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{
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{
"id": "mp-1202301",
"created_at": "2022-09-04T14:40:07.413009Z",
"structure_string": "P4 H72 Pt4 C24 S12 Cl4 F24\n1.0\n25.112824 0.000000 0.000000\n0.000000 8.747135 0.000000\n0.000000 2.113189 8.564123\nP H Pt C S Cl F\n4 72 4 24 12 4 24\ndirect\n0.337890 0.985719 0.024295 P\n0.837890 0.514281 0.975705 P\n0.662110 0.014281 0.975705 P\n0.162110 0.485719 0.024295 P\n0.489420 0.046186 0.659241 H\n0.989420 0.453814 0.340759 H\n0.510580 0.953814 0.340759 H\n0.010580 0.546186 0.659241 H\n0.527707 0.064689 0.825985 H\n0.027707 0.435311 0.174015 H\n0.472293 0.935311 0.174015 H\n0.972293 0.564689 0.825985 H\n0.455582 0.058081 0.836320 H\n0.955582 0.441919 0.163680 H\n0.544418 0.941919 0.163680 H\n0.044418 0.558081 0.836320 H\n0.502813 0.490968 0.845896 H\n0.002813 0.009032 0.154104 H\n0.497187 0.509032 0.154104 H\n0.997187 0.990968 0.845896 H\n0.463758 0.324606 0.949001 H\n0.963758 0.175394 0.050999 H\n0.536242 0.675394 0.050999 H\n0.036242 0.824606 0.949001 H\n0.534693 0.305897 0.927278 H\n0.034693 0.194103 0.072722 H\n0.465307 0.694103 0.072722 H\n0.965307 0.805897 0.927278 H\n0.362742 0.588616 0.177948 H\n0.862742 0.911384 0.822052 H\n0.637258 0.411384 0.822052 H\n0.137258 0.088616 0.177948 H\n0.369879 0.380392 0.188262 H\n0.869879 0.119608 0.811738 H\n0.630121 0.619608 0.811738 H\n0.130121 0.880392 0.188262 H\n0.304975 0.472685 0.162200 H\n0.804975 0.027315 0.837800 H\n0.695025 0.527315 0.837800 H\n0.195025 0.972685 0.162200 H\n0.421896 0.781611 0.558895 H\n0.921896 0.718389 0.441105 H\n0.578104 0.218389 0.441105 H\n0.078104 0.281611 0.558895 H\n0.354813 0.750026 0.502672 H\n0.854813 0.749974 0.497328 H\n0.645187 0.249974 0.497328 H\n0.145187 0.250026 0.502672 H\n0.367214 0.813828 0.679489 H\n0.867214 0.686172 0.320511 H\n0.632786 0.186172 0.320511 H\n0.132786 0.313828 0.679489 H\n0.316060 0.392566 0.856462 H\n0.816060 0.107434 0.143538 H\n0.683940 0.607434 0.143538 H\n0.183940 0.892566 0.856462 H\n0.308961 0.600102 0.843808 H\n0.808961 0.899898 0.156192 H\n0.691039 0.399898 0.156192 H\n0.191039 0.100102 0.843808 H\n0.292954 0.522732 0.678397 H\n0.792954 0.977268 0.321603 H\n0.707046 0.477268 0.321603 H\n0.207046 0.022732 0.678397 H\n0.291124 0.201952 0.573945 H\n0.791124 0.298048 0.426055 H\n0.708876 0.798048 0.426055 H\n0.208876 0.701952 0.573945 H\n0.265392 0.262620 0.376160 H\n0.765392 0.237380 0.623840 H\n0.734608 0.737380 0.623840 H\n0.234608 0.762620 0.376160 H\n0.328015 0.160326 0.413517 H\n0.828015 0.339674 0.586483 H\n0.671985 0.839674 0.586483 H\n0.171985 0.660326 0.413517 H\n0.412287 0.382058 0.560532 Pt\n0.912287 0.117942 0.439468 Pt\n0.587713 0.617942 0.439468 Pt\n0.087713 0.882058 0.560532 Pt\n0.490200 0.096174 0.761675 C\n0.990200 0.403826 0.238325 C\n0.509800 0.903826 0.238325 C\n0.009800 0.596174 0.761675 C\n0.498174 0.363098 0.872769 C\n0.998174 0.136902 0.127231 C\n0.501826 0.636902 0.127231 C\n0.001826 0.863098 0.872769 C\n0.344537 0.472178 0.215515 C\n0.844537 0.027822 0.784485 C\n0.655463 0.527822 0.784485 C\n0.155463 0.972178 0.215515 C\n0.381952 0.742394 0.601411 C\n0.881952 0.757606 0.398589 C\n0.618048 0.257606 0.398589 C\n0.118048 0.242394 0.601411 C\n0.319223 0.510687 0.779890 C\n0.819223 0.989313 0.220110 C\n0.680777 0.489313 0.220110 C\n0.180777 0.010687 0.779890 C\n0.301228 0.243445 0.450145 C\n0.801228 0.256555 0.549855 C\n0.698772 0.756555 0.549855 C\n0.198772 0.743445 0.450145 C\n0.492538 0.307615 0.689663 S\n0.992538 0.192385 0.310337 S\n0.507462 0.692385 0.310337 S\n0.007462 0.807615 0.689663 S\n0.387855 0.543366 0.719985 S\n0.887855 0.956634 0.280015 S\n0.612145 0.456634 0.280015 S\n0.112145 0.043366 0.719985 S\n0.333093 0.433299 0.422815 S\n0.833093 0.066701 0.577185 S\n0.666907 0.566701 0.577185 S\n0.166907 0.933299 0.422815 S\n0.443161 0.228818 0.394517 Cl\n0.943161 0.271182 0.605483 Cl\n0.556839 0.771182 0.605483 Cl\n0.056839 0.728818 0.394517 Cl\n0.383579 0.869231 0.975685 F\n0.883579 0.630769 0.024315 F\n0.616421 0.130769 0.024315 F\n0.116421 0.369231 0.975685 F\n0.384331 0.119011 0.022614 F\n0.884331 0.380989 0.977386 F\n0.615669 0.880989 0.977386 F\n0.115669 0.619011 0.022614 F\n0.292513 0.852125 0.024252 F\n0.792513 0.647875 0.975748 F\n0.707487 0.147875 0.975748 F\n0.207487 0.352125 0.024252 F\n0.293367 0.101577 0.072398 F\n0.793367 0.398423 0.927602 F\n0.706633 0.898423 0.927602 F\n0.206633 0.601577 0.072398 F\n0.326413 0.063171 0.837870 F\n0.826413 0.436829 0.162130 F\n0.673587 0.936829 0.162130 F\n0.173587 0.563171 0.837870 F\n0.350274 0.907296 0.209720 F\n0.850274 0.592704 0.790280 F\n0.649726 0.092704 0.790280 F\n0.149726 0.407296 0.209720 F\n",
