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{
"id": "mp-556938",
"created_at": "2022-09-04T14:39:32.222960Z",
"structure_string": "Pr30 Ti24 Se58 I8 O25\n1.0\n14.447171 -0.000000 8.341078\n4.815723 13.620924 8.341078\n-0.000000 -0.000000 16.682157\nPr Ti Se I O\n30 24 58 8 25\ndirect\n0.066715 0.762951 0.407383 Pr\n0.407383 0.762951 0.066715 Pr\n0.645101 0.354899 0.354899 Pr\n0.762951 0.066715 0.407383 Pr\n0.237049 0.237049 0.933285 Pr\n0.592617 0.237049 0.237049 Pr\n0.354899 0.645101 0.354899 Pr\n0.066715 0.762951 0.762951 Pr\n0.762951 0.762951 0.407383 Pr\n0.066715 0.407383 0.762951 Pr\n0.354899 0.645101 0.645101 Pr\n0.762951 0.407383 0.066715 Pr\n0.592617 0.933285 0.237049 Pr\n0.762951 0.762951 0.066715 Pr\n0.237049 0.592617 0.237049 Pr\n0.933285 0.592617 0.237049 Pr\n0.237049 0.933285 0.237049 Pr\n0.762951 0.407383 0.762951 Pr\n0.933285 0.237049 0.237049 Pr\n0.237049 0.237049 0.592617 Pr\n0.645101 0.645101 0.354899 Pr\n0.407383 0.066715 0.762951 Pr\n0.592617 0.237049 0.933285 Pr\n0.933285 0.237049 0.592617 Pr\n0.237049 0.933285 0.592617 Pr\n0.762951 0.066715 0.762951 Pr\n0.407383 0.762951 0.762951 Pr\n0.237049 0.592617 0.933285 Pr\n0.645101 0.354899 0.645101 Pr\n0.354899 0.354899 0.645101 Pr\n0.195356 0.500000 0.500000 Ti\n0.195356 0.500000 0.804644 Ti\n0.500000 0.804644 0.500000 Ti\n0.089502 0.910498 0.089502 Ti\n0.804644 0.500000 0.500000 Ti\n0.089502 0.089502 0.910498 Ti\n0.500000 0.500000 0.804644 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.195356 0.804644 0.500000 Ti\n0.500000 0.804644 0.195356 Ti\n0.500000 0.195356 0.500000 Ti\n0.500000 0.195356 0.804644 Ti\n0.804644 0.195356 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.089502 0.910498 0.910498 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.500000 0.500000 0.195356 Ti\n0.804644 0.500000 0.195356 Ti\n0.910498 0.089502 0.910498 Ti\n0.000000 0.500000 0.000000 Ti\n0.910498 0.089502 0.089502 Ti\n0.910498 0.910498 0.089502 Ti\n0.582642 0.022249 0.582642 Se\n0.582541 0.582541 0.252376 Se\n0.805901 0.805901 0.194099 Se\n0.812467 0.022249 0.582642 Se\n0.417459 0.417459 0.747624 Se\n0.655554 1.000000 0.344446 Se\n0.417358 0.977751 0.417358 Se\n0.187533 0.417358 0.977751 Se\n0.344446 0.000000 1.000000 Se\n0.077824 0.766528 0.077824 Se\n0.812467 0.582642 0.582642 Se\n0.194099 0.805901 0.194099 Se\n0.233472 0.922176 0.922176 Se\n0.417358 0.187533 0.977751 Se\n0.077824 0.077824 0.077824 Se\n0.417358 0.187533 0.417358 Se\n0.582642 0.812467 0.022249 Se\n0.655554 0.344446 0.000000 Se\n0.977751 0.417358 0.417358 Se\n0.922176 0.233472 0.922176 Se\n0.582642 0.582642 0.812467 Se\n0.582642 0.582642 0.022249 Se\n0.022249 0.582642 0.812467 Se\n0.922176 0.922176 0.922176 Se\n0.582541 0.582541 0.582541 Se\n0.805901 0.194099 0.194099 Se\n0.805901 0.194099 0.805901 Se\n0.417358 0.417358 0.187533 Se\n0.655554 1.000000 0.000000 Se\n0.187533 0.977751 0.417358 Se\n1.000000 0.655554 0.344446 Se\n0.344446 0.655554 1.000000 Se\n0.812467 0.582642 0.022249 Se\n0.582642 0.022249 0.812467 Se\n0.417358 0.417358 0.977751 Se\n0.977751 0.187533 0.417358 Se\n0.194099 