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{
"id": "mp-1223358",
"created_at": "2022-09-04T14:40:24.525012Z",
"structure_string": "Mn26 As18 C1 O57\n1.0\n6.839961 -11.847160 0.000000\n6.839961 11.847160 0.000000\n0.000000 0.000000 9.001435\nMn As C O\n26 18 1 57\ndirect\n0.988245 0.748416 0.348977 Mn\n0.251584 0.239829 0.348977 Mn\n0.760171 0.011755 0.348977 Mn\n0.345051 0.918527 0.650160 Mn\n0.081473 0.426524 0.650160 Mn\n0.573476 0.654949 0.650160 Mn\n0.492128 0.494499 0.304127 Mn\n0.505501 0.997629 0.304127 Mn\n0.002371 0.507872 0.304127 Mn\n0.841054 0.172527 0.696546 Mn\n0.827473 0.668527 0.696546 Mn\n0.331473 0.158946 0.696546 Mn\n0.000000 0.000000 0.297523 Mn\n0.333333 0.666667 0.701180 Mn\n0.660218 0.577561 0.003129 Mn\n0.422439 0.082657 0.003129 Mn\n0.917343 0.339782 0.003129 Mn\n0.667706 0.087527 0.996497 Mn\n0.912473 0.580178 0.996497 Mn\n0.419822 0.332294 0.996497 Mn\n0.747021 0.743094 0.309226 Mn\n0.256906 0.003927 0.309226 Mn\n0.996073 0.252979 0.309226 Mn\n0.586358 0.923506 0.690282 Mn\n0.076494 0.662852 0.690282 Mn\n0.337148 0.413642 0.690282 Mn\n0.761560 0.523815 0.347543 As\n0.476185 0.237745 0.347543 As\n0.762255 0.238440 0.347543 As\n0.572222 0.143153 0.652659 As\n0.856847 0.429069 0.652659 As\n0.570931 0.427778 0.652659 As\n0.251373 0.502528 0.377308 As\n0.497472 0.748845 0.377308 As\n0.251155 0.748627 0.377308 As\n0.081402 0.163894 0.622421 As\n0.836106 0.917508 0.622421 As\n0.082492 0.918598 0.622421 As\n0.861811 0.817709 0.012248 As\n0.182291 0.044102 0.012248 As\n0.955898 0.138189 0.012248 As\n0.470848 0.844659 0.986789 As\n0.155341 0.626188 0.986789 As\n0.373812 0.529152 0.986789 As\n0.666667 0.333333 0.999820 C\n0.100275 0.420280 0.374186 O\n0.579720 0.679995 0.374186 O\n0.320005 0.899725 0.374186 O\n0.232363 0.245909 0.627132 O\n0.754091 0.986454 0.627132 O\n0.013546 0.767637 0.627132 O\n0.720683 0.753679 0.076328 O\n0.246321 0.967005 0.076328 O\n0.032995 0.279317 0.076328 O\n0.612251 0.912871 0.922746 O\n0.087129 0.699380 0.922746 O\n0.300620 0.387749 0.922746 O\n0.671691 0.555844 0.238783 O\n0.444156 0.115847 0.238783 O\n0.884153 0.328309 0.238783 O\n0.662609 0.111029 0.760356 O\n0.888971 0.551579 0.760356 O\n0.448421 0.337391 0.760356 O\n0.923249 0.828921 0.197040 O\n0.171079 0.094328 0.197040 O\n0.905672 0.076751 0.197040 O\n0.409644 0.836987 0.802561 O\n0.163013 0.572657 0.802561 O\n0.427343 0.590356 0.802561 O\n0.841272 0.681800 0.942068 O\n0.318200 0.159472 0.942068 O\n0.840528 0.158728 0.942068 O\n0.486629 0.976653 0.062217 O\n0.023347 0.509976 0.062217 O\n0.490024 0.513371 0.062217 O\n0.258677 0.500089 0.580233 O\n0.499911 0.758588 0.580233 O\n0.241412 0.741323 0.580233 O\n0.074533 0.166641 0.419484 O\n0.833359 0.907893 0.419484 O\n0.092107 0.925467 0.419484 O\n0.815334 0.653825 0.454910 O\n0.346175 0.161509 0.454910 O\n0.838491 0.184666 0.454910 O\n0.518602 0.013290 0.544927 O\n0.986710 0.505312 0.544927 O\n0.494688 0.481398 0.544927 O\n0.302408 0.410750 0.328638 O\n0.589250 0.891658 0.328638 O\n0.108342 0.697592 0.328638 O\n0.030277 0.255558 0.671757 O\n0.744442 0.774720 0.671757 O\n0.225280 0.969723 0.671757 O\n0.889159 0.579540 0.235903 O\n0.420460 0.309619 0.235903 O\n0.690381 0.110841 0.235903 O\n0.444167 0.086733 0.763188 O\n0.913267 0.357435 0.763188 O\n0.642565 0.555833 0.763188 O\n0.609496 0.386080 0.999858 O\n0.613920 0.223416 0.999858 O\n0.776584 0.390504 0.999858 O\n",
