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{
"count": 146323,
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{
"id": "mp-1247697",
"created_at": "2022-09-04T14:40:23.860218Z",
"structure_string": "Ca32 Mn28 Al4 O94\n1.0\n10.816324 0.000544 -0.037121\n0.000759 15.080975 0.000675\n-0.036703 0.000474 10.670971\nCa Mn Al O\n32 28 4 94\ndirect\n0.022272 0.125288 0.497333 Ca\n0.020617 0.120370 0.992549 Ca\n0.023966 0.625204 0.494926 Ca\n0.023530 0.625080 0.996344 Ca\n0.525407 0.128390 0.497070 Ca\n0.525017 0.125373 0.995976 Ca\n0.523091 0.624452 0.495432 Ca\n0.521911 0.624963 0.996798 Ca\n0.477551 0.376154 0.005581 Ca\n0.476480 0.374532 0.504510 Ca\n0.476121 0.874305 0.002263 Ca\n0.479466 0.870778 0.506745 Ca\n0.974301 0.378201 0.002125 Ca\n0.978568 0.375387 0.503311 Ca\n0.977062 0.874673 0.005313 Ca\n0.974589 0.874961 0.503816 Ca\n0.234342 0.378396 0.251012 Ca\n0.227544 0.375182 0.747216 Ca\n0.228244 0.875681 0.245971 Ca\n0.229018 0.875937 0.747922 Ca\n0.726284 0.373116 0.243963 Ca\n0.727240 0.374638 0.745702 Ca\n0.729772 0.873748 0.245631 Ca\n0.726762 0.875427 0.744972 Ca\n0.264976 0.128269 0.249368 Ca\n0.270938 0.125935 0.750451 Ca\n0.273120 0.625309 0.254132 Ca\n0.272542 0.625176 0.754396 Ca\n0.770698 0.121884 0.255803 Ca\n0.773045 0.124948 0.754775 Ca\n0.773255 0.624937 0.254684 Ca\n0.772820 0.625209 0.754586 Ca\n0.003824 0.002927 0.249849 Mn\n0.997274 0.998722 0.750965 Mn\n0.000411 0.498280 0.249297 Mn\n0.000064 0.500116 0.749281 Mn\n0.498284 0.000216 0.748092 Mn\n0.500661 0.500511 0.250057 Mn\n0.500160 0.499536 0.749990 Mn\n0.250540 0.002344 0.003386 Mn\n0.249265 0.498134 0.999739 Mn\n0.250376 0.500400 0.500737 Mn\n0.750933 0.999160 0.997459 Mn\n0.747666 0.000216 0.498660 Mn\n0.749536 0.500388 0.999755 Mn\n0.750405 0.499365 0.499677 Mn\n0.249399 0.248055 0.497692 Mn\n0.249814 0.750100 0.000251 Mn\n0.250667 0.752452 0.499059 Mn\n0.752258 0.249619 0.001668 Mn\n0.749393 0.249824 0.502694 Mn\n0.749784 0.750083 0.000030 Mn\n0.750431 0.749596 0.500133 Mn\n0.001462 0.249492 0.752103 Mn\n0.000639 0.750513 0.249939 Mn\n0.000116 0.750283 0.749945 Mn\n0.496512 0.248357 0.249501 Mn\n0.502597 0.249262 0.749034 Mn\n0.499458 0.752924 0.251044 Mn\n0.500030 0.749593 0.750518 Mn\n0.513869 0.998832 0.230036 Al\n0.230198 0.996151 0.513312 Al\n0.269559 0.246525 0.985607 Al\n0.985077 0.249000 0.269557 Al\n0.105196 0.267586 0.603959 O\n0.103844 0.770281 0.102886 O\n0.104466 0.771601 0.602655 O\n0.603958 0.268622 0.104038 O\n0.602982 0.269663 0.601851 O\n0.604180 0.771732 0.103877 O\n0.605355 0.768983 0.604598 O\n0.394944 0.229441 0.396099 O\n0.401696 0.229668 0.890715 O\n0.396254 0.730768 0.397208 O\n0.395869 0.729801 0.897052 O\n0.890492 0.229583 0.402746 O\n0.897573 0.229745 0.898530 O\n0.895811 0.729712 0.396752 O\n0.895878 0.729241 0.896975 O\n0.141189 0.233067 0.349794 