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{
"id": "mp-1076470",
"created_at": "2022-09-04T14:39:11.172712Z",
"structure_string": "Sr8 Ca24 Co28 Cu4 O80\n1.0\n-0.013917 0.004577 10.716213\n11.109646 0.007145 -0.014290\n-5.537832 15.274013 -5.344924\nSr Ca Co Cu O\n8 24 28 4 80\ndirect\n0.306910 0.562150 0.613950 Sr\n0.808896 0.059101 0.612158 Sr\n0.200842 0.441812 0.891156 Sr\n0.062050 0.300083 0.612738 Sr\n0.056772 0.797585 0.611840 Sr\n0.560148 0.303900 0.614616 Sr\n0.448162 0.199991 0.888549 Sr\n0.945880 0.201696 0.383342 Sr\n0.304099 0.064679 0.109046 Ca\n0.309560 0.062768 0.606541 Ca\n0.305148 0.565895 0.109369 Ca\n0.803641 0.066799 0.106113 Ca\n0.806873 0.564095 0.108367 Ca\n0.806329 0.564590 0.608414 Ca\n0.195344 0.437879 0.390207 Ca\n0.200601 0.933515 0.389001 Ca\n0.198061 0.932550 0.896346 Ca\n0.691520 0.435690 0.389109 Ca\n0.699506 0.438069 0.894221 Ca\n0.694034 0.927419 0.388296 Ca\n0.695710 0.937602 0.891660 Ca\n0.055644 0.294163 0.109219 Ca\n0.056175 0.791403 0.108570 Ca\n0.555857 0.293542 0.109460 Ca\n0.553136 0.793606 0.108963 Ca\n0.553910 0.793926 0.607814 Ca\n0.443953 0.208207 0.388363 Ca\n0.443811 0.705284 0.390592 Ca\n0.444446 0.706293 0.892815 Ca\n0.950207 0.208037 0.895208 Ca\n0.944354 0.702792 0.388675 Ca\n0.950564 0.705871 0.894037 Ca\n0.005616 0.000525 0.001054 Co\n0.002609 0.994308 0.494296 Co\n0.007263 0.499957 0.002782 Co\n0.001055 0.500397 0.498108 Co\n0.503937 0.998251 0.999252 Co\n0.504666 0.997622 0.496808 Co\n0.507914 0.501098 0.002469 Co\n0.503808 0.501765 0.499423 Co\n0.256103 0.251571 0.003062 Co\n0.256579 0.249488 0.499964 Co\n0.255171 0.751274 0.002135 Co\n0.254805 0.751382 0.501222 Co\n0.757526 0.251891 0.002327 Co\n0.750289 0.248261 0.494260 Co\n0.756001 0.748809 0.999228 Co\n0.750222 0.744410 0.494710 Co\n0.109292 0.090502 0.245145 Co\n0.110579 0.090748 0.755266 Co\n0.107466 0.595048 0.249875 Co\n0.604447 0.091886 0.248451 Co\n0.611684 0.092368 0.749164 Co\n0.605443 0.591865 0.247147 Co\n0.356560 0.406056 0.249305 Co\n0.357663 0.904265 0.248447 Co\n0.856676 0.408568 0.248366 Co\n0.861433 0.411373 0.753875 Co\n0.856379 0.901446 0.246312 Co\n0.859021 0.900975 0.754212 Co\n0.103518 0.599520 0.752205 Cu\n0.619163 0.607620 0.753730 Cu\n0.368988 0.409161 0.754045 Cu\n0.359607 0.904370 0.750762 Cu\n0.131840 0.122276 0.487108 O\n0.123448 0.119504 0.988267 O\n0.120521 0.623553 0.484870 O\n0.124346 0.626415 0.993905 O\n0.628348 0.123364 0.485559 O\n0.628875 0.122105 0.991863 O\n0.621778 0.618516 0.486176 O\n0.627830 0.627902 0.991272 O\n0.136542 0.382125 0.017791 O\n0.128997 0.379675 0.503391 O\n0.135507 0.882476 0.015850 O\n0.131610 0.885200 0.505529 O\n0.639641 0.385166 0.016195 O\n0.632026 0.383252 0.509656 O\n0.630473 0.885622 0.013632 O\n0.628906 0.873438 0.506129 O\n0.375322 0.114758 0.483830 O\n0.377991 0.113428 0.994737 O\n0.371399 0.616515 0.484285 O\n0.381008 0.623039 0.994321 O\n0.878666 0.109020 0.487624 O\n0.872569 0.115527 0.987204 O\n0.866792 