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"results": [
{
"id": "mp-1076198",
"created_at": "2022-09-04T14:43:16.406619Z",
"structure_string": "Sr8 Ca24 Fe12 Co20 O80\n1.0\n-0.040781 0.007927 10.718755\n11.194135 0.012154 -0.041864\n-5.560044 15.331999 -5.327344\nSr Ca Fe Co O\n8 24 12 20 80\ndirect\n0.306980 0.562749 0.608888 Sr\n0.806569 0.063462 0.608633 Sr\n0.199649 0.438414 0.895654 Sr\n0.056291 0.292515 0.607902 Sr\n0.055469 0.795973 0.609478 Sr\n0.557598 0.297019 0.609271 Sr\n0.450385 0.205558 0.893768 Sr\n0.944546 0.201933 0.385297 Sr\n0.302300 0.067084 0.107190 Ca\n0.306969 0.066428 0.604940 Ca\n0.305883 0.567671 0.108911 Ca\n0.806614 0.069152 0.105797 Ca\n0.806332 0.564933 0.108029 Ca\n0.802910 0.566529 0.606902 Ca\n0.192321 0.431800 0.388571 Ca\n0.195827 0.930766 0.388540 Ca\n0.196633 0.932406 0.897861 Ca\n0.695234 0.433813 0.389079 Ca\n0.701228 0.434793 0.897920 Ca\n0.695399 0.930599 0.390371 Ca\n0.700035 0.935774 0.895986 Ca\n0.054089 0.293469 0.108275 Ca\n0.050999 0.791070 0.106746 Ca\n0.555635 0.294762 0.110702 Ca\n0.554142 0.788015 0.106775 Ca\n0.556873 0.789979 0.606701 Ca\n0.447076 0.208867 0.390037 Ca\n0.447547 0.709472 0.388977 Ca\n0.449826 0.712322 0.897099 Ca\n0.950177 0.211193 0.897421 Ca\n0.942562 0.703309 0.387354 Ca\n0.948824 0.711861 0.897448 Ca\n0.107995 0.088706 0.754449 Fe\n0.104978 0.596239 0.752195 Fe\n0.603620 0.090223 0.250194 Fe\n0.606026 0.089072 0.749760 Fe\n0.611787 0.598268 0.754499 Fe\n0.354490 0.410377 0.249294 Fe\n0.361553 0.412190 0.753614 Fe\n0.352414 0.908466 0.248326 Fe\n0.360042 0.908031 0.751564 Fe\n0.854954 0.412424 0.752508 Fe\n0.855998 0.904412 0.247129 Fe\n0.854484 0.906026 0.753679 Fe\n0.006410 0.000356 0.001011 Co\n0.002256 0.996621 0.494746 Co\n0.006405 0.501223 0.002772 Co\n0.999543 0.497993 0.495727 Co\n0.509213 0.001437 0.004333 Co\n0.504257 0.999329 0.495118 Co\n0.508756 0.501350 0.002972 Co\n0.504949 0.494842 0.492683 Co\n0.257232 0.251853 0.004658 Co\n0.253239 0.246461 0.495152 Co\n0.257920 0.752708 0.004625 Co\n0.255259 0.748358 0.496497 Co\n0.757807 0.251731 0.002138 Co\n0.751960 0.249070 0.494757 Co\n0.757169 0.750813 0.001783 Co\n0.752024 0.746262 0.495656 Co\n0.108556 0.092726 0.246042 Co\n0.106262 0.594660 0.248950 Co\n0.608411 0.593774 0.248267 Co\n0.855761 0.408128 0.247735 Co\n0.124818 0.111012 0.489142 O\n0.124768 0.120287 0.989169 O\n0.115377 0.612307 0.483695 O\n0.123587 0.627908 0.992990 O\n0.618675 0.116993 0.482708 O\n0.629539 0.121907 0.992328 O\n0.617904 0.616705 0.486700 O\n0.624273 0.623499 0.988525 O\n0.136372 0.383272 0.019184 O\n0.135435 0.371117 0.503697 O\n0.138615 0.883861 0.016574 O\n0.141776 0.870571 0.505637 O\n0.640365 0.384503 0.017499 O\n0.640995 0.379618 0.510690 O\n0.633983 0.885825 0.013941 O\n0.635226 0.869621 0.506674 O\n0.366669 0.119164 0.482507 O\n0.378947 0.109120 0.993798 O\n0.367928 0.624653 0.484114 O\n0.379603 0.621766 0.993101 O\n0.864269 0.115107 0.482410 O\n0.874078 0.116549 0.987967 O\n0.864786 0.619268 0.484046 O\n0.873764 0.615791 0.987408 O\n0.389554 0.384248 0.019133 O\n0.383497 0.383268 0.502065 O\n0.388713 0.880864 0.016224 O\n0.390539 0.887779 0.509127 O\n0.886915 0.382119 0.014537 O\n0.881166 0.384893 0.506592 O\n0.887240 0.884190 0.015766 O\n0.885911 0.879202 0.502421 O\n0.088073 0.103571 0.140390 