O\n0.141515 0.231397 0.865117 O\n0.146473 0.730219 0.352771 O\n0.146431 0.729774 0.852959 O\n0.645658 0.229350 0.352294 O\n0.649146 0.229520 0.852593 O\n0.645778 0.730582 0.353742 O\n0.645764 0.729293 0.853582 O\n0.348985 0.268195 0.142464 O\n0.353231 0.269426 0.646580 O\n0.353603 0.770806 0.147292 O\n0.354444 0.771218 0.647003 O\n0.867277 0.270324 0.141454 O\n0.854013 0.271059 0.649154 O\n0.853968 0.770488 0.146925 O\n0.854344 0.770785 0.647038 O\n0.354961 0.480151 0.146158 O\n0.353840 0.479445 0.647625 O\n0.357457 0.983288 0.151313 O\n0.358178 0.981636 0.634290 O\n0.853323 0.479134 0.146902 O\n0.853876 0.479223 0.646881 O\n0.855325 0.980823 0.147029 O\n0.851135 0.979521 0.646898 O\n0.150435 0.019046 0.357053 O\n0.146028 0.020545 0.853775 O\n0.146361 0.519761 0.353244 O\n0.146088 0.520154 0.852618 O\n0.632491 0.020480 0.358535 O\n0.645624 0.020866 0.850736 O\n0.646287 0.520504 0.352858 O\n0.646078 0.520973 0.853095 O\n0.395019 0.021266 0.896277 O\n0.395627 0.520067 0.396654 O\n0.395264 0.518007 0.897217 O\n0.894622 0.022137 0.395214 O\n0.894986 0.019277 0.895835 O\n0.897261 0.518112 0.396771 O\n0.896657 0.519342 0.897766 O\n0.103832 0.479207 0.102895 O\n0.104164 0.479596 0.603133 O\n0.104959 0.980933 0.103785 O\n0.098363 0.979939 0.609199 O\n0.604305 0.479565 0.103346 O\n0.604049 0.479602 0.602976 O\n0.609580 0.979773 0.097403 O\n0.602449 0.979346 0.601462 O\n0.015093 0.370716 0.276939 O\n0.010120 0.375251 0.788911 O\n0.010191 0.876020 0.289487 O\n0.009924 0.874357 0.791543 O\n0.508125 0.374395 0.288743 O\n0.510199 0.374837 0.789875 O\n0.505871 0.880301 0.288228 O\n0.509261 0.875042 0.788695 O\n0.484402 0.120767 0.222436 O\n0.490435 0.124829 0.708930 O\n0.490586 0.626132 0.211371 O\n0.489520 0.624740 0.710595 O\n0.995935 0.130420 0.211837 O\n0.990671 0.124875 0.711526 O\n0.990340 0.624348 0.211001 O\n0.989768 0.625057 0.709982 O\n0.237514 0.129877 0.036666 O\n0.250698 0.120340 0.527788 O\n0.240449 0.624291 0.039018 O\n0.240772 0.626036 0.539197 O\n0.740602 0.125067 0.040326 O\n0.738760 0.124891 0.541267 O\n0.739920 0.625263 0.039875 O\n0.740805 0.624813 0.539308 O\n0.259788 0.374630 0.462641 O\n0.248240 0.370400 0.970681 O\n0.261850 0.879589 0.462023 O\n0.260024 0.876036 0.962511 O\n0.760112 0.374960 0.460065 O\n0.758902 0.375265 0.960809 O\n0.759355 0.875266 0.459726 O\n0.761587 0.874543 0.958628 O\n",
"nsites": 158,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Ca-Mn-O",
"density": 4.228659917401827,
"density_atomic": 0.09077142802150796,
"volume": 1740.6358305012286,
"volume_molar": 6.634401255175887,
"formula_full": "Ca32 Mn28 Al4 O94",
"formula_reduced": "Ca16Mn14Al2O47",
"formula_anonymous": "A2B14C16D47",
"energy": -1208.48702835,
"energy_per_atom": -7.648652078164557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1097.20502835,