0.610680 0.484020 O\n0.874023 0.614012 0.986702 O\n0.389933 0.384585 0.018403 O\n0.377094 0.374371 0.502814 O\n0.384455 0.881025 0.015369 O\n0.379700 0.881531 0.508127 O\n0.885569 0.381452 0.012600 O\n0.874677 0.373562 0.504891 O\n0.882119 0.879642 0.013577 O\n0.879298 0.873059 0.503818 O\n0.085754 0.099611 0.137271 O\n0.086521 0.088628 0.643935 O\n0.085661 0.602212 0.142157 O\n0.065349 0.584373 0.632212 O\n0.587005 0.101929 0.142681 O\n0.582660 0.092916 0.638897 O\n0.585405 0.599682 0.139111 O\n0.578870 0.594017 0.635223 O\n0.443850 0.401075 0.357759 O\n0.453023 0.413386 0.870287 O\n0.443552 0.895739 0.355574 O\n0.446153 0.906780 0.866401 O\n0.943257 0.409881 0.357832 O\n0.947102 0.397658 0.859671 O\n0.945219 0.899017 0.356136 O\n0.944724 0.897889 0.863853 O\n0.335200 0.288828 0.142359 O\n0.329121 0.293045 0.635882 O\n0.335675 0.790039 0.140187 O\n0.327791 0.797132 0.633078 O\n0.839579 0.290476 0.142539 O\n0.833814 0.298024 0.643604 O\n0.833435 0.785740 0.138913 O\n0.830059 0.791078 0.643964 O\n0.191190 0.208140 0.352065 O\n0.193255 0.207307 0.862312 O\n0.192691 0.709286 0.358336 O\n0.194486 0.710734 0.869363 O\n0.687786 0.210508 0.357158 O\n0.691213 0.210233 0.856778 O\n0.692574 0.706191 0.354261 O\n0.700885 0.718119 0.867642 O\n0.423418 0.067759 0.249178 O\n0.433333 0.059558 0.741889 O\n0.424713 0.568262 0.249112 O\n0.445911 0.572386 0.759624 O\n0.926294 0.056776 0.239156 O\n0.933024 0.064152 0.759168 O\n0.924405 0.570555 0.248088 O\n0.922522 0.572409 0.752161 O\n0.174918 0.432445 0.249290 O\n0.194510 0.449490 0.750860 O\n0.176191 0.929376 0.247993 O\n0.183188 0.935287 0.761322 O\n0.674417 0.430794 0.248271 O\n0.694025 0.445308 0.759997 O\n0.676170 0.931335 0.249784 O\n0.677166 0.929865 0.750986 O\n",
"nsites": 144,
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"elements": [
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"Ca",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-O-Sr",
"density": 4.424564200242344,
"density_atomic": 0.07915933617642376,
"volume": 1819.1158106614835,
"volume_molar": 7.607619076767334,
"formula_full": "Sr8 Ca24 Co28 Cu4 O80",
"formula_reduced": "Sr2Ca6Co7CuO20",
"formula_anonymous": "AB2C6D7E20",
"energy": -977.70066192,
"energy_per_atom": -6.78958793,
"energy_above_hull": null,
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"energy_uncorrected": -876.87666192,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 91.9536675,
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"updated_at": "2021-11-28T01:34:37.089000Z",
"spacegroup": 1
},
{
"id": "mp-560126",
"created_at": "2022-09-04T14:42:40.221139Z",