"nsites": 144,
"nelements": 7,
"elements": [
"P",
"H",
"Pt",
"C",
"S",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-H-P-Pt-S",
"density": 1.983930225415507,
"density_atomic": 0.07654524434133768,
"volume": 1881.2403205333278,
"volume_molar": 7.867426398360569,
"formula_full": "P4 H72 Pt4 C24 S12 Cl4 F24",
"formula_reduced": "PH18PtC6S3ClF6",
"formula_anonymous": "ABCD3E6F6G18",
"energy": -734.8966062100001,
"energy_per_atom": -5.103448654236112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -715.31660621,
"band_gap": 3.2089,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.019434,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.124000Z",
"spacegroup": 14
},
{
"id": "mp-1099742",
"created_at": "2022-09-04T14:41:29.974491Z",
"structure_string": "Ba8 Sr24 Co12 Cu20 O80\n1.0\n0.038929 0.007000 11.140569\n11.110069 0.003471 0.036851\n-5.567669 16.107334 -5.580260\nBa Sr Co Cu O\n8 24 12 20 80\ndirect\n0.308580 0.057314 0.118741 Ba\n0.306780 0.557422 0.118009 Ba\n0.808354 0.060974 0.120124 Ba\n0.807785 0.555713 0.120315 Ba\n0.186525 0.943139 0.876483 Ba\n0.060322 0.811140 0.119016 Ba\n0.556233 0.310638 0.119333 Ba\n0.933897 0.687267 0.875379 Ba\n0.300211 0.057681 0.611916 Sr\n0.306308 0.554971 0.609632 Sr\n0.805188 0.056248 0.610200 Sr\n0.804126 0.556224 0.609228 Sr\n0.192661 0.444937 0.389908 Sr\n0.188204 0.439055 0.884975 Sr\n0.190055 0.947723 0.390333 Sr\n0.696769 0.440236 0.389539 Sr\n0.694851 0.439746 0.885209 Sr\n0.695403 0.948086 0.389486 Sr\n0.690283 0.941076 0.884415 Sr\n0.056812 0.312702 0.111055 Sr\n0.056106 0.308310 0.609750 Sr\n0.052171 0.806798 0.609197 Sr\n0.560915 0.303091 0.613010 Sr\n0.555612 0.805008 0.112869 Sr\n0.553754 0.798637 0.611129 Sr\n0.443389 0.191811 0.391414 Sr\n0.438428 0.189878 0.884470 Sr\n0.441652 0.693785 0.390970 Sr\n0.445522 0.693601 0.883599 Sr\n0.951669 0.199036 0.393370 Sr\n0.944547 0.198512 0.885709 Sr\n0.944354 0.702522 0.392597 Sr\n0.991288 0.001853 0.992437 Co\n0.994084 0.495519 0.990302 Co\n0.492879 0.996417 0.991943 Co\n0.499465 0.999386 0.501526 Co\n0.491947 0.491751 0.985411 Co\n0.497784 0.494695 0.496864 Co\n0.241768 0.740343 0.985935 Co\n0.249625 0.752236 0.501504 Co\n0.744460 0.246007 0.987235 Co\n0.753075 0.251486 0.501771 Co\n0.745068 0.746029 0.995337 Co\n0.749501 0.750847 0.497235 Co\n0.000477 0.004281 0.502060 Cu\n0.002020 0.502235 0.501035 Cu\n0.244755 0.248277 0.993049 Cu\n0.253388 0.251021 0.501998 Cu\n0.120813 0.110761 0.255697 Cu\n0.111481 0.103609 0.744386 Cu\n0.120514 0.604672 0.255472 Cu\n0.117722 0.592214 0.745014 Cu\n0.620348 0.101314 0.254008 Cu\n0.612557 0.098633 0.746813 Cu\n0.619839 0.612422 0.259174 Cu\n0.611156 0.598662 0.748543 Cu\n0.366243 0.397449 0.256143 Cu\n0.366058 0.397776 0.747896 Cu\n0.375928 0.899254 0.258767 Cu\n0.367402 0.897011 0.745754 Cu\n0.874535 0.403274 0.258763 Cu\n0.863684 0.392947 0.745272 Cu\n0.865246 0.898631 0.253028 Cu\n0.857844 0.905145 0.747016 Cu\n0.123757 0.126275 0.497917 O\n0.107721 0.119634 0.996347 O\n0.127506 0.633085 0.495707 O\n0.115485 0.618332 0.992440 O\n0.622192 0.119272 0.495157 O\n0.611416 0.108730 0.991389 O\n0.614380 0.612184 0.496021 O\n0.611681 0.612535 0.993680 O\n0.120465 0.373037 0.997842 O\n0.131331 0.378793 0.505214 O\n0.134058 0.864249 0.996660 O\n0.126984 0.878888 0.506453 O\n0.627389 0.360501 0.996442 O\n0.631513 0.367364 0.503467 O\n0.629966 0.862506 0.999392 O\n0.622935 0.872231 0.506231 O\n0.378410 0.115130 0.498266 O\n0.367798 0.122981 0.992597 O\n0.371647 0.618013 0.495414 O\n0.364964 0.631328 0.992674 O\n0.867107 0.131461 0.496479 