"band_gap": 0.2797999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 84.0000072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.931000Z",
"spacegroup": 1
},
{
"id": "mp-729474",
"created_at": "2022-09-04T14:47:27.146860Z",
"structure_string": "Ba8 Mo32 O120\n1.0\n7.798284 0.000000 0.000000\n0.000000 16.046710 0.000000\n0.000000 0.000000 20.563596\nBa Mo O\n8 32 120\ndirect\n0.828885 0.394621 0.053678 Ba\n0.671115 0.894621 0.446322 Ba\n0.671115 0.605379 0.553678 Ba\n0.828885 0.105379 0.946322 Ba\n0.171115 0.605379 0.946322 Ba\n0.328885 0.105379 0.553678 Ba\n0.328885 0.394621 0.446322 Ba\n0.171115 0.894621 0.053678 Ba\n0.648014 0.978891 0.118126 Mo\n0.851986 0.478891 0.381874 Mo\n0.851986 0.021109 0.618126 Mo\n0.648014 0.521109 0.881874 Mo\n0.351986 0.021109 0.881874 Mo\n0.148014 0.521109 0.618126 Mo\n0.148014 0.978891 0.381874 Mo\n0.351986 0.478891 0.118126 Mo\n0.661111 0.819622 0.251365 Mo\n0.838889 0.319622 0.248635 Mo\n0.838889 0.180378 0.751365 Mo\n0.661111 0.680378 0.748635 Mo\n0.338889 0.180378 0.748635 Mo\n0.161111 0.680378 0.751365 Mo\n0.161111 0.819622 0.248635 Mo\n0.338889 0.319622 0.251365 Mo\n0.349601 0.113497 0.244964 Mo\n0.150399 0.613497 0.255036 Mo\n0.150399 0.886503 0.744964 Mo\n0.349601 0.386503 0.755036 Mo\n0.650399 0.886503 0.755036 Mo\n0.849601 0.386503 0.744964 Mo\n0.849601 0.113497 0.255036 Mo\n0.650399 0.613497 0.244964 Mo\n0.521280 0.177353 0.106076 Mo\n0.978720 0.677353 0.393924 Mo\n0.978720 0.822647 0.606076 Mo\n0.521280 0.322647 0.893924 Mo\n0.478720 0.822647 0.893924 Mo\n0.021280 0.322647 0.606076 Mo\n0.021280 0.177353 0.393924 Mo\n0.478720 0.677353 0.106076 Mo\n0.680843 0.089604 0.077804 O\n0.819157 0.589604 0.422196 O\n0.819157 0.910396 0.577804 O\n0.680843 0.410396 0.922196 O\n0.319157 0.910396 0.922196 O\n0.180843 0.410396 0.577804 O\n0.180843 0.089604 0.422196 O\n0.319157 0.589604 0.077804 O\n0.827304 0.934905 0.078661 O\n0.672696 0.434905 0.421339 O\n0.672696 0.065095 0.578661 O\n0.827304 0.565095 0.921339 O\n0.172696 0.065095 0.921339 O\n0.327304 0.565095 0.578661 O\n0.327304 0.934905 0.421339 O\n0.172696 0.434905 0.078661 O\n0.477345 0.948806 0.067861 O\n0.022655 0.448806 0.432139 O\n0.022655 0.051194 0.567861 O\n0.477345 0.551194 0.932139 O\n0.522655 0.051194 0.932139 O\n0.977345 0.551194 0.567861 O\n0.977345 0.948806 0.432139 O\n0.522655 0.448806 0.067861 O\n0.823999 0.034288 0.195141 O\n0.676001 0.534288 0.304859 O\n0.676001 0.965712 0.695141 O\n0.823999 0.465712 0.804859 O\n0.176001 0.965712 0.804859 O\n0.323999 0.465712 0.695141 O\n0.323999 0.034288 0.304859 O\n0.176001 0.534288 0.195141 O\n0.468363 0.068955 0.169803 O\n0.031637 0.568955 0.330197 O\n0.031637 0.931045 0.669803 O\n0.468363 0.431045 0.830197 O\n0.531637 0.931045 0.830197 O\n0.968363 0.431045 0.669803 O\n0.968363 0.068955 0.330197 O\n0.531637 0.568955 0.169803 O\n0.600043 0.900487 0.186664 