"structure_string": "Fe16 P24 O84\n1.0\n21.707913 0.000000 0.000000\n0.000000 7.527398 0.000000\n0.000000 0.022725 9.675594\nFe P O\n16 24 84\ndirect\n0.252548 0.941046 0.777172 Fe\n0.501904 0.960696 0.265536 Fe\n0.747452 0.058954 0.222828 Fe\n0.498096 0.039304 0.734464 Fe\n0.493503 0.552702 0.254972 Fe\n0.247452 0.441046 0.277172 Fe\n0.241117 0.032461 0.292997 Fe\n0.752548 0.558954 0.722828 Fe\n0.758883 0.967539 0.707003 Fe\n0.006497 0.052702 0.754972 Fe\n0.258883 0.532461 0.792997 Fe\n0.993503 0.947298 0.245028 Fe\n0.001904 0.539304 0.234464 Fe\n0.506497 0.447298 0.745028 Fe\n0.998096 0.460696 0.765536 Fe\n0.741117 0.467539 0.207003 Fe\n0.438428 0.250764 0.472320 P\n0.299535 0.237168 0.554471 P\n0.141393 0.238842 0.844279 P\n0.610830 0.262622 0.331883 P\n0.953596 0.248882 0.469065 P\n0.061572 0.750764 0.972320 P\n0.686185 0.767810 0.993893 P\n0.561572 0.749236 0.527680 P\n0.389170 0.737378 0.668117 P\n0.200465 0.737168 0.054471 P\n0.186185 0.732190 0.506107 P\n0.358607 0.738842 0.344279 P\n0.313815 0.232190 0.006107 P\n0.546404 0.748882 0.969065 P\n0.858607 0.761158 0.155721 P\n0.453596 0.251118 0.030935 P\n0.046404 0.751118 0.530935 P\n0.889170 0.762622 0.831883 P\n0.799535 0.262832 0.945529 P\n0.641393 0.261158 0.655721 P\n0.110830 0.237378 0.168117 P\n0.700465 0.762832 0.445529 P\n0.813815 0.267810 0.493893 P\n0.938428 0.249236 0.027680 P\n0.324748 0.570230 0.297850 O\n0.949199 0.079199 0.106635 O\n0.733745 0.760854 0.586858 O\n0.680367 0.092953 0.671452 O\n0.781575 0.100944 0.864239 O\n0.171907 0.234798 0.250697 O\n0.206747 0.574530 0.420775 O\n0.977040 0.253335 0.893408 O\n0.871987 0.788335 0.992588 O\n0.429346 0.579384 0.710333 O\n0.010189 0.610863 0.608770 O\n0.810495 0.089545 0.569245 O\n0.790100 0.440651 0.877027 O\n0.766255 0.260854 0.086858 O\n0.022960 0.746665 0.106592 O\n0.946245 0.419014 0.109476 O\n0.369912 0.259787 0.524103 O\n0.718425 0.600944 0.364239 O\n0.706747 0.925470 0.079225 O\n0.290100 0.059349 0.622973 O\n0.470835 0.250312 0.874358 O\n0.675252 0.429770 0.702150 O\n0.283016 0.238256 0.149918 O\n0.130088 0.759787 0.024103 O\n0.079182 0.253097 0.766509 O\n0.446245 0.080986 0.390524 O\n0.189505 0.910455 0.430755 O\n0.615754 0.813971 0.959413 O\n0.209900 0.559349 0.122973 O\n0.579182 0.246903 0.733491 O\n0.029165 0.750312 0.374358 O\n0.630088 0.740213 0.475897 O\n0.793253 0.425470 0.579225 O\n0.578329 0.082540 0.318250 O\n0.420818 0.753097 0.266509 O\n0.828093 0.765202 0.749303 O\n0.671907 0.265202 0.249303 O\n0.510189 0.889137 0.891230 O\n0.529165 0.749688 0.125642 O\n0.929346 0.920616 0.789667 O\n0.266255 0.239146 0.413142 O\n0.869912 0.240213 0.975897 O\n0.078329 0.417460 0.181750 O\n0.989811 0.389137 0.391230 O\n0.449199 0.420801 0.393365 O\n0.319633 0.907047 0.328548 O\n0.175252 0.070230 0.797850 O\n0.921671 0.582540 0.818250 O\n0.570654 0.420616 0.289667 O\n0.824748 0.929770 0.202150 O\n0.689505 0.589545 0.069245 O\n0.042136 0.935171 0.594042 O\n0.180367 0.407047 0.828548 O\n0.233745 0.739146 0.913142 O\n0.709900 0.940651 0.377027 O\n0.281575 0.399056 0.635761 O\n0.550801 0.579199 0.606635 O\n0.957864 0.064829 0.405958 O\n0.489811 0.110863 0.108770 O\n0.477040 0.246665 0.606592 O\n0.293253 0.074530 0.920775 O\n0.421671 0.917460 0.681750 O\n0.522960 0.753335 0.393408 O\n0.884246 0.313971 0.459413 O\n0.920818 0.746903 