O\n0.860866 0.131775 0.994329 O\n0.865199 0.629623 0.497914 O\n0.861551 0.628234 0.993485 O\n0.380665 0.383841 0.996315 O\n0.388728 0.380596 0.506333 O\n0.386682 0.878780 0.997029 O\n0.372046 0.871529 0.506380 O\n0.875186 0.379186 0.996832 O\n0.876595 0.381414 0.506729 O\n0.879587 0.886305 0.999017 O\n0.873790 0.883105 0.505601 O\n0.071934 0.093616 0.143701 O\n0.066200 0.089709 0.633656 O\n0.070531 0.578879 0.143376 O\n0.079735 0.588683 0.635946 O\n0.570638 0.075802 0.140902 O\n0.576824 0.083001 0.636190 O\n0.574573 0.594541 0.149022 O\n0.578457 0.582302 0.638922 O\n0.438128 0.407558 0.366594 O\n0.441563 0.412570 0.860521 O\n0.440485 0.910470 0.369330 O\n0.437627 0.912255 0.857794 O\n0.941317 0.415934 0.369393 O\n0.934844 0.415606 0.857661 O\n0.934066 0.914020 0.363910 O\n0.925386 0.928791 0.861492 O\n0.318422 0.313047 0.143972 O\n0.326190 0.304929 0.636623 O\n0.336127 0.813688 0.147941 O\n0.329185 0.797822 0.636397 O\n0.833783 0.314893 0.148019 O\n0.815669 0.296561 0.634503 O\n0.818764 0.809053 0.139396 O\n0.822699 0.803048 0.637813 O\n0.190346 0.202252 0.367266 O\n0.182452 0.194092 0.856559 O\n0.194770 0.704668 0.364942 O\n0.189702 0.685691 0.858095 O\n0.697396 0.200848 0.362765 O\n0.688483 0.194956 0.859042 O\n0.689471 0.707585 0.370951 O\n0.675371 0.695673 0.861200 O\n0.472354 0.046425 0.264180 O\n0.453977 0.052304 0.747853 O\n0.472445 0.538360 0.262733 O\n0.450614 0.548609 0.746622 O\n0.974122 0.039688 0.262055 O\n0.955193 0.050288 0.748398 O\n0.972057 0.550523 0.265773 O\n0.958065 0.528959 0.735520 O\n0.208591 0.452855 0.253249 O\n0.204416 0.438845 0.747827 O\n0.225762 0.973079 0.261298 O\n0.208950 0.960940 0.736131 O\n0.723630 0.471614 0.261672 O\n0.707867 0.453216 0.751024 O\n0.706595 0.947784 0.250973 O\n0.696201 0.943623 0.746277 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Co",
"Cu",
"O"
],
"chemical_system": "Ba-Co-Cu-O-Sr",
"density": 5.3785939783534795,
"density_atomic": 0.07220691545247951,
"volume": 1994.268818957772,
"volume_molar": 8.340116347946292,
"formula_full": "Ba8 Sr24 Co12 Cu20 O80",
"formula_reduced": "Ba2Sr6Co3(CuO4)5",
"formula_anonymous": "A2B3C5D6E20",
"energy": -899.82186225,
"energy_per_atom": -6.248762932291666,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -825.2058622499999,
"band_gap": 0.0476999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.8776989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.588000Z",
"spacegroup": 1
},
{
"id": "mp-1076680",
"created_at": "2022-09-04T14:39:14.434742Z",
"structure_string": "Sr16 Ca16 Ti8 Mn24 O80\n1.0\n-0.004546 -0.011969 11.082246\n11.283434 0.002135 -0.004575\n-5.636247 15.608809 -5.555274\nSr Ca Ti Mn O\n16 16 8 24 80\ndirect\n0.309344 0.560740 0.610247 Sr\n0.807639 0.060284 0.608166 Sr\n0.809997 0.560045 0.609948 Sr\n0.196670 0.437056 0.388448 Sr\n0.192400 0.437383 0.889068 Sr\n0.697551 0.438950 0.387567 Sr\n0.699264 0.935817 0.386524 Sr\n0.695443 0.936205 0.888325 Sr\n0.060292 0.298799 0.609919 Sr\n0.060183 0.798951 0.609190 Sr\n0.558334 0.300248 0.609963 Sr\n0.559976 0.797094 0.610002 Sr\n0.446611 0.201159 0.386998 Sr\n0.440930 0.198891 0.886013 Sr\n0.947474 0.199418 0.388416 Sr\n0.948752 0.204883 0.889911 Sr\n0.300417 0.070893 0.109566 Ca\n0.305104 0.061294 0.605328 Ca\n0.304422 0.563467 0.112861 Ca\n0.803624 0.067376 0.108463 Ca\n0.802677 0.568619 0.114403 Ca\n0.194556 0.933310 0.391086 Ca\n0.196754 0.936645 0.892606 Ca\n0.698784 0.438372 0.894498 Ca\n0.055594 0.288191 0.109142 Ca\n0.051642 0.800369 0.112674 Ca\n0.548000 0.291058 0.108960 Ca\n0.554247 0.794311 0.109766 Ca\n0.447981 0.704269 0.391187 Ca\n0.443039 0.705542 0.891254 Ca\n0.947030 0.706933 0.392185 Ca\n0.943604 0.701900 0.893152 Ca\n0.003537 0.997866 0.998527 Ti\n0.006187 0.504834 0.009051 Ti\n0.501354 0.996586 0.000989 Ti\n0.503081 0.997610 0.497994 Ti\n0.503312 0.503051 0.001595 Ti\n0.253356 0.751854 0.004506 Ti\n0.751077 0.254132 0.002221 Ti\n0.755082 0.749358 0.001914 Ti\n0.006620 0.996803 0.498019 Mn\n0.004310 0.500765 0.498263 Mn\n0.503883 0.500841 0.498570 Mn\n0.255534 0.252139 0.001964 Mn\n0.254529 0.245951 0.499135 Mn\n0.255575 0.750165 0.498262 Mn\n0.753348 