0.194099 0.805901 Se\n0.766528 0.077824 0.077824 Se\n0.582642 0.812467 0.582642 Se\n0.922176 0.922176 0.233472 Se\n0.977751 0.417358 0.187533 Se\n0.252376 0.582541 0.582541 Se\n0.000000 0.000000 0.344446 Se\n1.000000 0.655554 1.000000 Se\n0.417459 0.747624 0.417459 Se\n0.344446 0.000000 0.655554 Se\n0.187533 0.417358 0.417358 Se\n0.417459 0.417459 0.417459 Se\n0.000000 0.344446 0.655554 Se\n0.582541 0.252376 0.582541 Se\n0.417358 0.977751 0.187533 Se\n0.022249 0.582642 0.582642 Se\n0.000000 0.344446 0.000000 Se\n0.194099 0.805901 0.805901 Se\n1.000000 1.000000 0.655554 Se\n0.022249 0.812467 0.582642 Se\n0.747624 0.417459 0.417459 Se\n0.077824 0.077824 0.766528 Se\n0.173333 0.173333 0.480001 I\n0.173333 0.173333 0.173333 I\n0.519999 0.826667 0.826667 I\n0.480001 0.173333 0.173333 I\n0.826667 0.519999 0.826667 I\n0.826667 0.826667 0.826667 I\n0.826667 0.826667 0.519999 I\n0.173333 0.480001 0.173333 I\n0.211079 0.386185 0.788921 O\n0.386185 0.211079 0.613815 O\n0.613815 0.386185 0.211079 O\n0.211079 0.788921 0.386185 O\n0.788921 0.613815 0.211079 O\n0.613815 0.211079 0.386185 O\n0.788921 0.211079 0.613815 O\n0.386185 0.788921 0.613815 O\n0.386185 0.788921 0.211079 O\n0.211079 0.788921 0.613815 O\n0.788921 0.386185 0.613815 O\n0.211079 0.613815 0.788921 O\n0.386185 0.211079 0.788921 O\n0.000000 0.000000 0.000000 O\n0.613815 0.211079 0.788921 O\n0.386185 0.613815 0.788921 O\n0.788921 0.613815 0.386185 O\n0.211079 0.386185 0.613815 O\n0.613815 0.788921 0.211079 O\n0.211079 0.613815 0.386185 O\n0.613815 0.386185 0.788921 O\n0.613815 0.788921 0.386185 O\n0.386185 0.613815 0.211079 O\n0.788921 0.386185 0.211079 O\n0.788921 0.211079 0.386185 O\n",
"nsites": 145,
"nelements": 5,
"elements": [
"Pr",
"Ti",
"Se",
"I",
"O"
],
"chemical_system": "I-O-Pr-Se-Ti",
"density": 5.751800468687374,
"density_atomic": 0.044169899911027516,
"volume": 3282.7785503720174,
"volume_molar": 13.63403759603382,
"formula_full": "Pr30 Ti24 Se58 I8 O25",
"formula_reduced": "Pr30Ti24Se58I8O25",
"formula_anonymous": "A8B24C25D30E58",
"energy": -1012.10462119,
"energy_per_atom": -6.980031870275862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -964.52162119,
"band_gap": 0.1702000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.8387608,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.782000Z",
"spacegroup": 225
},
{
"id": "mp-1076776",
"created_at": "2022-09-04T14:44:27.270581Z",
"structure_string": "Sr8 Ca24 Ti8 Mn24 O80\n1.0\n0.002194 0.008380 11.006738\n11.275250 0.017589 0.002109\n-5.614427 15.352403 -5.492833\nSr Ca Ti Mn O\n8 24 8 24 80\ndirect\n0.309774 0.561019 0.609390 Sr\n0.808856 0.062503 0.609864 Sr\n0.193584 0.437385 0.889054 Sr\n0.058563 0.297299 0.608431 Sr\n0.059289 0.798598 0.609829 Sr\n0.558457 0.299895 0.610035 Sr\n0.441062 0.198140 0.886225 Sr\n0.944120 0.201538 0.387196 Sr\n0.299330 0.070517 0.112323 Ca\n0.303931 0.061470 0.604804 Ca\n0.303455 0.564782 0.113701 Ca\n0.804738 0.067280 0.108827 Ca\n0.803296 0.568346 0.113535 Ca\n0.806212 0.563872 0.605465 Ca\n0.200043 0.434776 0.393212 Ca\n0.191572 0.932697 0.389822 Ca\n0.195666 