"nsites": 102,
"nelements": 4,
"elements": [
"Mn",
"As",
"C",
"O"
],
"chemical_system": "As-C-Mn-O",
"density": 4.212629019117109,
"density_atomic": 0.06991824957571549,
"volume": 1458.8465903961555,
"volume_molar": 8.613117171187955,
"formula_full": "Mn26 As18 C1 O57",
"formula_reduced": "Mn26As18CO57",
"formula_anonymous": "AB18C26D57",
"energy": -805.30466547,
"energy_per_atom": -7.895143779117648,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -722.77766547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 126.1797505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.307000Z",
"spacegroup": 143
},
{
"id": "mp-683944",
"created_at": "2022-09-04T14:40:11.415821Z",
"structure_string": "Pr8 Fe56 B4\n1.0\n8.750665 0.000000 0.000000\n0.000000 8.750665 0.000000\n0.000000 0.000000 12.612425\nPr Fe B\n8 56 4\ndirect\n0.241782 0.241782 0.000000 Pr\n0.258218 0.741782 0.500000 Pr\n0.679993 0.679993 0.500000 Pr\n0.758218 0.758218 0.000000 Pr\n0.320007 0.320007 0.500000 Pr\n0.179993 0.820007 0.000000 Pr\n0.741782 0.258218 0.500000 Pr\n0.820007 0.179993 0.000000 Pr\n0.474819 0.856417 0.678063 Fe\n0.474819 0.856417 0.321937 Fe\n0.304887 0.304887 0.250108 Fe\n0.143583 0.525181 0.321937 Fe\n0.732447 0.958660 0.614464 Fe\n0.695113 0.695113 0.250108 Fe\n0.000000 0.000000 0.101151 Fe\n0.856417 0.474819 0.321937 Fe\n0.767553 0.458660 0.885536 Fe\n0.602595 0.397405 0.744922 Fe\n0.267553 0.041340 0.385536 Fe\n0.974819 0.643583 0.821937 Fe\n0.732447 0.958660 0.385536 Fe\n0.143583 0.525181 0.678063 Fe\n0.897405 0.897405 0.755078 Fe\n0.856417 0.474819 0.678063 Fe\n0.500000 0.500000 0.398849 Fe\n0.304887 0.304887 0.749892 Fe\n0.500000 0.500000 0.601151 Fe\n0.267553 0.041340 0.614464 Fe\n0.541340 0.232447 0.885536 Fe\n0.458660 0.767553 0.885536 Fe\n0.102595 0.102595 0.755078 Fe\n0.541340 0.232447 0.114464 Fe\n0.767553 0.458660 0.114464 Fe\n0.041340 0.267553 0.385536 Fe\n0.102595 0.102595 0.244922 Fe\n0.025181 0.356417 0.821937 Fe\n0.897405 0.897405 0.244922 Fe\n0.356417 0.025181 0.178063 Fe\n0.458660 0.767553 0.114464 Fe\n0.602595 0.397405 0.255078 Fe\n0.695113 0.695113 0.749892 Fe\n0.804887 0.195113 0.750108 Fe\n0.232447 0.541340 0.114464 Fe\n0.025181 0.356417 0.178063 Fe\n0.643583 0.974819 0.178063 Fe\n0.397405 0.602595 0.255078 Fe\n0.958660 0.732447 0.614464 Fe\n0.500000 0.000000 0.000000 Fe\n0.804887 0.195113 0.249892 Fe\n0.041340 0.267553 0.614464 Fe\n0.525181 0.143583 0.678063 Fe\n0.643583 0.974819 0.821937 Fe\n0.000000 0.000000 0.898849 Fe\n0.958660 0.732447 0.385536 Fe\n0.525181 0.143583 0.321937 Fe\n0.974819 0.643583 0.178063 Fe\n0.195113 0.804887 0.249892 Fe\n0.195113 0.804887 0.750108 Fe\n0.000000 0.500000 0.000000 Fe\n0.397405 0.602595 0.744922 Fe\n0.356417 0.025181 0.821937 Fe\n0.000000 0.500000 0.500000 Fe\n0.232447 0.541340 0.885536 Fe\n0.500000 0.000000 0.500000 Fe\n0.603731 0.396269 0.000000 B\n0.396269 0.603731 0.000000 B\n0.896269 0.896269 0.500000 B\n0.103731 0.103731 0.500000 B\n",