0.249235 0.497970 Mn\n0.755196 0.748028 0.497241 Mn\n0.105268 0.090968 0.246629 Mn\n0.113482 0.092282 0.750089 Mn\n0.109100 0.595981 0.249989 Mn\n0.115631 0.603281 0.754234 Mn\n0.604229 0.090851 0.242907 Mn\n0.607529 0.100748 0.749062 Mn\n0.609163 0.591923 0.246361 Mn\n0.612917 0.595721 0.754583 Mn\n0.355559 0.406845 0.248510 Mn\n0.366738 0.407054 0.752563 Mn\n0.356966 0.902081 0.247738 Mn\n0.360878 0.903668 0.749765 Mn\n0.856245 0.404814 0.246033 Mn\n0.858915 0.411169 0.756732 Mn\n0.862381 0.903296 0.245843 Mn\n0.865628 0.903594 0.750371 Mn\n0.127927 0.115790 0.490635 O\n0.123582 0.112577 0.993470 O\n0.121874 0.625428 0.485394 O\n0.124412 0.625957 0.988575 O\n0.622557 0.119835 0.490425 O\n0.628363 0.125438 0.993560 O\n0.621258 0.622676 0.487723 O\n0.629040 0.621346 0.987631 O\n0.131329 0.390532 0.015947 O\n0.134251 0.371733 0.504897 O\n0.142524 0.880616 0.018509 O\n0.137240 0.880200 0.506402 O\n0.642816 0.383368 0.019334 O\n0.630356 0.375498 0.502675 O\n0.641511 0.877964 0.016734 O\n0.630702 0.875770 0.504872 O\n0.370311 0.111824 0.486248 O\n0.378088 0.109297 0.990960 O\n0.375520 0.621324 0.488397 O\n0.379999 0.621030 0.987662 O\n0.876278 0.120739 0.494249 O\n0.877735 0.118194 0.993086 O\n0.873264 0.623703 0.488679 O\n0.876271 0.617633 0.987868 O\n0.394102 0.394037 0.017686 O\n0.380024 0.375360 0.503489 O\n0.392586 0.884362 0.018329 O\n0.383508 0.882694 0.509844 O\n0.887539 0.389444 0.017403 O\n0.879129 0.376195 0.503623 O\n0.891841 0.883675 0.017253 O\n0.884029 0.876879 0.504727 O\n0.082731 0.089642 0.132907 O\n0.080500 0.077818 0.632822 O\n0.080089 0.603235 0.128845 O\n0.072807 0.583012 0.632238 O\n0.584706 0.093199 0.128706 O\n0.574057 0.083656 0.625077 O\n0.586745 0.600251 0.127404 O\n0.572895 0.578530 0.630826 O\n0.434880 0.417684 0.364095 O\n0.461020 0.412461 0.877520 O\n0.445070 0.907047 0.369551 O\n0.454895 0.908287 0.876952 O\n0.934707 0.414790 0.361509 O\n0.944438 0.416287 0.872516 O\n0.948377 0.909397 0.367565 O\n0.954003 0.904009 0.876432 O\n0.335954 0.292464 0.137936 O\n0.326631 0.287814 0.630463 O\n0.332411 0.776056 0.126575 O\n0.320245 0.790801 0.627039 O\n0.836367 0.288641 0.130370 O\n0.825011 0.309433 0.641501 O\n0.836604 0.777737 0.126566 O\n0.823165 0.793939 0.627534 O\n0.184682 0.195614 0.361738 O\n0.190795 0.204808 0.864669 O\n0.203668 0.713773 0.369520 O\n0.207519 0.721206 0.877112 O\n0.682999 0.189185 0.358506 O\n0.699199 0.219103 0.878436 O\n0.698317 0.702424 0.367607 O\n0.711803 0.713662 0.876329 O\n0.422304 0.069299 0.238715 O\n0.420008 0.072049 0.744032 O\n0.422116 0.569177 0.247436 O\n0.432578 0.583034 0.759975 O\n0.923560 0.073192 0.239607 O\n0.938051 0.072436 0.751433 O\n0.922101 0.571336 0.249041 O\n0.934362 0.574029 0.761204 O\n0.171824 0.419056 0.239635 O\n0.185314 0.437647 0.752891 O\n0.170278 0.927966 0.247885 O\n0.181947 0.932568 0.760935 O\n0.672017 0.416554 0.238103 O\n0.682895 0.425924 0.760403 O\n0.674438 0.929041 0.239172 O\n0.686002 0.937646 0.752919 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.276086551791369,
"density_atomic": 0.07380079841802233,
"volume": 1951.1984028188353,
"volume_molar": 8.159994050320977,
"formula_full": "Sr16 Ca16 Ti8 Mn24 O80",
"formula_reduced": "Sr2Ca2TiMn3O10",
"formula_anonymous": "AB2C2D3E10",
"energy": -1143.61706866,
"energy_per_atom": -7.941785199027779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1048.62506866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 103.6583931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.340000Z",
"spacegroup": 1
},
{
"id": "mp-1099862",
"created_at": "2022-09-04T14:43:53.170464Z",