0.935666 0.892522 Ca\n0.699189 0.435976 0.392386 Ca\n0.697424 0.436382 0.891916 Ca\n0.699185 0.931888 0.390325 Ca\n0.689383 0.932581 0.887535 Ca\n0.056005 0.290315 0.111502 Ca\n0.050957 0.799763 0.114037 Ca\n0.552870 0.293620 0.112342 Ca\n0.556341 0.794632 0.113900 Ca\n0.558105 0.790790 0.606669 Ca\n0.451290 0.209409 0.390763 Ca\n0.448539 0.704747 0.390378 Ca\n0.442923 0.707295 0.890678 Ca\n0.950747 0.211077 0.892429 Ca\n0.945712 0.707170 0.391558 Ca\n0.941715 0.700863 0.889370 Ca\n0.001061 0.997313 0.995507 Ti\n0.005181 0.502790 0.006494 Ti\n0.504329 0.000008 0.003967 Ti\n0.504139 0.996944 0.496689 Ti\n0.503865 0.502404 0.001715 Ti\n0.253917 0.752744 0.005514 Ti\n0.751576 0.250743 0.998940 Ti\n0.754312 0.750490 0.000927 Ti\n0.005414 0.996748 0.497624 Mn\n0.004269 0.500620 0.496912 Mn\n0.505888 0.501500 0.497497 Mn\n0.255574 0.251754 0.002737 Mn\n0.255125 0.245273 0.496453 Mn\n0.257277 0.749778 0.497331 Mn\n0.753185 0.250858 0.496806 Mn\n0.754463 0.747535 0.497008 Mn\n0.110220 0.095917 0.248293 Mn\n0.109381 0.091928 0.753365 Mn\n0.109583 0.591668 0.252085 Mn\n0.109531 0.602491 0.751312 Mn\n0.603038 0.093274 0.249777 Mn\n0.608453 0.092150 0.747675 Mn\n0.610379 0.591657 0.250011 Mn\n0.614686 0.601271 0.752692 Mn\n0.355652 0.402866 0.250182 Mn\n0.366787 0.407337 0.750990 Mn\n0.359476 0.908113 0.251399 Mn\n0.365466 0.903314 0.749243 Mn\n0.856254 0.404213 0.248084 Mn\n0.858617 0.407817 0.751603 Mn\n0.857113 0.904311 0.247786 Mn\n0.855057 0.902805 0.750326 Mn\n0.127093 0.115578 0.488588 O\n0.120335 0.114673 0.990231 O\n0.124785 0.622298 0.482743 O\n0.124016 0.625848 0.988336 O\n0.620006 0.118043 0.481848 O\n0.629565 0.120512 0.988500 O\n0.622214 0.619344 0.483026 O\n0.627849 0.621153 0.985543 O\n0.133155 0.387741 0.016770 O\n0.135824 0.373001 0.503784 O\n0.143141 0.882226 0.018648 O\n0.139868 0.879511 0.508888 O\n0.642416 0.380696 0.017935 O\n0.634392 0.382204 0.507092 O\n0.641906 0.879127 0.017490 O\n0.634238 0.876133 0.510792 O\n0.370847 0.110602 0.480804 O\n0.377085 0.110364 0.990858 O\n0.373964 0.618210 0.483377 O\n0.379564 0.620471 0.988030 O\n0.871191 0.116175 0.488105 O\n0.875046 0.115605 0.987289 O\n0.868272 0.618666 0.483787 O\n0.874859 0.616007 0.985677 O\n0.393616 0.393161 0.019092 O\n0.382227 0.376432 0.501791 O\n0.391844 0.883033 0.016475 O\n0.388535 0.883613 0.512801 O\n0.889084 0.387402 0.017333 O\n0.879006 0.382580 0.508883 O\n0.892288 0.886150 0.018508 O\n0.883074 0.876860 0.506369 O\n0.083112 0.093021 0.132609 O\n0.075211 0.080634 0.632960 O\n0.081012 0.601143 0.129720 O\n0.073239 0.585179 0.631215 O\n0.586850 0.095892 0.127729 O\n0.578060 0.088402 0.624863 O\n0.588560 0.598152 0.128727 O\n0.576694 0.589397 0.627166 O\n0.444189 0.408571 0.364777 O\n0.459021 0.410477 0.876090 O\n0.453883 0.900028 0.370027 O\n0.461282 0.907793 0.875283 O\n0.942879 0.413963 0.363302 O\n0.948245 0.409390 0.871794 O\n0.951223 0.905925 0.368284 O\n0.955090 0.899361 0.874606 O\n0.327703 0.289734 0.132990 O\n0.326407 0.285645 0.626786 O\n0.333565 0.778439 0.128150 O\n0.327220 0.787792 0.626561 O\n0.834844 0.286542 0.130658 