"nsites": 68,
"nelements": 3,
"elements": [
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"Fe",
"B"
],
"chemical_system": "B-Fe-Pr",
"density": 7.38953537397537,
"density_atomic": 0.07040900380999923,
"volume": 965.7855717359671,
"volume_molar": 8.553083319075105,
"formula_full": "Pr8 Fe56 B4",
"formula_reduced": "Pr2Fe14B",
"formula_anonymous": "AB2C14",
"energy": -524.45823942,
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:56.793000Z",
"spacegroup": 136
},
{
"id": "mp-1076502",
"created_at": "2022-09-04T14:43:20.506105Z",
"structure_string": "Sr16 Ca16 Fe12 Co20 O80\n1.0\n0.018480 -0.008169 10.775164\n11.230821 -0.003312 0.018703\n-5.629296 15.675813 -5.408225\nSr Ca Fe Co O\n16 16 12 20 80\ndirect\n0.307083 0.561796 0.611093 Sr\n0.807853 0.067648 0.608743 Sr\n0.806170 0.564041 0.611662 Sr\n0.189312 0.432425 0.383191 Sr\n0.197896 0.438577 0.896078 Sr\n0.694383 0.434833 0.382434 Sr\n0.694770 0.933840 0.384968 Sr\n0.703236 0.939307 0.895219 Sr\n0.060005 0.293673 0.610144 Sr\n0.056334 0.797523 0.610334 Sr\n0.561801 0.299474 0.610539 Sr\n0.553757 0.797703 0.609674 Sr\n0.447787 0.199903 0.385302 Sr\n0.450956 0.204144 0.894018 Sr\n0.946578 0.199278 0.384446 Sr\n0.950254 0.205108 0.895453 Sr\n0.307834 0.069720 0.105098 Ca\n0.307051 0.065553 0.606122 Ca\n0.302108 0.565906 0.108974 Ca\n0.807185 0.070872 0.106757 Ca\n0.804005 0.563040 0.109932 Ca\n0.197235 0.927229 0.387491 Ca\n0.202586 0.935995 0.898264 Ca\n0.696158 0.435175 0.899070 Ca\n0.054329 0.291478 0.107117 Ca\n0.051692 0.789443 0.108204 Ca\n0.552449 0.292364 0.106152 Ca\n0.553151 0.786465 0.104916 Ca\n0.440738 0.710320 0.387189 Ca\n0.446717 0.715059 0.896941 Ca\n0.940116 0.702171 0.387405 Ca\n0.949581 0.715217 0.898584 Ca\n0.113675 0.089859 0.754760 Fe\n0.109347 0.597309 0.755640 Fe\n0.603883 0.083777 0.242009 Fe\n0.605172 0.095055 0.750598 Fe\n0.609684 0.593948 0.757966 Fe\n0.353081 0.413645 0.245027 Fe\n0.362069 0.411862 0.755168 Fe\n0.348438 0.904115 0.244651 Fe\n0.356515 0.907537 0.752273 Fe\n0.858231 0.417067 0.759074 Fe\n0.858540 0.901920 0.243256 Fe\n0.861599 0.908424 0.752437 Fe\n0.012013 0.001841 0.005529 Co\n0.003365 0.994687 0.493197 Co\n0.004541 0.501240 0.002744 Co\n0.001794 0.499260 0.499014 Co\n0.511873 0.003546 0.006454 Co\n0.502770 0.999153 0.496892 Co\n0.506444 0.501485 0.003029 Co\n0.500620 0.494875 0.490675 Co\n0.259005 0.252443 0.005254 Co\n0.255481 0.245651 0.497019 Co\n0.258753 0.753159 0.005635 Co\n0.250378 0.747108 0.495174 Co\n0.758964 0.255208 0.006407 Co\n0.754092 0.248928 0.494261 Co\n0.758334 0.749234 0.003090 Co\n0.749817 0.749056 0.497141 Co\n0.107550 0.088550 0.245121 Co\n0.103115 0.595968 0.246157 Co\n0.606222 0.593989 0.245174 Co\n0.854748 