O\n0.899957 0.400487 0.313336 O\n0.899957 0.099513 0.686664 O\n0.600043 0.599513 0.813336 O\n0.399957 0.099513 0.813336 O\n0.100043 0.599513 0.686664 O\n0.100043 0.900487 0.313336 O\n0.399957 0.400487 0.186664 O\n0.664365 0.710419 0.299395 O\n0.835635 0.210419 0.200605 O\n0.835635 0.289581 0.799395 O\n0.664365 0.789581 0.700605 O\n0.335635 0.289581 0.700605 O\n0.164365 0.789581 0.799395 O\n0.164365 0.710419 0.200605 O\n0.335635 0.210419 0.299395 O\n0.669450 0.883039 0.320558 O\n0.830550 0.383039 0.179442 O\n0.830550 0.116961 0.820558 O\n0.669450 0.616961 0.679442 O\n0.330550 0.116961 0.679442 O\n0.169450 0.616961 0.820558 O\n0.169450 0.883039 0.179442 O\n0.330550 0.383039 0.320558 O\n0.421397 0.224047 0.182876 O\n0.078603 0.724047 0.317124 O\n0.078603 0.775953 0.682876 O\n0.421397 0.275953 0.817124 O\n0.578603 0.775953 0.817124 O\n0.921397 0.275953 0.682876 O\n0.921397 0.224047 0.317124 O\n0.578603 0.724047 0.182876 O\n0.881101 0.813386 0.230091 O\n0.618899 0.313386 0.269909 O\n0.618899 0.186614 0.730091 O\n0.881101 0.686614 0.769909 O\n0.118899 0.186614 0.769909 O\n0.381101 0.686614 0.730091 O\n0.381101 0.813386 0.269909 O\n0.118899 0.313386 0.230091 O\n0.135946 0.116830 0.216636 O\n0.364054 0.616830 0.283364 O\n0.364054 0.883170 0.716636 O\n0.135946 0.383170 0.783364 O\n0.864054 0.883170 0.783364 O\n0.635946 0.383170 0.716636 O\n0.635946 0.116830 0.283364 O\n0.864054 0.616830 0.216636 O\n0.650563 0.259278 0.076314 O\n0.849437 0.759278 0.423686 O\n0.849437 0.740722 0.576314 O\n0.650563 0.240722 0.923686 O\n0.349437 0.740722 0.923686 O\n0.150563 0.240722 0.576314 O\n0.150563 0.259278 0.423686 O\n0.349437 0.759278 0.076314 O\n0.357186 0.170524 0.050574 O\n0.142814 0.670524 0.449426 O\n0.142814 0.829476 0.550574 O\n0.357186 0.329476 0.949426 O\n0.642814 0.829476 0.949426 O\n0.857186 0.329476 0.550574 O\n0.857186 0.170524 0.449426 O\n0.642814 0.670524 0.050574 O\n0.041718 0.384332 0.924182 O\n0.458282 0.884332 0.575818 O\n0.458282 0.615668 0.424182 O\n0.041718 0.115668 0.075818 O\n0.958282 0.615668 0.075818 O\n0.541718 0.115668 0.424182 O\n0.541718 0.384332 0.575818 O\n0.958282 0.884332 0.924182 O\n0.011210 0.188536 0.060203 O\n0.488790 0.688536 0.439797 O\n0.488790 0.811464 0.560203 O\n0.011210 0.311464 0.939797 O\n0.988790 0.811464 0.939797 O\n0.511210 0.311464 0.560203 O\n0.511210 0.188536 0.439797 O\n0.988790 0.688536 0.060203 O\n",
"nsites": 160,
"nelements": 3,
"elements": [
"Ba",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-O",
"density": 3.9290190845599446,
"density_atomic": 0.06217787397381899,
"volume": 2573.2626378857954,
"volume_molar": 9.68534363612323,
"formula_full": "Ba8 Mo32 O120",
"formula_reduced": "BaMo4O15",
"formula_anonymous": "AB4C15",
"energy": -1208.26126986,
"energy_per_atom": -7.551632936625,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -1086.47726986,