O\n0.084404 0.087742 0.639992 O\n0.085596 0.603377 0.142420 O\n0.078357 0.593673 0.638041 O\n0.591541 0.105690 0.143075 O\n0.583979 0.094832 0.638057 O\n0.588798 0.602063 0.141641 O\n0.585633 0.599893 0.640331 O\n0.449339 0.396902 0.358705 O\n0.450079 0.404918 0.863782 O\n0.446074 0.896718 0.357901 O\n0.455417 0.899725 0.861279 O\n0.941553 0.405322 0.356709 O\n0.944409 0.395289 0.859940 O\n0.950633 0.896527 0.358157 O\n0.949182 0.895653 0.862551 O\n0.337818 0.285475 0.142083 O\n0.334921 0.290516 0.642649 O\n0.340287 0.787000 0.141002 O\n0.336592 0.792337 0.639129 O\n0.839764 0.291011 0.142891 O\n0.827431 0.297144 0.637593 O\n0.835687 0.782462 0.139351 O\n0.831816 0.788763 0.642251 O\n0.191617 0.208683 0.352306 O\n0.194831 0.208532 0.863013 O\n0.196736 0.710149 0.355652 O\n0.198422 0.713617 0.862291 O\n0.689539 0.212779 0.362376 O\n0.693988 0.211615 0.859201 O\n0.694047 0.709475 0.354400 O\n0.702958 0.718983 0.862533 O\n0.421956 0.069278 0.248995 O\n0.422115 0.065712 0.744229 O\n0.425147 0.569626 0.249511 O\n0.433031 0.574342 0.758043 O\n0.924278 0.059026 0.240657 O\n0.927954 0.067509 0.757586 O\n0.924218 0.569725 0.248378 O\n0.923873 0.573044 0.752742 O\n0.173737 0.432266 0.249693 O\n0.181059 0.440007 0.751399 O\n0.172352 0.929499 0.248098 O\n0.182805 0.933023 0.759573 O\n0.673913 0.432297 0.249075 O\n0.678575 0.439061 0.758849 O\n0.675387 0.932129 0.250418 O\n0.672144 0.928213 0.751336 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": 4.322325824779365,
"density_atomic": 0.07822605640275453,
"volume": 1840.8188603884348,
"volume_molar": 7.6983821464735716,
"formula_full": "Sr8 Ca24 Fe12 Co20 O80",
"formula_reduced": "Sr2Ca6Fe3(CoO4)5",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1022.44755528,
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"updated_at": "2021-11-28T01:36:10.499000Z",
"spacegroup": 1
},
{
"id": "mp-698680",
"created_at": "2022-09-04T14:45:26.792349Z",
"structure_string": "Fe21 Ni9 O40\n1.0\n-6.742814 6.742814 4.291801\n6.742814 -6.742814 4.291801\n6.742814 6.742814 -4.291801\nFe Ni O\n21 9 40\ndirect\n0.572617 0.521285 0.347727 Fe\n0.374930 0.124647 0.750950 Fe\n0.973325 0.822873 0.550226 Fe\n0.974704 0.825955 0.048486 Fe\n0.177127 0.727353 0.150452 Fe\n0.775109 0.427383 0.948668 Fe\n0.875353 0.626303 0.250283 Fe\n0.772642 0.422443 0.448423 Fe\n0.577557 0.025981 0.350199 Fe\n0.974019 0.324219 0.551577 Fe\n0.675781 0.227358 0.649801 Fe\n0.576901 0.026675 0.849548 Fe\n0.376020 0.625070 0.749717 Fe\n0.777469 0.926219 0.951514 Fe\n0.478715 0.826441 0.051332 Fe\n0.373697 0.623980 0.249050 Fe\n0.174045 0.222531 0.148750 Fe\n0.250000 0.750000 0.500000 Fe\n0.272647 0.423099 0.449774 Fe\n0.173559 0.224891 0.652273 Fe\n0.073781 0.025296 0.851250 Fe\n0.298971 0.099679 0.400791 Ni\n0.101820 0.701029 0.800708 Ni\n0.900321 0.301112 0.199292 Ni\n0.652396 0.550506 0.702289 Ni\n0.698888 0.898180 0.599209 Ni\n0.449494 0.151783 0.101890 Ni\n0.500000 0.500000 0.000000 Ni\n0.049893 0.347604 0.898110 Ni\n0.848217 0.950107 0.297711 Ni\n0.215942 0.066605 0.561845 O\n0.313374 0.258682 0.837839 O\n0.127001 0.887989 0.745649 O\n0.206149 0.070514 0.044007 O\n0.014757 0.672184 0.960816 O\n0.112011 0.857660 0.239012 O\n0.741318 0.579157 0.054692 O\n0.933395 0.495240 0.149337 O\n0.818120 0.755225 0.349741 O\n0.637585 0.391170 