0.408327 0.244907 Co\n0.126812 0.105118 0.489596 O\n0.130196 0.116405 0.994153 O\n0.112554 0.614741 0.486471 O\n0.120112 0.626079 0.994029 O\n0.626391 0.122349 0.488732 O\n0.630105 0.123831 0.996668 O\n0.610945 0.618983 0.487894 O\n0.620172 0.619274 0.988863 O\n0.137698 0.382534 0.020413 O\n0.131760 0.374174 0.505753 O\n0.143527 0.875930 0.013640 O\n0.133476 0.863701 0.500825 O\n0.638540 0.383649 0.017878 O\n0.635835 0.376090 0.505596 O\n0.643538 0.873695 0.015408 O\n0.624769 0.876734 0.501688 O\n0.376459 0.112911 0.489085 O\n0.375575 0.116579 0.992379 O\n0.363430 0.626808 0.486634 O\n0.373371 0.628303 0.993414 O\n0.875526 0.122929 0.489591 O\n0.881316 0.123320 0.998264 O\n0.869698 0.621406 0.487367 O\n0.869941 0.622525 0.990157 O\n0.387624 0.389831 0.017286 O\n0.385333 0.385566 0.502746 O\n0.393748 0.885776 0.017118 O\n0.377970 0.883064 0.507429 O\n0.884053 0.388868 0.015670 O\n0.883897 0.381956 0.503636 O\n0.895611 0.885847 0.018542 O\n0.886293 0.881953 0.502191 O\n0.097187 0.103797 0.143924 O\n0.096282 0.088509 0.643514 O\n0.082853 0.604857 0.141687 O\n0.077479 0.594097 0.641918 O\n0.592926 0.107080 0.139918 O\n0.583819 0.094758 0.639778 O\n0.586236 0.604683 0.140856 O\n0.582264 0.594917 0.646240 O\n0.436203 0.404567 0.355306 O\n0.448685 0.403927 0.863894 O\n0.436151 0.898469 0.355045 O\n0.450352 0.898930 0.860807 O\n0.932064 0.403165 0.352153 O\n0.946533 0.404556 0.866010 O\n0.945105 0.896730 0.354945 O\n0.950953 0.898582 0.861376 O\n0.341988 0.288996 0.140144 O\n0.337178 0.293549 0.644568 O\n0.335499 0.782053 0.138920 O\n0.325498 0.792773 0.641162 O\n0.844231 0.293605 0.142204 O\n0.837924 0.304795 0.648604 O\n0.840706 0.777972 0.137386 O\n0.829394 0.797616 0.640023 O\n0.185679 0.196185 0.353148 O\n0.194073 0.207591 0.864892 O\n0.194180 0.704321 0.353658 O\n0.205135 0.715345 0.863184 O\n0.687993 0.198383 0.352652 O\n0.688110 0.212171 0.861382 O\n0.693241 0.696258 0.353811 O\n0.706969 0.710936 0.865238 O\n0.422374 0.056907 0.238721 O\n0.423260 0.062865 0.744823 O\n0.424227 0.573032 0.247769 O\n0.431080 0.574853 0.760752 O\n0.923249 0.057576 0.238353 O\n0.933535 0.065031 0.751466 O\n0.924456 0.571232 0.248898 O\n0.933075 0.577043 0.762654 O\n0.171726 0.433193 0.239594 O\n0.182679 0.439315 0.753729 O\n0.169940 0.924878 0.246521 O\n0.181543 0.932590 0.761030 O\n0.671686 0.431342 0.237872 O\n0.678624 0.435598 0.761415 O\n0.676069 0.924906 0.238441 O\n0.684082 0.941035 0.753254 O\n",
"nsites": 144,
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"elements": [
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"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.528937617529501,
"density_atomic": 0.07593772940673711,
"volume": 1896.2905676137384,
"volume_molar": 7.9303671666876605,
"formula_full": "Sr16 Ca16 Fe12 Co20 O80",
"formula_reduced": "Sr4Ca4Fe3(CoO4)5",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1018.62306138,
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"updated_at": "2021-11-28T01:36:08.582000Z",
"spacegroup": 1
},
{