"structure_string": "Ba4 Sr28 Fe24 Co8 O80\n1.0\n-0.027762 0.012774 11.080033\n11.463326 -0.008051 -0.028594\n-5.728910 16.086266 -5.508440\nBa Sr Fe Co O\n4 28 24 8 80\ndirect\n0.308674 0.062931 0.114778 Ba\n0.309727 0.561759 0.113579 Ba\n0.808251 0.061211 0.114240 Ba\n0.056132 0.799771 0.113736 Ba\n0.309328 0.062993 0.608184 Sr\n0.305781 0.564062 0.608885 Sr\n0.802527 0.062276 0.608239 Sr\n0.806797 0.563298 0.109200 Sr\n0.805869 0.564099 0.608919 Sr\n0.198372 0.438014 0.391960 Sr\n0.197954 0.436193 0.889193 Sr\n0.202870 0.937482 0.394471 Sr\n0.199515 0.935755 0.888818 Sr\n0.697116 0.436595 0.391357 Sr\n0.696420 0.435478 0.888468 Sr\n0.695376 0.938681 0.393145 Sr\n0.692153 0.933350 0.888323 Sr\n0.056997 0.295534 0.108726 Sr\n0.055613 0.293963 0.609248 Sr\n0.055326 0.796535 0.609133 Sr\n0.556407 0.297719 0.108125 Sr\n0.556346 0.290843 0.608204 Sr\n0.558495 0.794051 0.109431 Sr\n0.557059 0.798138 0.608884 Sr\n0.448041 0.204805 0.395279 Sr\n0.450262 0.207859 0.888682 Sr\n0.448032 0.707810 0.394615 Sr\n0.447216 0.704367 0.888535 Sr\n0.949549 0.206881 0.393929 Sr\n0.944238 0.205771 0.887638 Sr\n0.949117 0.704317 0.392798 Sr\n0.942390 0.699233 0.888056 Sr\n0.003654 0.998988 0.499285 Fe\n0.004702 0.500779 0.501284 Fe\n0.504869 0.500511 0.501483 Fe\n0.251519 0.246997 0.992132 Fe\n0.255892 0.249553 0.500854 Fe\n0.256473 0.752305 0.501968 Fe\n0.752959 0.248484 0.499688 Fe\n0.752544 0.751062 0.498777 Fe\n0.114889 0.097201 0.258918 Fe\n0.107156 0.089840 0.748065 Fe\n0.106111 0.588955 0.252420 Fe\n0.106715 0.588787 0.747764 Fe\n0.614832 0.095106 0.256009 Fe\n0.606432 0.088825 0.747153 Fe\n0.615074 0.593129 0.255250 Fe\n0.605196 0.587699 0.746204 Fe\n0.360567 0.410208 0.253801 Fe\n0.356364 0.408101 0.746580 Fe\n0.368212 0.913480 0.258543 Fe\n0.356208 0.909100 0.747201 Fe\n0.858648 0.411707 0.251430 Fe\n0.855778 0.407374 0.746761 Fe\n0.859204 0.907242 0.256338 Fe\n0.856421 0.908898 0.747625 Fe\n0.998177 0.994526 0.985266 Co\n0.001128 0.495827 0.996201 Co\n0.500045 0.997591 0.993320 Co\n0.504824 0.999152 0.500013 Co\n0.503620 0.498358 0.995572 Co\n0.252715 0.741495 0.989294 Co\n0.751418 0.253416 0.998562 Co\n0.746825 0.744175 0.991730 Co\n0.125372 0.122803 0.493214 O\n0.124006 0.124040 0.987683 O\n0.124889 0.622414 0.493157 O\n0.129663 0.630322 0.988301 O\n0.623581 0.121181 0.493297 O\n0.632749 0.132187 0.989898 O\n0.625169 0.622278 0.492514 O\n0.628745 0.627446 0.990961 O\n0.127730 0.371890 0.001135 O\n0.132102 0.379510 0.509036 O\n0.114535 0.884777 0.999255 O\n0.133567 0.877380 0.508835 O\n0.629915 0.384977 0.006827 O\n0.633273 0.377954 0.508772 O\n0.623954 0.874390 0.003027 O\n0.631251 0.878949 0.508653 O\n0.377073 0.118504 0.493582 O\n0.375017 0.121635 0.989034 O\n0.374664 0.620450 0.493118 O\n0.379613 0.615037 0.988386 O\n0.875173 0.120346 0.493654 O\n0.881954 0.106361 0.988232 O\n0.875605 0.619544 0.493456 O\n0.870381 0.612026 0.987295 O\n0.380213 0.374257 0.001334 O\n0.383748 0.381980 0.510644 O\n0.369612 0.867786 0.001846 O\n0.384476 0.881317 0.508794 O\n0.874875 0.366253 0.003286 O\n0.883723 0.381962 0.509422 O\n0.866762 0.864451 0.999191 O\n0.883133 0.880873 0.510253 O\n0.084732 0.106817 0.153001 O\n0.082148 0.093297 0.639691 O\n0.074351 0.587032 0.143041 O\n0.080968 0.594649 0.639385 O\n0.583077 0.106305 0.149664 O\n0.577655 0.088378 0.636674 O\n0.589952 0.602207 0.149091 O\n0.580274 0.594374 0.638012 O\n0.440677 0.403579 0.362462 O\n0.441624 0.400630 0.852301 O\n0.445608 0.910159 0.368665 O\n0.439376 0.901030 0.853580 O\n0.942253 0.406426 0.360418 O\n0.939456 0.400627 0.852770 O\n0.941481 0.905797 0.366070 O\n0.938707 0.900472 0.854754 O\n0.334183 0.308077 0.142420 O\n0.329631 0.295242 0.637572 O\n0.342265 0.807222 0.149890 O\n0.329915 0.796561 0.637825 O\n0.834873 0.305482 0.141534 O\n0.829423 0.294252 0.637997 O\n0.829234 0.796300 0.147980 O\n0.829574 0.795983 0.639172 O\n0.196110 0.210649 0.367926 O\n0.191283 0.202819 0.856617 O\n0.192052 0.703942 0.360810 O\n0.190664 0.703127 0.855690 O\n0.699121 0.206877 0.365920 O\n0.689480 0.204056 0.853396 O\n0.697570 0.706562 0.365266 O\n0.687499 0.701988 0.853833 O\n0.447682 0.065280 0.262317 O\n0.433571 0.061181 0.748225 O\n0.446026 0.562658 0.261085 O\n0.432304 0.561159 0.747310 O\n0.945853 0.057136 0.260797 O\n0.933543 0.060740 0.748218 O\n0.932109 0.565842 0.253133 O\n0.933342 0.560339 0.747675 O\n0.185564 0.438301 0.251617 O\n0.183181 0.437747 0.748171 O\n0.199045 0.950517 0.260399 O\n0.183328 0.938130 0.748541 O\n0.685400 0.437765 0.251643 O\n0.682210 0.437183 0.747313 O\n0.686127 0.940783 0.252857 O\n0.683856 0.938399 0.748909 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Fe",
"Co",
"O"
],
"chemical_system": "Ba-Co-Fe-O-Sr",