O\n0.820263 0.296955 0.631569 O\n0.834745 0.778153 0.127190 O\n0.823072 0.783271 0.627409 O\n0.191071 0.205929 0.363786 O\n0.194416 0.208963 0.873157 O\n0.205995 0.718428 0.369015 O\n0.202257 0.717647 0.873282 O\n0.693568 0.217429 0.369067 O\n0.705184 0.219097 0.875217 O\n0.697753 0.715405 0.368824 O\n0.712720 0.723769 0.875810 O\n0.413524 0.081569 0.248019 O\n0.419051 0.072668 0.742810 O\n0.421311 0.564299 0.248157 O\n0.433415 0.581893 0.758786 O\n0.926026 0.070903 0.240522 O\n0.929426 0.077984 0.759820 O\n0.920151 0.569475 0.249136 O\n0.926092 0.576167 0.751472 O\n0.172623 0.415915 0.249043 O\n0.182878 0.440920 0.751131 O\n0.170154 0.929904 0.248986 O\n0.183779 0.932806 0.760295 O\n0.673279 0.416822 0.247833 O\n0.680335 0.432605 0.759137 O\n0.669935 0.922333 0.249023 O\n0.667784 0.918867 0.750848 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.044232505958648,
"density_atomic": 0.07551539573606536,
"volume": 1906.8959196518797,
"volume_molar": 7.974719196398103,
"formula_full": "Sr8 Ca24 Ti8 Mn24 O80",
"formula_reduced": "SrCa3TiMn3O10",
"formula_anonymous": "ABC3D3E10",
"energy": -1147.33796999,
"energy_per_atom": -7.967624791597221,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1052.34596999,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 103.627767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.060000Z",
"spacegroup": 1
},
{
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"updated_at": "2021-11-28T01:38:10.143000Z",
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},
{
"id": "mp-680498",
"created_at": "2022-09-04T14:41:26.251216Z",
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},
{
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{
"id": "mp-1076479",
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{
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"structure_string": "Al24 P24 O96\n1.0\n6.932818 -12.007993 0.000000\n6.932818 12.007993 0.000000\n0.000000 0.000000 20.197266\nAl P O\n24 24 96\ndirect\n0.563076 0.668172 0.326827 Al\n0.996568 0.227501 0.576068 Al\n0.230933 0.003432 0.576068 Al\n0.563076 0.894904 0.173173 Al\n0.996568 0.769067 0.923932 Al\n0.105096 0.436924 0.326827 Al\n0.668172 0.563076 0.826827 Al\n0.230933 0.227501 0.923932 Al\n0.227501 0.996568 0.076068 Al\n0.772499 0.769067 0.576068 Al\n0.772499 0.003432 0.923932 Al\n0.894904 0.331828 0.826827 Al\n0.668172 0.105096 0.673173 Al\n0.331828 0.436924 0.173173 Al\n0.436924 0.331828 0.673173 Al\n0.331828 0.894904 0.326827 Al\n0.894904 0.563076 0.673173 Al\n0.003432 0.772499 0.423932 Al\n0.436924 0.105096 0.826827 Al\n0.105096 0.668172 0.173173 Al\n0.769067 0.996568 0.423932 Al\n0.003432 0.230933 0.076068 Al\n0.769067 0.772499 0.076068 Al\n0.227501 0.230933 0.423932 Al\n0.003749 0.230831 0.920551 P\n0.104178 0.439506 0.170107 P\n0.996251 0.769169 0.079449 P\n0.895822 0.335328 0.670107 P\n0.335328 0.895822 0.170107 P\n0.772918 0.003749 0.079449 P\n0.769169 0.772918 0.920551 P\n0.439506 0.335328 0.829893 P\n0.769169 0.996251 0.579449 P\n0.230831 0.003749 0.420551 P\n0.895822 0.560494 0.829893 P\n0.230831 