"id": "mp-1199729",
"created_at": "2022-09-04T14:39:40.326792Z",
"structure_string": "Li18 Mn36 O72\n1.0\n-0.000000 -0.000000 8.385543\n12.647236 -0.000000 4.192772\n-0.000000 12.677033 4.192772\nLi Mn O\n18 36 72\ndirect\n0.125000 0.750000 0.750000 Li\n0.875000 0.250000 0.250000 Li\n0.461393 0.750000 0.077214 Li\n0.788607 0.750000 0.422786 Li\n0.538607 0.250000 0.922786 Li\n0.211393 0.250000 0.577214 Li\n0.455712 0.088575 0.750000 Li\n0.794288 0.411425 0.750000 Li\n0.544288 0.911425 0.250000 Li\n0.205712 0.588575 0.250000 Li\n0.793446 0.083988 0.090788 Li\n0.122567 0.083988 0.409212 Li\n0.115766 0.416013 0.090788 Li\n0.468222 0.416013 0.409212 Li\n0.206554 0.916013 0.909212 Li\n0.877433 0.916013 0.590788 Li\n0.884234 0.583987 0.909212 Li\n0.531778 0.583987 0.590788 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.833536 0.662397 0.669555 Mn\n0.504067 0.662397 0.830445 Mn\n0.496909 0.837603 0.669555 Mn\n0.665488 0.837603 0.830445 Mn\n0.166464 0.337603 0.330445 Mn\n0.495933 0.337603 0.169555 Mn\n0.503091 0.162397 0.330445 Mn\n0.334512 0.162397 0.169555 Mn\n0.835944 0.667104 0.160943 Mn\n0.496952 0.667104 0.339057 Mn\n0.003113 0.832896 0.160943 Mn\n0.163991 0.832896 0.339057 Mn\n0.164056 0.332896 0.839057 Mn\n0.503048 0.332896 0.660943 Mn\n0.996887 0.167104 0.839057 Mn\n0.836009 0.167104 0.660943 Mn\n0.834325 0.004799 0.835885 Mn\n0.160876 0.004799 0.664115 Mn\n0.329790 0.495201 0.835885 Mn\n0.175009 0.495201 0.664115 Mn\n0.165675 0.995201 0.164115 Mn\n0.839124 0.995201 0.335885 Mn\n0.670210 0.504799 0.164115 Mn\n0.824991 0.504799 0.335885 Mn\n0.843491 0.833863 0.990511 Mn\n0.322647 0.833863 0.509489 Mn\n0.165999 0.666137 0.990511 Mn\n0.167864 0.666137 0.509489 Mn\n0.156509 0.166137 0.009489 Mn\n0.677353 0.166137 0.490511 Mn\n0.834001 0.333863 0.009489 Mn\n0.832136 0.333863 0.490511 Mn\n0.895687 0.848541 0.837355 O\n0.255772 0.848541 0.662645 O\n0.266958 0.651459 0.837355 O\n0.081583 0.651459 0.662645 O\n0.104313 0.151459 0.162645 O\n0.744228 0.151459 0.337355 O\n0.733042 0.348541 0.162645 O\n0.918417 0.348541 0.337355 O\n0.935829 0.656575 0.514005 O\n0.407596 0.656575 0.985995 O\n0.550167 0.843425 0.514005 O\n0.606408 0.843425 0.985995 O\n0.064171 0.343425 0.485995 O\n0.592404 0.343425 0.014005 O\n0.449833 0.156575 0.485995 O\n0.393592 0.156575 0.014005 O\n0.608916 0.656474 0.163979 O\n0.734609 0.656474 0.336021 O\n0.227104 0.843526 0.163979 O\n0.929370 0.843526 0.336021 O\n0.391084 0.343526 0.836021 O\n0.265391 0.343526 0.663979 O\n0.772896 0.156474 0.836021 O\n0.070630 0.156474 0.663979 O\n0.599009 0.005610 0.846031 O\n0.395380 0.005610 0.653969 O\n0.554959 0.494390 0.846031 O\n0.950651 0.494390 0.653969 O\n0.400991 0.994390 0.153969 O\n0.604620 0.994390 0.346031 O\n0.445041 0.505610 0.153969 O\n0.049349 0.505610 0.346031 O\n0.249986 0.512938 0.512898 O\n0.237076 0.512938 0.987102 O\n0.237116 0.987062 0.512898 O\n0.775822 0.987062 0.987102 O\n0.750014 0.487062 0.487102 O\n0.762924 0.487062 0.012898 O\n0.762884 0.012938 0.487102 O\n0.224178 0.012938 