,
"formula_full": "Al14 Cu3 S24",
"formula_reduced": "Al14(CuS8)3",
"formula_anonymous": "A3B14C24",
"energy": -212.77144654,
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"updated_at": "2021-11-28T01:35:43.313000Z",
"spacegroup": 8
},
{
"id": "mp-645302",
"created_at": "2022-09-04T14:39:05.676173Z",
"structure_string": "Al112 Co40 Si16\n1.0\n7.366595 0.000000 0.000000\n0.000000 13.948032 0.000000\n0.000000 0.000000 23.170396\nAl Co Si\n112 40 16\ndirect\n0.491061 0.345542 0.840247 Al\n0.031338 0.038008 0.659619 Al\n0.273213 0.933378 0.581482 Al\n0.293275 0.392579 0.083064 Al\n0.968662 0.961992 0.159619 Al\n0.903975 0.763255 0.079233 Al\n0.991061 0.154458 0.159753 Al\n0.773213 0.566622 0.081482 Al\n0.187880 0.558860 0.151621 Al\n0.226787 0.433378 0.581482 Al\n0.687880 0.941140 0.848379 Al\n0.508939 0.654458 0.340247 Al\n0.773213 0.566622 0.418518 Al\n0.991061 0.154458 0.340247 Al\n0.812120 0.441140 0.651621 Al\n0.234034 0.694685 0.250000 Al\n0.910810 0.203394 0.475552 Al\n0.255207 0.711357 0.072059 Al\n0.589190 0.703394 0.475552 Al\n0.626068 0.964283 0.529982 Al\n0.744792 0.288643 0.927941 Al\n0.100962 0.618339 0.918942 Al\n0.206725 0.892579 0.416936 Al\n0.968662 0.961992 0.340381 Al\n0.261026 0.676931 0.688478 Al\n0.738974 0.323069 0.188478 Al\n0.187880 0.558860 0.348379 Al\n0.738974 0.323069 0.311522 Al\n0.126068 0.535717 0.470018 Al\n0.265966 0.194685 0.250000 Al\n0.261026 0.676931 0.811522 Al\n0.255207 0.711357 0.427941 Al\n0.100962 0.618339 0.581058 Al\n0.744792 0.288643 0.572059 Al\n0.706725 0.607421 0.916936 Al\n0.626068 0.964283 0.970018 Al\n0.607245 0.153713 0.186364 Al\n0.293275 0.392579 0.416936 Al\n0.812120 0.441140 0.848379 Al\n0.508939 0.654458 0.159753 Al\n0.089191 0.796606 0.975552 Al\n0.726787 0.066622 0.081482 Al\n0.206725 0.892579 0.083064 Al\n0.687880 0.941140 0.651621 Al\n0.600962 0.881661 0.418942 Al\n0.226787 0.433378 0.918518 Al\n0.531338 0.461992 0.340381 Al\n0.244792 0.211357 0.072059 Al\n0.107245 0.346287 0.686364 Al\n0.793275 0.107421 0.583064 Al\n0.093045 0.339265 0.185817 Al\n0.919603 0.505415 0.750000 Al\n0.244792 0.211357 0.427941 Al\n0.373932 0.035717 0.470018 Al\n0.080397 0.494585 0.250000 Al\n0.273213 0.933378 0.918518 Al\n0.593045 0.160735 0.814183 Al\n0.903975 0.763255 0.420767 Al\n0.892755 0.653713 0.186364 Al\n0.126068 0.535717 0.029982 Al\n0.468662 0.538008 0.659619 Al\n0.410809 0.296606 0.975552 Al\n0.312120 0.058860 0.348379 Al\n0.873932 0.464283 0.970018 Al\n0.531338 0.461992 0.159619 Al\n0.107245 0.346287 0.813636 Al\n0.419603 0.994585 0.250000 Al\n0.093045 0.339265 0.314183 Al\n0.761026 0.823069 0.188478 Al\n0.403975 0.736745 0.579233 Al\n0.580397 0.005415 0.750000 Al\n0.706725 0.607421 0.583064 Al\n0.589190 0.703394 0.024448 Al\n0.596025 0.263255 0.079233 Al\n0.755208 0.788643 0.572059 Al\n0.096025 0.236745 0.920767 Al\n0.399038 0.118339 0.918942 Al\n0.392755 0.846287 0.813636 Al\n0.600962 0.881661 0.081058 Al\n0.238974 0.176931 0.811522 Al\n0.238974 0.176931 0.688478 Al\n0.596025 0.263255 0.420767 Al\n0.607245 0.153713 0.313636 Al\n0.008939 0.845542 0.840247 Al\n0.406955 0.839265 0.185817 Al\n0.899038 0.381661 0.081058 Al\n0.399038 0.118339 0.581058 