0.227082 0.079449 P\n0.560494 0.895822 0.329893 P\n0.227082 0.996251 0.920551 P\n0.772918 0.769169 0.420551 P\n0.664672 0.560494 0.670107 P\n0.227082 0.230831 0.579449 P\n0.560494 0.664672 0.170107 P\n0.335328 0.439506 0.329893 P\n0.003749 0.772918 0.579449 P\n0.439506 0.104178 0.670107 P\n0.104178 0.664672 0.329893 P\n0.996251 0.227082 0.420551 P\n0.664672 0.104178 0.829893 P\n0.308752 0.322361 0.125499 O\n0.677639 0.691248 0.374501 O\n0.459023 0.906509 0.348355 O\n0.910710 0.801731 0.589296 O\n0.308752 0.986391 0.374501 O\n0.240010 0.124393 0.096864 O\n0.691248 0.677639 0.874501 O\n0.004234 0.267208 0.992722 O\n0.593762 0.665189 0.242912 O\n0.540977 0.093491 0.651645 O\n0.322361 0.013609 0.874501 O\n0.737027 0.732792 0.492722 O\n0.691248 0.013609 0.625499 O\n0.406238 0.071427 0.742912 O\n0.459023 0.552513 0.151645 O\n0.757479 0.531901 0.658537 O\n0.093491 0.552513 0.348355 O\n0.240010 0.115617 0.403136 O\n0.242521 0.774422 0.158537 O\n0.317921 0.342212 0.374046 O\n0.342212 0.317921 0.874046 O\n0.540977 0.447487 0.848355 O\n0.262973 0.267208 0.507278 O\n0.267208 0.004234 0.492722 O\n0.891021 0.801731 0.910704 O\n0.986391 0.677639 0.625499 O\n0.013609 0.322361 0.374501 O\n0.013609 0.691248 0.125499 O\n0.108979 0.910710 0.410704 O\n0.910710 0.108979 0.910704 O\n0.093491 0.540977 0.151645 O\n0.657788 0.975710 0.374046 O\n0.875607 0.115617 0.096864 O\n0.682079 0.024290 0.874046 O\n0.665189 0.071427 0.757088 O\n0.225578 0.757479 0.341463 O\n0.322361 0.308752 0.625499 O\n0.267208 0.262973 0.007278 O\n0.242521 0.468099 0.341463 O\n0.531901 0.774422 0.341463 O\n0.198270 0.108979 0.589296 O\n0.665189 0.593762 0.742912 O\n0.884383 0.124393 0.403136 O\n0.759990 0.884383 0.596864 O\n0.089290 0.891021 0.089296 O\n0.089290 0.198270 0.410704 O\n0.995766 0.262973 0.492722 O\n0.342212 0.024290 0.625954 O\n0.198270 0.089290 0.910704 O\n0.884383 0.759990 0.096864 O\n0.906509 0.447487 0.651645 O\n0.801731 0.891021 0.410704 O\n0.225578 0.468099 0.158537 O\n0.447487 0.540977 0.348355 O\n0.334811 0.406238 0.257088 O\n0.732792 0.737027 0.992722 O\n0.334811 0.928573 0.242912 O\n0.975710 0.317921 0.625954 O\n0.552513 0.459023 0.651645 O\n0.677639 0.986391 0.125499 O\n0.406238 0.334811 0.757088 O\n0.004234 0.737027 0.507278 O\n0.986391 0.308752 0.874501 O\n0.801731 0.910710 0.089296 O\n0.875607 0.759990 0.403136 O\n0.891021 0.089290 0.589296 O\n0.468099 0.225578 0.658537 O\n0.593762 0.928573 0.257088 O\n0.115617 0.240010 0.903136 O\n0.757479 0.225578 0.841463 O\n0.928573 0.593762 0.757088 O\n0.108979 0.198270 0.089296 O\n0.071427 0.665189 0.257088 O\n0.262973 0.995766 0.992722 O\n0.447487 0.906509 0.151645 O\n0.124393 0.884383 0.903136 O\n0.024290 0.342212 0.125954 O\n0.071427 0.406238 0.242912 O\n0.995766 0.732792 0.007278 O\n0.906509 0.459023 0.848355 O\n0.124393 0.240010 0.596864 O\n0.115617 0.875607 0.596864 O\n0.975710 0.657788 0.874046 O\n0.317921 0.975710 0.125954 O\n0.774422 0.242521 0.658537 O\n0.732792 0.995766 0.507278 O\n0.657788 0.682079 0.125954 O\n0.737027 0.004234 0.007278 O\n0.024290 0.682079 0.374046 O\n0.682079 0.657788 0.625954 O\n0.774422 0.531901 0.841463 O\n0.531901 0.757479 0.158537 O\n0.552513 0.093491 0.848355 O\n0.759990 0.875607 0.903136 O\n0.928573 0.334811 0.742912 O\n0.468099 0.242521 0.841463 O\n",