0.012898 O\n0.916332 0.010097 0.681185 O\n0.073571 0.010097 0.818815 O\n0.402483 0.489903 0.681185 O\n0.107614 0.489903 0.818815 O\n0.083668 0.989903 0.318815 O\n0.926429 0.989903 0.181185 O\n0.597517 0.510097 0.318815 O\n0.892386 0.510097 0.181185 O\n0.779509 0.825915 0.145955 O\n0.394576 0.825915 0.354045 O\n0.074536 0.674085 0.145955 O\n0.251380 0.674085 0.354045 O\n0.220491 0.174085 0.854045 O\n0.605424 0.174085 0.645955 O\n0.925464 0.325915 0.854045 O\n0.748620 0.325915 0.645955 O\n0.930350 0.681447 0.989252 O\n0.388203 0.681447 0.510748 O\n0.080397 0.818553 0.989252 O\n0.101049 0.818553 0.510748 O\n0.069650 0.318553 0.010748 O\n0.611797 0.318553 0.489252 O\n0.919603 0.181447 0.010748 O\n0.898951 0.181447 0.489252 O\n0.738727 0.668084 0.822626 O\n0.593189 0.668084 0.677374 O\n0.438647 0.831916 0.822626 O\n0.729437 0.831916 0.677374 O\n0.261273 0.331916 0.177374 O\n0.406811 0.331916 0.322626 O\n0.561353 0.168084 0.177374 O\n0.270563 0.168084 0.322626 O\n",
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"elements": [
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"formula_full": "Li18 Mn36 O72",
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"updated_at": "2021-11-28T01:34:33.511000Z",
"spacegroup": 70
},
{
"id": "mp-1097058",
"created_at": "2022-09-04T14:48:22.451515Z",
"structure_string": "Li18 Mn36 O72\n1.0\n8.268102 -0.000429 2.727338\n4.135481 12.360145 1.358037\n0.233496 -0.005726 13.201542\nLi Mn O\n18 36 72\ndirect\n0.788621 0.750195 0.419766 Li\n0.462856 0.749526 0.079537 Li\n0.205070 0.915644 0.913074 Li\n0.795119 0.082372 0.085232 Li\n0.882562 0.916286 0.586403 Li\n0.206892 0.585930 0.249803 Li\n0.457882 0.085655 0.749638 Li\n0.876554 0.250962 0.251240 Li\n0.542084 0.250556 0.918831 Li\n0.792841 0.413237 0.750719 Li\n0.544422 0.913183 0.250847 Li\n0.116319 0.416402 0.085879 Li\n0.467004 0.415820 0.413942 Li\n0.209526 0.249622 0.580866 Li\n0.884601 0.582942 0.913919 Li\n0.536690 0.583448 0.586381 Li\n0.122992 0.750278 0.750503 Li\n0.117952 0.082736 0.414706 Li\n0.828712 0.334377 0.497190 Mn\n0.995466 0.168675 0.834868 Mn\n0.168234 0.830705 0.333525 Mn\n0.672194 0.502197 0.164537 Mn\n0.162861 0.166261 0.003186 Mn\n0.167412 0.997307 0.166253 Mn\n0.503099 0.668828 0.335963 Mn\n0.168188 0.666682 0.504681 Mn\n0.505256 0.165735 0.330874 Mn\n0.169252 0.330886 0.834032 Mn\n0.001763 0.831209 0.165718 Mn\n0.841686 0.834054 0.995545 Mn\n0.675376 0.164855 0.496825 Mn\n0.330767 0.498023 0.833955 Mn\n0.504811 0.332129 0.168306 Mn\n0.837137 0.334037 0.004065 Mn\n0.324520 0.834306 0.505223 Mn\n0.998272 0.499827 0.499608 Mn\n0.825212 0.502233 0.335784 Mn\n0.838569 0.666236 0.669456 Mn\n0.325393 0.166612 0.169124 Mn\n0.160803 0.331897 0.330705 Mn\n0.496213 0.832137 0.668383 Mn\n0.500265 0.500578 0.000568 Mn\n0.677962 0.831093 0.830594 Mn\n0.503329 0.999521 0.998797 Mn\n0.499700 0.000279 0.500734 Mn\n0.499960 0.665745 0.831153 Mn\n0.168729 0.497491 0.667157 Mn\n0.162808 0.002311 0.665575 Mn\n0.829110 0.668859 0.164714 Mn\n0.163893 0.665489 