0.233491 O\n0.310495 0.410455 0.930755 O\n0.128013 0.211665 0.007412 O\n0.553755 0.919014 0.609476 O\n0.216984 0.738256 0.649918 O\n0.218425 0.899056 0.135761 O\n0.970835 0.249688 0.625642 O\n0.716984 0.761744 0.850082 O\n0.819633 0.592953 0.171452 O\n0.115754 0.686029 0.540587 O\n0.371987 0.711665 0.507412 O\n0.053755 0.580986 0.890524 O\n0.783016 0.261744 0.350082 O\n0.328093 0.734798 0.750697 O\n0.542136 0.564829 0.905958 O\n0.384246 0.186029 0.040587 O\n0.050801 0.920801 0.893365 O\n0.070654 0.079384 0.210333 O\n0.457864 0.435171 0.094042 O\n0.628013 0.288335 0.492588 O\n",
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"elements": [
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"chemical_system": "Fe-O-P",
"density": 3.1307411265453724,
"density_atomic": 0.07842979808709169,
"volume": 1581.0317382470535,
"volume_molar": 7.678383607863897,
"formula_full": "Fe16 P24 O84",
"formula_reduced": "Fe4(P2O7)3",
"formula_anonymous": "A4B6C21",
"energy": -977.2690637,
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"updated_at": "2021-11-28T01:35:51.928000Z",
"spacegroup": 14
},
{
"id": "mp-850293",
"created_at": "2022-09-04T14:41:23.645450Z",
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"structure_string": "Zn6 Fe48 O72\n1.0\n5.263525 0.003187 3.041440\n1.755918 4.968373 3.044240\n0.073885 0.082846 54.614735\nZn Fe O\n6 48 72\ndirect\n0.997083 0.999602 0.000544 Zn\n0.246362 0.246293 0.029017 Zn\n0.005506 0.007135 0.109197 Zn\n0.002130 0.997004 0.222101 Zn\n0.999150 0.004309 0.776822 Zn\n0.000675 0.001631 0.888554 Zn\n0.129709 0.626641 0.068743 Fe\n0.624735 0.620865 0.014208 Fe\n0.252650 0.249277 0.138263 Fe\n0.625948 0.126445 0.069257 Fe\n0.124347 0.626414 0.180038 Fe\n0.627229 0.626098 0.068620 Fe\n0.626489 0.629024 0.124229 Fe\n0.248186 0.252472 0.250211 Fe\n0.627786 0.124812 0.179886 Fe\n0.998371 0.996273 0.333624 Fe\n0.118957 0.626839 0.292136 Fe\n0.627686 0.625775 0.180138 Fe\n0.628050 0.624380 0.235588 Fe\n0.249585 0.248073 0.361871 Fe\n0.995791 0.000864 0.444175 Fe\n0.622816 0.124921 0.292014 Fe\n0.125492 0.624988 0.402508 Fe\n0.624915 0.626595 0.292281 Fe\n0.622861 0.628066 0.347188 Fe\n0.254379 0.250459 0.472342 Fe\n0.623942 0.125924 0.402823 Fe\n0.125849 0.625467 0.513682 Fe\n0.623310 0.624532 0.403173 Fe\n0.625739 0.621638 0.458717 Fe\n0.625932 0.125421 0.513684 Fe\n0.250056 0.250007 0.583204 Fe\n0.999057 0.003225 0.666770 Fe\n0.123844 0.624134 0.625381 Fe\n0.626801 0.625787 0.512786 Fe\n0.628817 0.628248 0.568548 Fe\n0.000892 0.000888 0.555492 Fe\n0.624064 0.121804 0.625533 Fe\n0.250413 0.244441 0.695280 Fe\n0.624794 0.625349 0.625055 Fe\n0.124524 0.624782 0.735908 Fe\n0.618152 0.624675 0.681139 Fe\n0.254483 0.253847 0.804742 Fe\n0.623670 0.124628 0.736478 Fe\n0.124854 0.627316 0.846970 Fe\n0.624639 0.621734 0.736545 Fe\n0.630868 0.624287 0.791182 Fe\n0.247520 0.247091 0.917563 Fe\n0.626494 0.124260 0.847032 Fe\n0.625766 0.627486 0.846970 Fe\n0.117289 0.623950 0.959324 