"nsites": 144,
"nelements": 3,
"elements": [
"Al",
"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 1.4452722605767314,
"density_atomic": 0.042821284036228646,
"volume": 3362.8136857869517,
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"formula_full": "Al24 P24 O96",
"formula_reduced": "AlPO4",
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"updated_at": "2021-11-28T01:37:54.388000Z",
"spacegroup": 163
},
{
"id": "mp-1099990",
"created_at": "2022-09-04T14:47:28.175397Z",
"structure_string": "Ba4 Sr28 Co16 Cu16 O80\n1.0\n0.019673 0.011230 11.094985\n11.073435 -0.014004 0.019780\n-5.565595 16.062091 -5.542180\nBa Sr Co Cu O\n4 28 16 16 80\ndirect\n0.307901 0.060313 0.119811 Ba\n0.310042 0.558094 0.118655 Ba\n0.809516 0.059718 0.119715 Ba\n0.057286 0.811854 0.119659 Ba\n0.308411 0.057739 0.612108 Sr\n0.303192 0.557298 0.611604 Sr\n0.808020 0.058506 0.611239 Sr\n0.805003 0.556141 0.111598 Sr\n0.803966 0.559059 0.611979 Sr\n0.193218 0.443917 0.389090 Sr\n0.196075 0.438491 0.885795 Sr\n0.195497 0.942359 0.388921 Sr\n0.192167 0.943430 0.885655 Sr\n0.693219 0.443619 0.388633 Sr\n0.690383 0.442347 0.885348 Sr\n0.696327 0.945432 0.387193 Sr\n0.693466 0.940510 0.886270 Sr\n0.055866 0.304549 0.110069 Sr\n0.056216 0.303365 0.611722 Sr\n0.055696 0.799771 0.611242 Sr\n0.555675 0.307833 0.111797 Sr\n0.560225 0.307182 0.613275 Sr\n0.559241 0.801961 0.111090 Sr\n0.553869 0.806710 0.612971 Sr\n0.446391 0.198465 0.391401 Sr\n0.442958 0.196559 0.885967 Sr\n0.443235 0.698542 0.390890 Sr\n0.444570 0.692358 0.884651 Sr\n0.945791 0.196670 0.390075 Sr\n0.942660 0.193629 0.884496 Sr\n0.946609 0.693032 0.390391 Sr\n0.940545 0.694416 0.885467 Sr\n0.994504 0.996763 0.990543 Co\n0.000975 0.999482 0.500815 Co\n0.995980 0.496278 0.994909 Co\n0.999737 0.498855 0.501577 Co\n0.496942 0.998114 0.995533 Co\n0.501544 0.000587 0.501383 Co\n0.499379 0.498268 0.996089 Co\n0.499923 0.500560 0.500043 Co\n0.248033 0.248186 0.996041 Co\n0.251289 0.251804 0.501707 Co\n0.247069 0.746115 0.992118 Co\n0.249598 0.749768 0.501365 Co\n0.748223 0.249700 0.997543 Co\n0.752520 0.251736 0.501556 Co\n0.746928 0.747124 0.995260 Co\n0.749723 0.750378 0.498933 Co\n0.121255 0.111144 0.257738 Cu\n0.114234 0.098430 0.748064 Cu\n0.110265 0.595623 0.249627 Cu\n0.113250 0.596898 0.748507 Cu\n0.619427 0.104808 0.251225 Cu\n0.613755 0.100245 0.749203 Cu\n0.621232 0.603683 0.254702 Cu\n0.614090 0.600600 0.748659 Cu\n0.365889 0.400330 0.253164 Cu\n0.364086 0.398154 0.746921 Cu\n0.374943 0.899424 0.255159 Cu\n0.364178 0.900269 0.750023 Cu\n0.863536 0.403418 0.250474 Cu\n0.865798 0.400118 0.749990 Cu\n0.865450 0.893022 0.252720 Cu\n0.862276 0.899544 0.746763 Cu\n0.120539 0.114368 0.497594 O\n0.122206 0.127581 0.992909 O\n0.122175 0.622650 0.495357 O\n0.129302 0.630166 0.992303 O\n0.632318 0.131860 0.496693 O\n0.628316 0.132179 0.993891 O\n0.612979 0.620787 0.496794 O\n0.624956 0.625582 