"density": 4.9523390068172795,
"density_atomic": 0.07046853773711288,
"volume": 2043.4651352806648,
"volume_molar": 8.545857418619866,
"formula_full": "Ba4 Sr28 Fe24 Co8 O80",
"formula_reduced": "BaSr7Fe6(CoO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1040.23679031,
"energy_per_atom": -7.223866599375,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -918.02879031,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 141.0509266,
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"updated_at": "2021-11-28T01:36:22.917000Z",
"spacegroup": 1
},
{
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"created_at": "2022-09-04T14:40:39.418167Z",
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{
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{
"id": "mp-1076207",
"created_at": "2022-09-04T14:39:08.164046Z",
"structure_string": "Ca28 Mg4 Ti4 Mn28 O80\n1.0\n-0.024648 -0.057951 10.914664\n11.155274 0.014015 -0.024895\n-5.545438 15.023059 -5.524998\nCa Mg Ti Mn O\n28 4 4 28 80\ndirect\n0.306147 0.064840 0.605844 Ca\n0.309064 0.565163 0.608139 Ca\n0.807719 0.062112 0.605119 Ca\n0.802092 0.560472 0.109675 Ca\n0.806839 0.564761 0.608838 Ca\n0.195724 0.432206 0.390050 Ca\n0.203321 0.435512 0.895736 Ca\n0.194116 0.936386 0.388177 Ca\n0.190147 0.941622 0.893163 Ca\n0.694501 0.433201 0.391602 Ca\n0.686422 0.430357 0.889637 Ca\n0.690172 0.934116 0.389568 Ca\n0.692378 0.940768 0.889796 Ca\n0.055799 0.293584 0.111726 Ca\n0.051503 0.290181 0.605968 Ca\n0.056623 0.795144 0.608921 Ca\n0.555535 0.299666 0.111200 Ca\n0.557147 0.293511 0.606823 Ca\n0.547554 0.781109 0.112952 Ca\n0.557077 0.792473 0.607573 Ca\n0.441167 0.203292 0.386618 Ca\n0.444733 0.210019 0.892410 Ca\n0.444718 0.707067 0.388060 Ca\n0.432759 0.701195 0.885701 Ca\n0.939128 0.203442 0.386997 Ca\n0.945487 0.199034 0.890769 Ca\n0.953138 0.707395 0.391306 Ca\n0.947513 0.704925 0.890087 Ca\n0.282819 0.084886 0.123819 Mg\n0.276293 0.584585 0.119754 Mg\n0.778031 0.089553 0.121826 Mg\n0.032118 0.785308 0.124084 Mg\n0.013699 0.996718 0.008357 Ti\n0.005165 0.500107 0.996644 Ti\n0.504497 0.002138 0.002389 Ti\n0.758273 0.757765 0.003478 Ti\n0.004825 0.996194 0.496381 Mn\n0.008260 0.500157 0.499793 Mn\n0.503799 0.997714 0.497483 Mn\n0.505082 0.499581 0.000676 Mn\n0.507572 0.499186 0.498839 Mn\n0.260489 0.251692 0.005657 Mn\n0.254353 0.250927 0.498637 Mn\n0.261653 0.751964 0.001975 Mn\n0.259285 0.750173 0.500514 Mn\n0.758621 0.245086 0.000934 Mn\n0.755526 0.248486 0.498262 Mn\n0.755471 0.746685 0.497796 Mn\n0.091886 0.088134 0.245207 Mn\n0.107541 0.101393 0.750921 Mn\n0.108412 0.599912 0.250256 Mn\n0.105793 0.590367 0.750352 Mn\n0.594637 0.088931 0.245781 Mn\n0.610446 0.099738 0.748963 Mn\n0.598140 0.595505 0.247179 Mn\n0.615597 0.592927 0.752164 Mn\n0.355394 0.407104 0.246233 Mn\n0.355783 0.401155 0.748237 Mn\n0.339561 0.900747 0.240866 Mn\n0.364167 0.911224 0.751262 Mn\n0.858773 0.406105 0.251331 Mn\n0.858405 0.399392 0.750472 Mn\n0.850667 0.907378 0.245808 Mn\n0.864203 0.905001 0.750619 Mn\n0.122531 0.121305 0.488752 O\n0.117262 0.129577 0.984664 O\n0.124791 0.618334 0.482832 O\n0.121997 0.625122 0.980498 O\n0.619620 0.117678 0.483315 O\n0.619912 0.123308 0.979580 O\n0.623410 0.617231 0.483434 O\n0.624207 0.636146 0.988019 O\n0.164794 0.400022 0.034185 O\n0.140383 0.383351 0.518224 O\n0.179002 0.911737 0.026224 O\n0.139998 0.881322 0.517427 O\n0.643341 0.377484 0.009591 O\n0.639829 0.381019 0.516931 O\n0.678379 0.907934 0.028456 O\n0.636592 0.879066 0.512822 O\n0.371958 0.117632 0.487763 O\n0.371549 0.108784 0.981721 O\n0.373707 0.615378 0.481459 O\n0.368157 0.614804 0.979793 O\n0.869658 0.111458 0.480817 O\n0.873604 0.101772 0.989339 O\n0.872173 0.613330 0.478930 O\n0.868161 0.598617 0.979802 O\n0.392867 0.370947 0.011733 O\n0.387674 0.383867 0.513567 O\n0.412502 0.872791 0.016589 O\n0.389988 0.885560 0.517534 O\n0.898343 0.376528 0.017173 O\n0.888329 0.383682 0.514630 O\n0.933385 0.860875 0.026255 O\n0.884154 0.878052 0.507263 O\n0.101047 0.106669 0.133149 O\n0.073728 0.092174 0.632122 O\n0.090148 0.612772 0.129860 O\n0.081520 0.599749 0.629438 O\n0.594318 0.105530 