Al\n0.096025 0.236745 0.579233 Al\n0.765966 0.305315 0.750000 Al\n0.761026 0.823069 0.311522 Al\n0.089191 0.796606 0.524448 Al\n0.793275 0.107421 0.916936 Al\n0.755208 0.788643 0.927941 Al\n0.403975 0.736745 0.920767 Al\n0.726787 0.066622 0.418518 Al\n0.008939 0.845542 0.659753 Al\n0.392755 0.846287 0.686364 Al\n0.899038 0.381661 0.418942 Al\n0.406955 0.839265 0.314183 Al\n0.910810 0.203394 0.024448 Al\n0.031338 0.038008 0.840381 Al\n0.312120 0.058860 0.151621 Al\n0.491061 0.345542 0.659753 Al\n0.873932 0.464283 0.529982 Al\n0.410809 0.296606 0.524448 Al\n0.468662 0.538008 0.840381 Al\n0.734034 0.805315 0.750000 Al\n0.892755 0.653713 0.313636 Al\n0.906955 0.660735 0.685817 Al\n0.373932 0.035717 0.029982 Al\n0.906955 0.660735 0.814183 Al\n0.593045 0.160735 0.685817 Al\n0.919668 0.939647 0.924091 Co\n0.901746 0.654333 0.502743 Co\n0.900338 0.212451 0.662677 Co\n0.598254 0.154333 0.502743 Co\n0.401746 0.845667 0.497257 Co\n0.383500 0.018962 0.832916 Co\n0.400338 0.287549 0.162677 Co\n0.580332 0.439647 0.575909 Co\n0.401746 0.845667 0.002743 Co\n0.580332 0.439647 0.924091 Co\n0.904154 0.953935 0.750000 Co\n0.383500 0.018962 0.667084 Co\n0.618063 0.705484 0.250000 Co\n0.901746 0.654333 0.997257 Co\n0.598254 0.154333 0.997257 Co\n0.900338 0.212451 0.837323 Co\n0.098254 0.345667 0.497257 Co\n0.881937 0.205484 0.250000 Co\n0.080332 0.060353 0.424091 Co\n0.381937 0.294516 0.750000 Co\n0.419668 0.560353 0.075909 Co\n0.080332 0.060353 0.075909 Co\n0.595846 0.453935 0.750000 Co\n0.616500 0.981038 0.332916 Co\n0.599662 0.712451 0.662677 Co\n0.095846 0.046065 0.250000 Co\n0.400338 0.287549 0.337323 Co\n0.919668 0.939647 0.575909 Co\n0.116500 0.518962 0.667084 Co\n0.883500 0.481038 0.167084 Co\n0.098254 0.345667 0.002743 Co\n0.116500 0.518962 0.832916 Co\n0.883500 0.481038 0.332916 Co\n0.599662 0.712451 0.837323 Co\n0.616500 0.981038 0.167084 Co\n0.419668 0.560353 0.424091 Co\n0.099662 0.787549 0.162677 Co\n0.404154 0.546065 0.250000 Co\n0.099662 0.787549 0.337323 Co\n0.118063 0.794516 0.750000 Co\n0.414279 0.562988 0.972099 Si\n0.414279 0.562988 0.527901 Si\n0.382538 0.375962 0.250000 Si\n0.786765 0.031321 0.250000 Si\n0.117462 0.875962 0.250000 Si\n0.286765 0.468679 0.750000 Si\n0.713235 0.531321 0.250000 Si\n0.085721 0.062988 0.972099 Si\n0.585721 0.437012 0.472099 Si\n0.617462 0.624038 0.750000 Si\n0.914279 0.937012 0.027901 Si\n0.585721 0.437012 0.027901 Si\n0.882538 0.124038 0.750000 Si\n0.213235 0.968679 0.750000 Si\n0.914279 0.937012 0.472099 Si\n0.085721 0.062988 0.527901 Si\n",
"nsites": 168,
"nelements": 3,
"elements": [
"Al",
"Co",
"Si"
],
"chemical_system": "Al-Co-Si",
"density": 4.065390422018726,
"density_atomic": 0.07056609685727719,
"volume": 2380.7466684715023,
"volume_molar": 8.53404259014074,
"formula_full": "Al112 Co40 Si16",
"formula_reduced": "Al14Co5Si2",
"formula_anonymous": "A2B5C14",
"energy": -855.5935326,
"energy_per_atom": -5.092818646428571,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:40.469000Z",
"spacegroup": 62
},
{
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},
{
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{
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]
}