Fe\n0.627111 0.626637 0.902154 Fe\n0.623689 0.118153 0.959209 Fe\n0.623816 0.624485 0.959376 Fe\n0.380369 0.376775 0.044140 O\n0.376682 0.847054 0.044519 O\n0.387390 0.386411 0.093333 O\n0.847443 0.373904 0.044600 O\n0.385036 0.385643 0.154732 O\n0.406909 0.864287 0.096474 O\n0.864575 0.866036 0.045145 O\n0.382949 0.836304 0.155269 O\n0.862148 0.408886 0.096645 O\n0.380579 0.379387 0.206721 O\n0.835831 0.384805 0.154954 O\n0.861515 0.863297 0.096635 O\n0.375325 0.394687 0.263648 O\n0.408281 0.864425 0.207119 O\n0.865156 0.864698 0.155982 O\n0.864150 0.404806 0.207468 O\n0.383456 0.851382 0.264625 O\n0.377021 0.391052 0.317166 O\n0.857673 0.395835 0.263591 O\n0.863538 0.864542 0.207071 O\n0.388335 0.371184 0.375557 O\n0.384923 0.861942 0.318652 O\n0.876693 0.390374 0.317474 O\n0.868628 0.854926 0.267489 O\n0.388392 0.864273 0.375429 O\n0.395500 0.375853 0.427990 O\n0.856606 0.377725 0.376340 O\n0.884121 0.862496 0.318336 O\n0.379769 0.382161 0.486173 O\n0.392116 0.878576 0.428066 O\n0.867030 0.387774 0.428754 O\n0.855017 0.876338 0.376930 O\n0.384243 0.864186 0.487703 O\n0.383767 0.381649 0.540653 O\n0.867089 0.384122 0.487519 O\n0.864642 0.880308 0.428827 O\n0.382526 0.383598 0.598353 O\n0.392236 0.853078 0.542128 O\n0.865576 0.866976 0.487456 O\n0.853144 0.392155 0.542145 O\n0.376042 0.855413 0.597168 O\n0.375236 0.375085 0.650664 O\n0.855979 0.374407 0.597146 O\n0.863132 0.861635 0.543350 O\n0.388146 0.362540 0.709332 O\n0.386017 0.886583 0.651144 O\n0.875203 0.875033 0.599430 O\n0.392403 0.861523 0.709013 O\n0.882087 0.391495 0.651331 O\n0.394234 0.383983 0.759403 O\n0.859584 0.373717 0.710350 O\n0.878791 0.877016 0.650282 O\n0.381892 0.384338 0.822102 O\n0.405369 0.862996 0.763046 O\n0.862846 0.871620 0.710190 O\n0.845759 0.402953 0.764112 O\n0.384679 0.835843 0.821619 O\n0.378985 0.378661 0.873844 O\n0.838312 0.383874 0.821759 O\n0.849284 0.872604 0.763710 O\n0.386037 0.386070 0.930474 O\n0.407095 0.864109 0.873859 O\n0.864901 0.864501 0.822962 O\n0.863569 0.407542 0.873896 O\n0.385343 0.853560 0.930479 O\n0.387036 0.387163 0.982002 O\n0.853557 0.385211 0.930510 O\n0.863899 0.864165 0.873913 O\n0.401482 0.876400 0.982942 O\n0.865428 0.866343 0.933697 O\n0.876947 0.401897 0.982644 O\n0.871070 0.872364 0.983537 O\n",
"nsites": 126,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 4.920100724535945,
"density_atomic": 0.08836325993006555,
"volume": 1425.9320004685405,
"volume_molar": 6.815208905563441,
"formula_full": "Zn6 Fe48 O72",
"formula_reduced": "Zn(Fe2O3)4",
"formula_anonymous": "AB8C12",
"energy": -975.38840045,
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"is_stable": null,
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"formation_energy": null,
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"band_gap": 0.4520999999999997,
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"total_magnetization": 176.5610171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.589000Z",