0.128698 O\n0.581267 0.094740 0.631866 O\n0.593173 0.587443 0.133095 O\n0.582030 0.597899 0.629150 O\n0.452213 0.401480 0.368465 O\n0.447248 0.406390 0.866016 O\n0.438957 0.906173 0.367854 O\n0.465786 0.900561 0.873955 O\n0.954175 0.399655 0.370575 O\n0.969175 0.396673 0.875546 O\n0.955736 0.904715 0.368332 O\n0.960918 0.904095 0.876004 O\n0.340068 0.264170 0.130433 O\n0.329613 0.287851 0.632173 O\n0.338175 0.761734 0.127531 O\n0.336580 0.781768 0.630510 O\n0.825717 0.272622 0.129377 O\n0.832456 0.277335 0.627217 O\n0.848710 0.770524 0.130694 O\n0.835948 0.782994 0.627706 O\n0.194119 0.211462 0.369179 O\n0.197077 0.214698 0.869895 O\n0.200137 0.721209 0.371245 O\n0.203304 0.726547 0.871683 O\n0.694960 0.216437 0.368508 O\n0.707945 0.210210 0.867906 O\n0.679166 0.711167 0.364998 O\n0.714829 0.728267 0.876656 O\n0.400097 0.074975 0.238664 O\n0.428639 0.087600 0.750908 O\n0.406826 0.581659 0.236525 O\n0.423923 0.565595 0.749843 O\n0.897440 0.082371 0.237429 O\n0.925673 0.081460 0.749794 O\n0.921596 0.575890 0.249065 O\n0.917037 0.575260 0.750462 O\n0.169014 0.427801 0.249615 O\n0.174651 0.415468 0.750635 O\n0.147432 0.908901 0.239678 O\n0.176735 0.939649 0.751857 O\n0.669274 0.437034 0.251227 O\n0.669099 0.415433 0.752119 O\n0.662281 0.916498 0.248123 O\n0.676024 0.936515 0.749495 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mg-Mn-O-Ti",
"density": 3.8450120356208535,
"density_atomic": 0.07884320072966014,
"volume": 1826.409870062878,
"volume_molar": 7.63812314095275,
"formula_full": "Ca28 Mg4 Ti4 Mn28 O80",
"formula_reduced": "Ca7MgTiMn7O20",
"formula_anonymous": "ABC7D7E20",
"energy": -1130.30321861,
"energy_per_atom": -7.849327907013889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1028.63921861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 115.5892299,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.471000Z",
"spacegroup": 1
},
{
"id": "mp-1076190",
"created_at": "2022-09-04T14:43:23.692586Z",
"structure_string": "Sr16 Ca16 Mn20 Fe12 O80\n1.0\n-0.000449 -0.008214 11.037602\n11.167389 -0.001170 -0.000316\n-5.585171 15.811689 -5.529971\nSr Ca Mn Fe O\n16 16 20 12 80\ndirect\n0.308011 0.559691 0.611032 Sr\n0.807011 0.057438 0.608677 Sr\n0.810177 0.559319 0.610578 Sr\n0.195128 0.438714 0.386200 Sr\n0.199190 0.443042 0.893499 Sr\n0.696942 0.439723 0.386772 Sr\n0.697859 0.938190 0.387013 Sr\n0.699822 0.940491 0.892474 Sr\n0.060861 0.300030 0.610376 Sr\n0.059125 0.801633 0.610273 Sr\n0.558258 0.300963 0.610328 Sr\n0.556852 0.801104 0.608875 Sr\n0.445887 0.197991 0.387262 Sr\n0.449988 0.199891 0.890746 Sr\n0.948447 0.196971 0.386323 Sr\n0.948157 0.200278 0.891731 Sr\n0.305205 0.062932 0.105912 Ca\n0.306158 0.059842 0.604378 Ca\n0.307275 0.564842 0.108708 Ca\n0.804786 0.062965 0.105348 Ca\n0.806891 0.563082 0.107399 Ca\n0.199541 0.936882 0.392014 Ca\n0.202701 0.937604 0.897160 Ca\n0.702312 0.441449 0.897540 Ca\n0.055433 0.293419 0.106760 Ca\n0.056172 0.792926 0.106391 Ca\n0.554867 0.293001 0.105301 Ca\n0.554971 0.792579 0.105002 Ca\n0.448457 0.704792 0.392662 Ca\n0.450994 0.707012 0.896635 Ca\n0.948654 0.704740 0.390963 Ca\n0.951258 0.707458 0.897592 Ca\n0.005065 0.999437 0.498975 Mn\n0.002358 0.499401 0.497417 Mn\n0.256785 0.251417 0.003689 Mn\n0.252250 0.248256 0.498022 Mn\n0.107072 0.089998 0.244905 Mn\n0.117495 0.095188 0.754600 Mn\n0.109014 0.600806 0.247502 Mn\n0.114019 0.603983 0.755576 Mn\n0.607656 0.092853 0.245306 Mn\n0.609163 0.100231 0.749834 Mn\n0.607662 0.596427 0.246546 Mn\n0.612416 0.597785 0.754633 Mn\n0.358424 0.405894 0.246224 Mn\n0.365997 0.404593 0.754765 Mn\n0.355399 0.897203 0.247183 Mn\n0.360170 0.901531 0.751269 Mn\n0.857451 0.405483 0.244862 Mn\n0.861205 0.408111 0.754959 Mn\n0.859826 0.895620 0.244098 Mn\n0.866360 0.899577 0.751616 Mn\n0.008107 0.001501 0.003645 Fe\n0.006355 0.501991 0.003620 Fe\n0.506036 0.001341 0.003428 Fe\n0.501591 0.999099 0.497901 Fe\n0.506653 0.501664 0.002905 Fe\n0.501333 0.498373 0.496471 Fe\n0.256484 0.752131 0.002805 Fe\n0.251160 0.749379 0.497254 Fe\n0.756982 0.253509 0.004676 Fe\n0.753888 0.249776 0.498659 Fe\n0.756336 0.749921 0.002086 Fe\n0.753041 0.747661 0.496556 