"band_gap": 1.2307,
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"is_magnetic": true,
"total_magnetization": 16.0066679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.888000Z",
"spacegroup": 60
},
{
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{
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{
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{
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"updated_at": "2021-11-28T01:34:41.301000Z",
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},
{
"id": "mp-720941",
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{
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{
"id": "mp-559104",
"created_at": "2022-09-04T14:46:26.969072Z",
"structure_string": "Pr16 B40 O84\n1.0\n19.686425 0.000000 0.000000\n0.000000 7.222321 0.000000\n0.000000 6.653839 9.598291\nPr B O\n16 40 84\ndirect\n0.917173 0.469807 0.666416 Pr\n0.706558 0.925622 0.176756 Pr\n0.919351 0.995288 0.159651 Pr\n0.700156 0.465406 0.661354 Pr\n0.580649 0.995288 0.659651 Pr\n0.799844 0.465406 0.161354 Pr\n0.200156 0.534594 0.838646 Pr\n0.299844 0.534594 0.338646 Pr\n0.419351 0.004712 0.340349 Pr\n0.417173 0.530193 0.833584 Pr\n0.082827 0.530193 0.333584 Pr\n0.793442 0.925622 0.676756 Pr\n0.582827 0.469807 0.166416 Pr\n0.080649 0.004712 0.840349 Pr\n0.293442 0.074378 0.823244 Pr\n0.206558 0.074378 0.323244 Pr\n0.187321 0.000359 0.045386 B\n0.322823 0.520250 0.045243 B\n0.923118 0.936765 0.860745 B\n0.812679 0.999641 0.954614 B\n0.594903 0.531099 0.443592 B\n0.978909 0.091182 0.602354 B\n0.521091 0.091182 0.102354 B\n0.203055 0.058528 0.619833 B\n0.576882 0.936765 0.360745 B\n0.023679 0.397445 0.899581 B\n0.094903 0.468901 0.056408 B\n0.571207 0.438196 0.866127 B\n0.312679 0.000359 0.545386 B\n0.793175 0.412231 0.878625 B\n0.293175 0.587769 0.621375 B\n0.177177 0.520250 0.545243 B\n0.076882 0.063235 0.139255 B\n0.677177 0.479750 0.954757 B\n0.406051 0.959224 0.055150 B\n0.706825 0.412231 0.378625 B\n0.071207 0.561804 0.633873 B\n0.906051 0.040776 0.444850 B\n0.703055 0.941472 0.880167 B\n0.905097 0.531099 0.943592 B\n0.593949 0.040776 0.944850 B\n0.296945 0.058528 0.119833 B\n0.796945 0.941472 0.380167 B\n0.206825 0.587769 0.121375 B\n0.476321 0.397445 0.399581 B\n0.976321 0.602555 0.100419 B\n0.428793 0.561804 0.133873 B\n0.093949 0.959224 0.555150 B\n0.523679 0.602555 0.600419 B\n0.928793 0.438196 0.366127 B\n0.687321 0.999641 0.454614 B\n0.822823 0.479750 0.454757 B\n0.405097 0.468901 0.556408 B\n0.021091 0.908818 0.397646 B\n0.423118 0.063235 0.639255 B\n0.478909 0.908818 0.897646 B\n0.270245 0.451531 0.138555 O\n0.375233 0.915484 0.626107 O\n0.822453 0.847669 0.103022 O\n0.386884 0.419563 0.097750 O\n0.233581 0.810541 0.079622 O\n0.071350 0.037306 0.416106 O\n0.312194 0.937048 0.257157 O\n0.017744 0.675148 0.528788 