0.994780 Mn\n0.838928 0.997820 0.334383 Mn\n0.835567 0.169276 0.666348 Mn\n0.500734 0.331140 0.666031 Mn\n0.836767 0.002259 0.834663 Mn\n0.548895 0.168838 0.171978 O\n0.392537 0.006831 0.159108 O\n0.762866 0.823634 0.150165 O\n0.241721 0.843894 0.172942 O\n0.247102 0.509209 0.988225 O\n0.066846 0.824300 0.005346 O\n0.762695 0.157279 0.827870 O\n0.756543 0.008306 0.488822 O\n0.761170 0.324787 0.651721 O\n0.614218 0.840637 0.988120 O\n0.424556 0.322756 0.322225 O\n0.888070 0.510714 0.177658 O\n0.605102 0.006092 0.340963 O\n0.926043 0.010687 0.676960 O\n0.764725 0.990728 0.989101 O\n0.935007 0.176195 0.000962 O\n0.609985 0.669390 0.672139 O\n0.053281 0.494437 0.340969 O\n0.940950 0.506571 0.659708 O\n0.236306 0.010165 0.012251 O\n0.071591 0.323870 0.995970 O\n0.898007 0.346813 0.343364 O\n0.758414 0.153087 0.341646 O\n0.452566 0.496119 0.158808 O\n0.754779 0.490482 0.489906 O\n0.390425 0.159096 0.010844 O\n0.591538 0.174141 0.651605 O\n0.753285 0.821154 0.675167 O\n0.938221 0.992051 0.176633 O\n0.549846 0.505691 0.841178 O\n0.250314 0.673783 0.349283 O\n0.546389 0.840753 0.511506 O\n0.414716 0.342668 0.824406 O\n0.599679 0.656525 0.167114 O\n0.383702 0.677339 0.506273 O\n0.602183 0.340589 0.011607 O\n0.397667 0.659163 0.990175 O\n0.074518 0.657295 0.661505 O\n0.755676 0.489893 0.010489 O\n0.244161 0.845519 0.658652 O\n0.064605 0.010876 0.823692 O\n0.234034 0.174294 0.849494 O\n0.106324 0.157040 0.160641 O\n0.454746 0.159047 0.490048 O\n0.935798 0.677626 0.996167 O\n0.251669 0.653766 0.840096 O\n0.939745 0.659195 0.510798 O\n0.920084 0.841781 0.323648 O\n0.108814 0.824244 0.496027 O\n0.601045 0.511055 0.322870 O\n0.412633 0.823568 0.350378 O\n0.075780 0.673237 0.151414 O\n0.112742 0.489372 0.824017 O\n0.743952 0.656824 0.333462 O\n0.240561 0.510643 0.513064 O\n0.915622 0.323692 0.849338 O\n0.057026 0.341121 0.489089 O\n0.752917 0.671412 0.822486 O\n0.605119 0.323608 0.505439 O\n0.245106 0.990688 0.511130 O\n0.075928 0.988733 0.323566 O\n0.912830 0.847032 0.842160 O\n0.890377 0.176416 0.503146 O\n0.251704 0.172735 0.322009 O\n0.433123 0.823019 0.822454 O\n0.752744 0.345209 0.158050 O\n0.393857 0.491886 0.676498 O\n0.252343 0.321717 0.174744 O\n0.395151 0.994749 0.659310 O\n0.083167 0.156475 0.672149 O\n0.240885 0.344548 0.673868 O\n0.612084 0.994032 0.840400 O\n",
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"formula_full": "Li18 Mn36 O72",
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},
{
"id": "mp-685970",
"created_at": "2022-09-04T14:47:04.530161Z",
"structure_string": "Ce14 Gd18 O55\n1.0\n8.978535 -0.005747 -3.176948\n-4.474113 7.709541 -3.119873\n-0.025613 0.095093 18.988881\nCe Gd O\n14 18 55\ndirect\n0.496387 0.247587 0.873588 Ce\n0.489733 0.737768 0.620833 Ce\n0.724451 0.481976 0.616376 Ce\n0.758884 0.754451 0.502676 Ce\n0.495403 0.248197 0.371533 Ce\n0.702214 0.232782 0.740160 Ce\n0.485326 0.996002 0.496123 Ce\n0.759086 0.008247 0.874450 Ce\n0.978552 0.250187 0.615630 Ce\n0.755042 0.756336 0.005506 Ce\n0.706945 0.239087 0.241953 Ce\n0.490398 