0.258572 O\n0.000187 0.664739 0.443966 O\n0.728872 0.574369 0.537141 O\n0.819269 0.271876 0.360844 O\n0.911032 0.458425 0.639156 O\n0.541575 0.180731 0.452607 O\n0.728124 0.088968 0.547393 O\n0.620987 0.362415 0.753585 O\n0.443779 0.999813 0.664552 O\n0.808268 0.271128 0.845497 O\n0.531621 0.181880 0.937105 O\n0.618648 0.872999 0.760988 O\n0.711368 0.053941 0.039184 O\n0.345903 0.784058 0.850663 O\n0.524465 0.686626 0.945308 O\n0.425631 0.962772 0.154503 O\n0.244775 0.594516 0.062895 O\n0.608830 0.867402 0.246415 O\n0.335261 0.779228 0.335448 O\n0.420843 0.475535 0.162161 O\n0.504760 0.654097 0.438155 O\n0.142340 0.381352 0.254351 O\n0.327816 0.288632 0.342573 O\n0.220772 0.556221 0.556034 O\n0.037228 0.191732 0.462859 O\n0.405484 0.468379 0.650259 O\n0.132598 0.379013 0.741428 O\n0.946059 0.985243 0.657427 O\n0.026507 0.162142 0.955993 O\n0.837858 0.793851 0.864365 O\n0.929486 0.973493 0.135635 O\n",
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"elements": [
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],
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"density": 4.9803682932695965,
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"volume": 780.5162111130679,
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"formula_full": "Fe21 Ni9 O40",
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"energy": -531.89682226,
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"updated_at": "2021-11-28T01:36:56.683000Z",
"spacegroup": 82
},
{
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"created_at": "2022-09-04T14:45:07.730257Z",
"structure_string": "Nd8 Fe56 C4\n1.0\n8.769637 0.000000 0.000000\n0.000000 8.769637 0.000000\n0.000000 0.000000 11.940582\nNd Fe C\n8 56 4\ndirect\n0.238113 0.761887 0.500000 Nd\n0.761887 0.238113 0.500000 Nd\n0.261887 0.261887 0.000000 Nd\n0.738113 0.738113 0.000000 Nd\n0.642540 0.642540 0.500000 Nd\n0.357460 0.357460 0.500000 Nd\n0.857460 0.142540 0.000000 Nd\n0.142540 0.857460 0.000000 Nd\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.106545 Fe\n0.000000 0.000000 0.606545 Fe\n0.500000 0.500000 0.893455 Fe\n0.000000 0.000000 0.393455 Fe\n0.182331 0.817669 0.255050 Fe\n0.817669 0.182331 0.255050 Fe\n0.317669 0.317669 0.755050 Fe\n0.682331 0.682331 0.755050 Fe\n0.817669 0.182331 0.744950 Fe\n0.182331 0.817669 0.744950 Fe\n0.682331 0.682331 0.244950 Fe\n0.317669 0.317669 0.244950 Fe\n0.402070 0.597930 0.291722 Fe\n0.597930 0.402070 0.291722 Fe\n0.097930 0.097930 0.791722 Fe\n0.902070 0.902070 0.791722 Fe\n0.597930 0.402070 0.708278 Fe\n0.402070 0.597930 0.708278 Fe\n0.902070 0.902070 0.208278 Fe\n0.097930 0.097930 0.208278 Fe\n0.140440 0.536559 0.323169 Fe\n0.859560 0.463441 0.323169 Fe\n0.359560 0.036559 0.823169 Fe\n0.640440 0.963441 0.823169 Fe\n0.859560 0.463441 0.676831 Fe\n0.140440 0.536559 0.676831 Fe\n0.640440 0.963441 0.176831 Fe\n0.359560 0.036559 0.176831 Fe\n0.536559 0.140440 0.323169 Fe\n0.463441 0.859560 0.323169 Fe\n0.036559 0.359560 0.823169 Fe\n0.963441 0.640440 0.823169 Fe\n0.463441 0.859560 0.676831 Fe\n0.536559 0.140440 0.676831 Fe\n0.963441 0.640440 0.176831 Fe\n0.036559 0.359560 0.176831 Fe\n0.933700 0.725462 0.378668 Fe\n0.066300 0.274538 0.378668 Fe\n0.566300 0.225462 0.878668 Fe\n0.433700 0.774538 0.878668 Fe\n0.066300 0.274538 0.621332 Fe\n0.933700 0.725462 0.621332 Fe\n0.433700 0.774538 0.121332 Fe\n0.566300 0.225462 0.121332 Fe\n0.725462 0.933700 0.378668 Fe\n0.274538 0.066300 0.378668 Fe\n0.225462 0.566300 0.878668 Fe\n0.774538 0.433700 0.878668 Fe\n0.274538 0.066300 0.621332 Fe\n0.725462 0.933700 0.621332 Fe\n0.774538 0.433700 0.121332 Fe\n0.225462 0.566300 0.121332 Fe\n0.874339 0.874339 0.500000 C\n0.125661 0.125661 0.500000 C\n0.625661 0.374339 0.000000 C\n0.374339 0.625661 0.000000 C\n",