O\n0.816092 0.547141 0.735978 O\n0.960509 0.104490 0.724537 O\n0.474361 0.161922 0.526776 O\n0.541512 0.609345 0.726345 O\n0.187806 0.937048 0.757157 O\n0.613116 0.580437 0.902250 O\n0.687806 0.062952 0.742843 O\n0.183908 0.452859 0.264022 O\n0.572157 0.463642 0.584180 O\n0.158822 0.608042 0.019056 O\n0.048254 0.996636 0.638178 O\n0.982256 0.324852 0.471212 O\n0.451746 0.996636 0.138178 O\n0.266419 0.810541 0.579622 O\n0.525639 0.838078 0.473224 O\n0.547901 0.469678 0.372896 O\n0.683908 0.547141 0.235978 O\n0.730604 0.857573 0.418187 O\n0.177547 0.152331 0.896978 O\n0.882404 0.280952 0.365278 O\n0.958488 0.609345 0.226345 O\n0.687357 0.334261 0.094330 O\n0.952099 0.469678 0.872896 O\n0.841178 0.391958 0.980944 O\n0.229755 0.451531 0.638555 O\n0.842961 0.895846 0.481038 O\n0.766419 0.189459 0.920378 O\n0.230604 0.142427 0.081813 O\n0.113116 0.419563 0.597750 O\n0.613488 0.769098 0.355642 O\n0.624767 0.084516 0.373893 O\n0.342961 0.104154 0.018962 O\n0.187357 0.665739 0.405670 O\n0.025639 0.161922 0.026776 O\n0.875233 0.084516 0.873893 O\n0.322453 0.152331 0.396978 O\n0.312643 0.665739 0.905670 O\n0.382404 0.719048 0.134722 O\n0.539491 0.104490 0.224537 O\n0.617596 0.280952 0.865278 O\n0.458488 0.390655 0.273655 O\n0.517744 0.324852 0.971212 O\n0.886512 0.769098 0.855642 O\n0.039491 0.895510 0.275463 O\n0.769396 0.857573 0.918187 O\n0.482256 0.675148 0.028788 O\n0.571350 0.962694 0.083894 O\n0.386512 0.230902 0.644358 O\n0.428650 0.037306 0.916106 O\n0.657039 0.895846 0.981038 O\n0.113488 0.230902 0.144358 O\n0.041512 0.390655 0.773655 O\n0.124767 0.915484 0.126107 O\n0.548254 0.003364 0.861822 O\n0.812643 0.334261 0.594330 O\n0.974361 0.838078 0.973224 O\n0.927843 0.463642 0.084180 O\n0.157039 0.104154 0.518962 O\n0.733581 0.189459 0.420378 O\n0.951746 0.003364 0.361822 O\n0.117596 0.719048 0.634722 O\n0.729755 0.548469 0.861445 O\n0.427843 0.536358 0.415820 O\n0.269396 0.142427 0.581813 O\n0.658822 0.391958 0.480944 O\n0.047901 0.530322 0.127104 O\n0.341178 0.608042 0.519056 O\n0.886884 0.580437 0.402250 O\n0.460509 0.895510 0.775463 O\n0.316092 0.452859 0.764022 O\n0.928650 0.962694 0.583894 O\n0.072157 0.536358 0.915820 O\n0.812194 0.062952 0.242843 O\n0.452099 0.530322 0.627104 O\n0.770245 0.548469 0.361445 O\n0.677547 0.847669 0.603022 O\n",
"nsites": 140,
"nelements": 3,
"elements": [
"Pr",
"B",
"O"
],
"chemical_system": "B-O-Pr",
"density": 4.904727213636135,
"density_atomic": 0.10258656292218098,
"volume": 1364.7011461549766,
"volume_molar": 5.870301712484716,
"formula_full": "Pr16 B40 O84",
"formula_reduced": "Pr4B10O21",
"formula_anonymous": "A4B10C21",
"energy": -1205.7599699,
"energy_per_atom": -8.612571213571428,
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"formation_energy": null,
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"band_gap": 4.990399999999999,