0.994038 0.001290 Ce\n0.758314 0.009344 0.375864 Ce\n0.982454 0.254150 0.117811 Ce\n0.006388 0.772549 0.890568 Gd\n0.240152 0.973640 0.625463 Gd\n0.010096 0.777688 0.390356 Gd\n0.294116 0.523402 0.871335 Gd\n0.275231 0.752056 0.753166 Gd\n0.245891 0.233055 0.989132 Gd\n0.242267 0.961878 0.124849 Gd\n0.533319 0.526938 0.760445 Gd\n0.270270 0.739119 0.248097 Gd\n0.293872 0.525618 0.383276 Gd\n0.243032 0.247888 0.482773 Gd\n0.528184 0.525217 0.260377 Gd\n0.529322 0.766409 0.137183 Gd\n0.715310 0.478185 0.117166 Gd\n0.001175 0.504425 0.512672 Gd\n0.008164 0.001819 0.247168 Gd\n0.003674 0.007631 0.750834 Gd\n0.975609 0.501384 0.014984 Gd\n0.231665 0.979708 0.755509 O\n0.231950 0.743709 0.872075 O\n0.227155 0.278464 0.873494 O\n0.009903 0.034159 0.630047 O\n0.242714 0.465260 0.736664 O\n0.016057 0.250953 0.508416 O\n0.257157 0.740511 0.629466 O\n0.223949 0.957008 0.244268 O\n0.741934 0.008288 0.000069 O\n0.235965 0.745329 0.373593 O\n0.524525 0.762956 0.751625 O\n0.520734 0.513863 0.877841 O\n0.485764 0.226544 0.989947 O\n0.235365 0.508640 0.488921 O\n0.520375 0.760029 0.506283 O\n0.248701 0.258260 0.362833 O\n0.480381 0.476875 0.620234 O\n0.474456 0.242655 0.740712 O\n0.010624 0.035501 0.128653 O\n0.235816 0.458683 0.237484 O\n0.254507 0.024970 0.512949 O\n0.517053 0.008588 0.871547 O\n0.761609 0.776543 0.885645 O\n0.017427 0.260122 0.005321 O\n0.253596 0.713286 0.114549 O\n0.759436 0.278432 0.873493 O\n0.987193 0.733569 -0.000254 O\n0.488115 0.984037 0.622419 O\n0.744325 0.013681 0.499623 O\n0.781991 0.513716 0.761465 O\n0.528315 0.769571 0.259269 O\n0.998288 0.979998 0.863083 O\n0.524587 0.518229 0.381057 O\n0.492514 0.239514 0.492492 O\n0.765485 0.744415 0.638192 O\n0.735896 0.495175 0.502077 O\n0.499675 0.743317 0.002615 O\n0.465588 0.476984 0.117393 O\n0.473198 0.241834 0.241234 O\n0.742837 0.239812 0.627831 O\n0.249889 0.016799 0.012911 O\n0.775200 0.042242 0.752816 O\n0.766459 0.778151 0.387878 O\n0.510961 0.011021 0.374377 O\n0.985968 0.510596 0.634282 O\n0.763261 0.279126 0.374564 O\n0.995256 0.735668 0.499581 O\n0.493745 0.994466 0.124788 O\n0.777482 0.515308 0.261641 O\n0.001540 0.987146 0.363613 O\n0.772635 0.749423 0.134607 O\n0.723899 0.487799 0.998169 O\n0.748253 0.237261 0.129985 O\n0.775607 0.039296 0.252031 O\n0.985560 0.511458 0.135888 O\n",
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},
{
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"elements": [
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"chemical_system": "B-Fe-La",
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"formula_full": "La8 Fe56 B4",
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"energy_uncorrected": -542.85631612,
"band_gap": 0.0,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.033000Z",
"spacegroup": 136
},
{
"id": "mp-1220544",
"created_at": "2022-09-04T14:46:07.628046Z",
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"updated_at": "2021-11-28T01:37:21.799000Z",
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}
]
}