Fe\n0.127681 0.117378 0.491371 O\n0.130021 0.122194 0.993200 O\n0.118885 0.622288 0.489394 O\n0.123343 0.625134 0.993198 O\n0.624411 0.122753 0.493399 O\n0.625573 0.124362 0.995949 O\n0.621662 0.622825 0.490562 O\n0.624740 0.620802 0.990091 O\n0.138170 0.379771 0.015498 O\n0.131209 0.376756 0.505580 O\n0.135899 0.880445 0.011846 O\n0.130833 0.879633 0.503560 O\n0.637084 0.383329 0.015210 O\n0.631030 0.377258 0.504723 O\n0.633875 0.878179 0.012934 O\n0.627574 0.873504 0.501338 O\n0.370026 0.119315 0.491921 O\n0.372021 0.119750 0.992886 O\n0.374071 0.622144 0.491015 O\n0.378234 0.623534 0.993538 O\n0.878070 0.120553 0.494818 O\n0.877479 0.120971 0.994606 O\n0.876303 0.620965 0.491664 O\n0.874377 0.618480 0.989804 O\n0.384449 0.382139 0.014549 O\n0.378619 0.375996 0.504684 O\n0.385388 0.884348 0.013244 O\n0.377135 0.881822 0.505446 O\n0.884934 0.384905 0.013327 O\n0.881231 0.378689 0.503549 O\n0.887930 0.881562 0.013822 O\n0.882389 0.876820 0.502281 O\n0.086406 0.094052 0.134136 O\n0.084900 0.080396 0.639923 O\n0.078424 0.596889 0.134377 O\n0.073242 0.585267 0.640344 O\n0.580087 0.095987 0.134963 O\n0.574373 0.081682 0.633884 O\n0.576435 0.596605 0.134555 O\n0.573248 0.580544 0.637823 O\n0.436409 0.413835 0.363262 O\n0.445784 0.413078 0.868976 O\n0.435701 0.912172 0.363070 O\n0.444154 0.911127 0.866580 O\n0.932956 0.413252 0.357650 O\n0.943356 0.412384 0.867530 O\n0.939566 0.909752 0.358381 O\n0.946820 0.908648 0.866987 O\n0.330988 0.288702 0.131806 O\n0.327754 0.298961 0.640653 O\n0.327240 0.789066 0.134781 O\n0.318878 0.800171 0.634861 O\n0.834161 0.290679 0.134397 O\n0.826024 0.308260 0.638225 O\n0.831563 0.785018 0.132548 O\n0.824480 0.802490 0.634292 O\n0.181600 0.191928 0.358770 O\n0.193298 0.206121 0.870894 O\n0.191058 0.702477 0.363749 O\n0.200374 0.710374 0.869550 O\n0.687311 0.190776 0.362223 O\n0.686233 0.207359 0.865851 O\n0.694775 0.693413 0.362471 O\n0.698421 0.704555 0.866920 O\n0.429716 0.059558 0.240757 O\n0.429984 0.064107 0.743761 O\n0.430336 0.577956 0.249019 O\n0.440220 0.576668 0.759587 O\n0.928302 0.061120 0.238857 O\n0.940847 0.063502 0.750740 O\n0.928190 0.575108 0.248101 O\n0.939919 0.575851 0.760789 O\n0.174781 0.432223 0.240170 O\n0.192149 0.440238 0.752848 O\n0.179012 0.921929 0.247397 O\n0.189193 0.930521 0.760276 O\n0.676694 0.426707 0.239072 O\n0.687090 0.432824 0.759295 O\n0.681821 0.925342 0.239773 O\n0.691938 0.940585 0.752211 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.339740556016975,
"density_atomic": 0.07390723993083934,
"volume": 1948.3882788039687,
"volume_molar": 8.148241993119182,
"formula_full": "Sr16 Ca16 Mn20 Fe12 O80",
"formula_reduced": "Sr4Ca4Mn5Fe3O20",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1095.08721686,
"energy_per_atom": -7.604772339305555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -979.69521686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 139.6502319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 1
},
{
"id": "mp-849790",
"created_at": "2022-09-04T14:47:29.848741Z",
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"nsites": 144,
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"elements": [
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"C",
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"updated_at": "2021-11-28T01:38:14.392000Z",
"spacegroup": 14
},
{
"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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"Cu",
"O"
],
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"density": 4.217982842335511,
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"volume": 1733.6403318972227,
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"formula_full": "Ca28 Mg4 Co28 Cu4 O80",
"formula_reduced": "Ca7MgCo7CuO20",
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"updated_at": "2021-11-28T01:37:16.984000Z",
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},
{
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"updated_at": "2021-11-28T01:35:21.470000Z",
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},
{
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}
]
}