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"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.658000Z",
"spacegroup": 14
},
{
"id": "mp-1247597",
"created_at": "2022-09-04T14:43:10.765401Z",
"structure_string": "Sr4 Ca28 Mn28 Al4 O94\n1.0\n10.835134 -0.000179 -0.046223\n-0.000252 15.121174 -0.001011\n-0.045587 -0.000710 10.717304\nSr Ca Mn Al O\n4 28 28 4 94\ndirect\n0.014156 0.124631 0.500259 Sr\n0.485739 0.375889 0.002667 Sr\n0.239260 0.376757 0.249632 Sr\n0.261302 0.124828 0.251673 Sr\n0.019539 0.119890 0.991553 Ca\n0.023847 0.625483 0.494725 Ca\n0.023131 0.625427 0.996775 Ca\n0.524545 0.128611 0.497012 Ca\n0.525495 0.125420 0.995416 Ca\n0.522949 0.624761 0.495116 Ca\n0.521394 0.625117 0.997557 Ca\n0.477752 0.375051 0.504586 Ca\n0.476246 0.874008 0.002115 Ca\n0.479890 0.870174 0.506494 Ca\n0.974714 0.379305 0.001545 Ca\n0.978283 0.375466 0.503400 Ca\n0.977465 0.874578 0.005965 Ca\n0.974791 0.874837 0.503251 Ca\n0.227170 0.375726 0.745761 Ca\n0.227962 0.874952 0.246282 Ca\n0.228738 0.875008 0.748476 Ca\n0.729295 0.373235 0.245817 Ca\n0.728191 0.374623 0.745576 Ca\n0.731171 0.873428 0.245879 Ca\n0.727134 0.875586 0.744350 Ca\n0.271522 0.125060 0.751098 Ca\n0.273265 0.625767 0.253835 Ca\n0.272862 0.625618 0.754606 Ca\n0.767343 0.121684 0.254530 Ca\n0.772492 0.125060 0.755186 Ca\n0.772242 0.625055 0.254404 Ca\n0.772224 0.625166 0.754915 Ca\n0.001223 0.000839 0.249305 Mn\n0.997393 0.997354 0.753220 Mn\n0.999547 0.499445 0.249744 Mn\n0.999823 0.500626 0.749091 Mn\n0.498341 0.999561 0.747939 Mn\n0.502530 0.502434 0.250691 Mn\n0.500187 0.500616 0.747834 Mn\n0.250887 0.001334 0.001185 Mn\n0.248566 0.499478 0.998480 Mn\n0.249931 0.501408 0.502258 Mn\n0.751071 0.998439 0.996373 Mn\n0.745302 0.999125 0.498136 Mn\n0.751298 0.501768 0.000536 Mn\n0.750424 0.500182 0.500521 Mn\n0.249908 0.248436 0.500692 Mn\n0.249676 0.750101 0.000213 Mn\n0.250906 0.752273 0.499364 Mn\n0.754544 0.249033 0.001928 Mn\n0.747399 0.250571 0.502866 Mn\n0.749905 0.750337 0.999564 Mn\n0.750309 0.749517 0.500421 Mn\n0.001806 0.250146 0.754355 Mn\n0.000127 0.749927 0.249691 Mn\n-0.000008 0.750017 0.749959 Mn\n0.499667 0.246978 0.249479 Mn\n0.502828 0.248330 0.746762 Mn\n0.499920 0.753310 0.251280 Mn\n0.500161 0.749675 0.750589 Mn\n0.515393 0.997443 0.228791 Al\n0.230164 0.994075 0.515635 Al\n0.270262 0.245692 0.982206 Al\n0.982449 0.250323 0.269352 Al\n0.106728 0.268339 0.608506 O\n0.104106 0.770204 0.103085 O\n0.104460 0.771629 0.602875 O\n0.611923 0.264587 0.109738 O\n0.602727 0.268501 0.601057 O\n0.604572 0.772038 0.103982 O\n0.605328 0.769079 0.604760 O\n0.395847 0.233096 0.395963 O\n0.400842 0.228680 0.886452 O\n0.396439 0.730986 0.397408 O\n0.396024 0.730007 0.897015 O\n0.883121 0.233843 0.397038 O\n0.897500 0.231083 0.899167 O\n0.895584 0.729834 0.396771 O\n0.895817 0.728947 