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"elements": [
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],
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"formula_full": "Nd8 Fe56 C4",
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"energy": -550.2573821,
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"updated_at": "2021-11-28T01:36:49.764000Z",
"spacegroup": 136
},
{
"id": "mp-1200780",
"created_at": "2022-09-04T14:45:28.353138Z",
"structure_string": "Pr8 Fe56 C4\n1.0\n8.776590 0.000000 0.000000\n0.000000 8.776590 0.000000\n0.000000 0.000000 11.966742\nPr Fe C\n8 56 4\ndirect\n0.239005 0.760995 0.500000 Pr\n0.760995 0.239005 0.500000 Pr\n0.260995 0.260995 0.000000 Pr\n0.739005 0.739005 0.000000 Pr\n0.642489 0.642489 0.500000 Pr\n0.357511 0.357511 0.500000 Pr\n0.857511 0.142489 0.000000 Pr\n0.142489 0.857511 0.000000 Pr\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.106609 Fe\n0.000000 0.000000 0.606609 Fe\n0.500000 0.500000 0.893391 Fe\n0.000000 0.000000 0.393391 Fe\n0.183071 0.816929 0.254847 Fe\n0.816929 0.183071 0.254847 Fe\n0.316929 0.316929 0.754847 Fe\n0.683071 0.683071 0.754847 Fe\n0.816929 0.183071 0.745153 Fe\n0.183071 0.816929 0.745153 Fe\n0.683071 0.683071 0.245153 Fe\n0.316929 0.316929 0.245153 Fe\n0.401825 0.598175 0.291028 Fe\n0.598175 0.401825 0.291028 Fe\n0.098175 0.098175 0.791028 Fe\n0.901825 0.901825 0.791028 Fe\n0.598175 0.401825 0.708972 Fe\n0.401825 0.598175 0.708972 Fe\n0.901825 0.901825 0.208972 Fe\n0.098175 0.098175 0.208972 Fe\n0.139924 0.536114 0.322528 Fe\n0.860076 0.463886 0.322528 Fe\n0.360076 0.036114 0.822528 Fe\n0.639924 0.963886 0.822528 Fe\n0.860076 0.463886 0.677472 Fe\n0.139924 0.536114 0.677472 Fe\n0.639924 0.963886 0.177472 Fe\n0.360076 0.036114 0.177472 Fe\n0.536114 0.139924 0.322528 Fe\n0.463886 0.860076 0.322528 Fe\n0.036114 0.360076 0.822528 Fe\n0.963886 0.639924 0.822528 Fe\n0.463886 0.860076 0.677472 Fe\n0.536114 0.139924 0.677472 Fe\n0.963886 0.639924 0.177472 Fe\n0.036114 0.360076 0.177472 Fe\n0.933712 0.725462 0.378963 Fe\n0.066288 0.274538 0.378963 Fe\n0.566288 0.225462 0.878963 Fe\n0.433712 0.774538 0.878963 Fe\n0.066288 0.274538 0.621037 Fe\n0.933712 0.725462 0.621037 Fe\n0.433712 0.774538 0.121037 Fe\n0.566288 0.225462 0.121037 Fe\n0.725462 0.933712 0.378963 Fe\n0.274538 0.066288 0.378963 Fe\n0.225462 0.566288 0.878963 Fe\n0.774538 0.433712 0.878963 Fe\n0.274538 0.066288 0.621037 Fe\n0.725462 0.933712 0.621037 Fe\n0.774538 0.433712 0.121037 Fe\n0.225462 0.566288 0.121037 Fe\n0.875035 0.875035 0.500000 C\n0.124965 0.124965 0.500000 C\n0.624965 0.375035 0.000000 C\n0.375035 0.624965 0.000000 C\n",
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"formula_full": "Pr8 Fe56 C4",
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},
{
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