"spacegroup": 1
},
{
"id": "mp-1099952",
"created_at": "2022-09-04T14:45:59.489864Z",
"structure_string": "Ca28 Mg4 Co28 Cu4 O80\n1.0\n-0.030040 -0.043764 10.656230\n11.022482 0.000855 -0.030741\n-5.495081 14.781470 -5.373809\nCa Mg Co Cu O\n28 4 28 4 80\ndirect\n0.302127 0.062379 0.609648 Ca\n0.305822 0.561827 0.608214 Ca\n0.807859 0.068398 0.608662 Ca\n0.804695 0.565421 0.106880 Ca\n0.805187 0.563816 0.608504 Ca\n0.194753 0.431089 0.389679 Ca\n0.204876 0.438687 0.891779 Ca\n0.193765 0.933688 0.386859 Ca\n0.200174 0.936605 0.896417 Ca\n0.696178 0.435674 0.391706 Ca\n0.692502 0.441821 0.890044 Ca\n0.695225 0.935069 0.389328 Ca\n0.694932 0.936950 0.894287 Ca\n0.051054 0.289200 0.109933 Ca\n0.059035 0.296531 0.608313 Ca\n0.056738 0.790515 0.608089 Ca\n0.554672 0.290922 0.108784 Ca\n0.556498 0.303051 0.611156 Ca\n0.557084 0.791389 0.106556 Ca\n0.549489 0.790202 0.608696 Ca\n0.447244 0.203920 0.386505 Ca\n0.445527 0.207014 0.888921 Ca\n0.443005 0.703244 0.385256 Ca\n0.447277 0.697988 0.889144 Ca\n0.947407 0.203292 0.388423 Ca\n0.944506 0.206597 0.891638 Ca\n0.943891 0.706577 0.389372 Ca\n0.951042 0.706864 0.898162 Ca\n0.285427 0.068943 0.113554 Mg\n0.297848 0.567286 0.105462 Mg\n0.785897 0.073367 0.112470 Mg\n0.028744 0.787914 0.114095 Mg\n0.008409 0.999282 0.005574 Co\n0.004487 0.999652 0.498782 Co\n0.010883 0.504404 0.005181 Co\n0.005035 0.500260 0.500174 Co\n0.505345 0.996756 0.999737 Co\n0.505864 0.001789 0.501362 Co\n0.509074 0.503317 0.003479 Co\n0.503730 0.499926 0.499049 Co\n0.258861 0.252097 0.005012 Co\n0.255895 0.247929 0.500036 Co\n0.258733 0.752543 0.005127 Co\n0.252779 0.748786 0.498459 Co\n0.756660 0.249044 0.000905 Co\n0.755110 0.249597 0.498424 Co\n0.761549 0.756002 0.003694 Co\n0.753482 0.750999 0.500122 Co\n0.098665 0.083805 0.240458 Co\n0.108634 0.092615 0.752310 Co\n0.109071 0.596627 0.249430 Co\n0.601764 0.092239 0.246631 Co\n0.613489 0.094727 0.750335 Co\n0.599637 0.590636 0.242974 Co\n0.356164 0.401640 0.244130 Co\n0.344765 0.895978 0.237927 Co\n0.856581 0.401135 0.248694 Co\n0.865241 0.408649 0.751197 Co\n0.854490 0.908235 0.244018 Co\n0.861362 0.905117 0.754920 Co\n0.105404 0.599283 0.752799 Cu\n0.614703 0.607546 0.755094 Cu\n0.358941 0.407158 0.750601 Cu\n0.356010 0.900760 0.749998 Cu\n0.124083 0.118488 0.484763 O\n0.117872 0.114794 0.985062 O\n0.119817 0.617832 0.480395 O\n0.131242 0.615542 0.993309 O\n0.620892 0.118437 0.481064 O\n0.619892 0.118578 0.987674 O\n0.620939 0.623473 0.487668 O\n0.623492 0.622244 0.985192 O\n0.154227 0.386771 0.029683 O\n0.134260 0.378983 0.509635 O\n0.152742 0.891999 0.027400 O\n0.134261 0.876287 0.510763 O\n0.637492 0.378421 0.014482 O\n0.636665 0.378138 0.512260 O\n0.657485 0.894933 0.028305 O\n0.628791 0.883739 0.508837 O\n0.376770 0.111480 0.486270 O\n0.370852 0.126050 0.985251 O\n0.367537 0.616773 0.481396 O\n0.376302 0.619851 0.987896 O\n0.871074 0.118100 0.483218 O\n0.871412 0.113442 0.989849 O\n0.870849 0.615726 0.484367 O\n0.874571 