0.896673 O\n0.135681 0.237788 0.355943 O\n0.141294 0.232010 0.864431 O\n0.146536 0.730375 0.352918 O\n0.146383 0.729831 0.852789 O\n0.644345 0.229109 0.354689 O\n0.648028 0.230433 0.853391 O\n0.645974 0.730667 0.354010 O\n0.645440 0.729061 0.853780 O\n0.356167 0.262417 0.135671 O\n0.352957 0.267834 0.647422 O\n0.353858 0.770799 0.147230 O\n0.354720 0.771228 0.647137 O\n0.869872 0.270637 0.138631 O\n0.854974 0.270194 0.647758 O\n0.854111 0.770530 0.146309 O\n0.854568 0.771146 0.646797 O\n0.358085 0.487367 0.142172 O\n0.353374 0.481396 0.647859 O\n0.359877 0.981948 0.149057 O\n0.358446 0.980341 0.635410 O\n0.853859 0.479838 0.146365 O\n0.853935 0.479330 0.646885 O\n0.855383 0.980004 0.144995 O\n0.852710 0.980219 0.645929 O\n0.144164 0.011839 0.362152 O\n0.146444 0.018707 0.853608 O\n0.144270 0.521506 0.355454 O\n0.145629 0.520677 0.851873 O\n0.630406 0.020044 0.360019 O\n0.645671 0.020807 0.850743 O\n0.646049 0.521498 0.354789 O\n0.644676 0.520495 0.854507 O\n0.395564 0.020868 0.894976 O\n0.394691 0.519511 0.396063 O\n0.393404 0.519542 0.893741 O\n0.886920 0.017791 0.388832 O\n0.895089 0.017868 0.896688 O\n0.896220 0.518911 0.397155 O\n0.896418 0.519571 0.897559 O\n0.101685 0.482605 0.101789 O\n0.103378 0.480247 0.603938 O\n0.106046 0.981603 0.104873 O\n0.099957 0.978384 0.612822 O\n0.610315 0.484647 0.109200 O\n0.604158 0.481238 0.602191 O\n0.610727 0.978974 0.096995 O\n0.602304 0.978881 0.601711 O\n0.007502 0.372712 0.277056 O\n0.009567 0.375758 0.789195 O\n0.009065 0.874662 0.287999 O\n0.009655 0.873676 0.792596 O\n0.507505 0.374954 0.285177 O\n0.510749 0.374903 0.779095 O\n0.506809 0.880221 0.288332 O\n0.509976 0.874864 0.788805 O\n0.492317 0.119752 0.222627 O\n0.491235 0.124057 0.708100 O\n0.491333 0.627628 0.212903 O\n0.489672 0.625330 0.709847 O\n0.996712 0.130437 0.214543 O\n0.990186 0.124601 0.722634 O\n0.989014 0.624935 0.211240 O\n0.988931 0.625160 0.709661 O\n0.237012 0.128790 0.027758 O\n0.257358 0.118562 0.524501 O\n0.239443 0.625475 0.038173 O\n0.240863 0.626459 0.539762 O\n0.742521 0.124187 0.038690 O\n0.740867 0.124711 0.540380 O\n0.740695 0.626169 0.039350 O\n0.740810 0.625241 0.539855 O\n0.260113 0.375394 0.472478 O\n0.242225 0.369779 0.973616 O\n0.263288 0.878761 0.462662 O\n0.259992 0.875790 0.962266 O\n0.758222 0.375943 0.461772 O\n0.756217 0.375673 0.962114 O\n0.758221 0.874537 0.460402 O\n0.762073 0.874198 0.957778 O\n",
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"elements": [
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"Mn",
"Al",
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],
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"formula_full": "Sr4 Ca28 Mn28 Al4 O94",
"formula_reduced": "Sr2Ca14Mn14Al2O47",
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"updated_at": "2021-11-28T01:36:08.430000Z",
"spacegroup": 1
}
]
}