0.994199 O\n0.116080 0.379164 0.998617 O\n0.123464 0.376112 0.504379 O\n0.115006 0.881247 0.996939 O\n0.134856 0.868900 0.504793 O\n0.618433 0.383170 0.001232 O\n0.629914 0.377451 0.507062 O\n0.616069 0.879882 0.999705 O\n0.623935 0.884054 0.504132 O\n0.382120 0.119817 0.497193 O\n0.378563 0.115314 0.993101 O\n0.365082 0.630874 0.497394 O\n0.380838 0.614555 0.993652 O\n0.872380 0.122952 0.494693 O\n0.879338 0.115115 0.993275 O\n0.871800 0.618468 0.496906 O\n0.876478 0.612870 0.992818 O\n0.373628 0.370631 0.999481 O\n0.383484 0.387241 0.505912 O\n0.367608 0.866056 0.998621 O\n0.376480 0.878437 0.506284 O\n0.866302 0.367534 0.998976 O\n0.870815 0.371305 0.504218 O\n0.869265 0.871661 0.997810 O\n0.886517 0.883464 0.505505 O\n0.072497 0.093463 0.145721 O\n0.076448 0.083610 0.636565 O\n0.061581 0.571279 0.135271 O\n0.071282 0.581138 0.636253 O\n0.569391 0.087067 0.138164 O\n0.576072 0.085527 0.637308 O\n0.580786 0.585966 0.141999 O\n0.574678 0.587533 0.637442 O\n0.433713 0.413844 0.365324 O\n0.437470 0.414282 0.859408 O\n0.441584 0.912323 0.366203 O\n0.439077 0.916163 0.861976 O\n0.935783 0.414173 0.362136 O\n0.938783 0.415529 0.862041 O\n0.936378 0.909873 0.364791 O\n0.935697 0.914280 0.858998 O\n0.325601 0.313387 0.138827 O\n0.323706 0.302372 0.633924 O\n0.331695 0.812356 0.141891 O\n0.324007 0.801814 0.639005 O\n0.822806 0.314527 0.135838 O\n0.827279 0.302440 0.638600 O\n0.815999 0.802023 0.138600 O\n0.820356 0.804170 0.634206 O\n0.190657 0.203836 0.370266 O\n0.186724 0.193414 0.860258 O\n0.187467 0.696594 0.360072 O\n0.188993 0.695786 0.860373 O\n0.693148 0.200638 0.362246 O\n0.686820 0.196771 0.860977 O\n0.692085 0.700278 0.367604 O\n0.685176 0.694134 0.861330 O\n0.471638 0.048473 0.262924 O\n0.452186 0.051685 0.749043 O\n0.468547 0.546905 0.262099 O\n0.451085 0.550562 0.747335 O\n0.971824 0.036783 0.260762 O\n0.952376 0.050307 0.747624 O\n0.948754 0.557050 0.251935 O\n0.950373 0.553060 0.748547 O\n0.201960 0.446257 0.249892 O\n0.201007 0.444033 0.748534 O\n0.223521 0.970057 0.260347 O\n0.201511 0.945788 0.748315 O\n0.701666 0.445190 0.251247 O\n0.703414 0.449170 0.750003 O\n0.706225 0.951575 0.248688 O\n0.701660 0.947768 0.749518 O\n",
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"elements": [
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"Sr",
"Co",
"Cu",
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],
"chemical_system": "Ba-Co-Cu-O-Sr",
"density": 5.253172044530631,
"density_atomic": 0.07297788596339645,
"volume": 1973.2004853117578,
"volume_molar": 8.252007687672027,
"formula_full": "Ba4 Sr28 Co16 Cu16 O80",
"formula_reduced": "BaSr7Co4(CuO5)4",
"formula_anonymous": "AB4C4D7E20",
"energy": -915.37167832,
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"updated_at": "2021-11-28T01:38:13.938000Z",
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},
{
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"created_at": "2022-09-04T14:44:58.362330Z",
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},
{
"id": "mp-1099871",
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}
]
}