0.620401 0.987844 O\n0.391348 0.404348 0.027866 O\n0.381727 0.374842 0.504596 O\n0.391234 0.897566 0.023647 O\n0.384650 0.881882 0.514767 O\n0.895694 0.387390 0.016815 O\n0.884247 0.380834 0.511167 O\n0.908092 0.887417 0.034861 O\n0.881553 0.881560 0.510400 O\n0.103398 0.102368 0.136879 O\n0.087803 0.103760 0.642721 O\n0.088799 0.623232 0.144061 O\n0.083127 0.593062 0.633900 O\n0.610832 0.109850 0.145555 O\n0.595145 0.107792 0.640577 O\n0.597750 0.601594 0.136752 O\n0.575957 0.593381 0.634973 O\n0.446222 0.401337 0.356392 O\n0.445114 0.408078 0.871511 O\n0.430870 0.895147 0.350653 O\n0.446876 0.896627 0.866777 O\n0.943189 0.397146 0.360413 O\n0.959906 0.396971 0.861101 O\n0.945449 0.897210 0.353015 O\n0.943138 0.900768 0.870366 O\n0.342728 0.264363 0.143116 O\n0.334753 0.287503 0.633679 O\n0.343705 0.767422 0.135308 O\n0.324026 0.784438 0.630147 O\n0.838395 0.272594 0.142665 O\n0.838571 0.291016 0.636883 O\n0.841973 0.783576 0.136657 O\n0.839737 0.788390 0.645599 O\n0.187205 0.199156 0.352681 O\n0.198634 0.217164 0.862062 O\n0.194817 0.713334 0.361948 O\n0.194882 0.714818 0.875252 O\n0.684164 0.209707 0.360364 O\n0.703186 0.217517 0.860343 O\n0.681175 0.710555 0.353793 O\n0.702884 0.721115 0.874959 O\n0.411981 0.059125 0.234017 O\n0.435716 0.066157 0.750535 O\n0.410437 0.562027 0.231762 O\n0.434120 0.568168 0.750220 O\n0.912898 0.068847 0.235249 O\n0.925626 0.067558 0.751741 O\n0.927233 0.562501 0.247286 O\n0.923009 0.573686 0.753400 O\n0.176696 0.434412 0.247959 O\n0.181931 0.437403 0.750424 O\n0.157438 0.916129 0.233350 O\n0.166543 0.928859 0.752617 O\n0.675676 0.433345 0.249118 O\n0.691507 0.435816 0.752074 O\n0.675007 0.932220 0.247777 O\n0.678412 0.931666 0.751498 O\n",
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"elements": [
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"Mg",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-Mg-O",
"density": 4.217982842335511,
"density_atomic": 0.08306221155019651,
"volume": 1733.6403318972227,
"volume_molar": 7.250157017984857,
"formula_full": "Ca28 Mg4 Co28 Cu4 O80",
"formula_reduced": "Ca7MgCo7CuO20",
"formula_anonymous": "ABC7D7E20",
"energy": -974.86489592,
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"updated_at": "2021-11-28T01:37:16.984000Z",
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},
{
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"elements": [
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],
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"formula_full": "Ca8 Mg16 S24 O96",
"formula_reduced": "CaMg2(SO4)3",
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"updated_at": "2021-11-28T01:36:23.402000Z",
"spacegroup": 4
},
{
"id": "mp-649186",
"created_at": "2022-09-04T14:40:53.924835Z",
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"formula_full": "Os20 C46 S4 O46",
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"updated_at": "2021-11-28T01:35:24.475000Z",
"spacegroup": 15
}
]
}