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{
"count": 146323,
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{
"id": "mp-1099682",
"created_at": "2022-09-04T14:44:15.785570Z",
"structure_string": "Ba4 Sr28 Ti32 O80\n1.0\n-0.011455 0.011024 11.314798\n11.283031 -0.007520 -0.011503\n-5.644471 15.839322 -5.636832\nBa Sr Ti O\n4 28 32 80\ndirect\n0.308179 0.060962 0.122202 Ba\n0.307212 0.562850 0.122015 Ba\n0.808145 0.062830 0.121440 Ba\n0.058013 0.809144 0.121682 Ba\n0.304643 0.057613 0.612563 Sr\n0.305662 0.562558 0.615014 Sr\n0.804679 0.062521 0.614546 Sr\n0.805819 0.556411 0.113497 Sr\n0.805644 0.560898 0.614883 Sr\n0.191366 0.440922 0.385389 Sr\n0.191830 0.441634 0.886025 Sr\n0.189992 0.938123 0.382639 Sr\n0.189970 0.938298 0.884378 Sr\n0.690468 0.442402 0.384652 Sr\n0.689441 0.438190 0.883012 Sr\n0.689548 0.938766 0.382881 Sr\n0.689825 0.938936 0.884548 Sr\n0.054238 0.306392 0.114165 Sr\n0.055765 0.304718 0.613593 Sr\n0.056281 0.803711 0.616145 Sr\n0.555791 0.308354 0.114565 Sr\n0.556996 0.303087 0.614202 Sr\n0.556400 0.804155 0.116269 Sr\n0.555894 0.803189 0.614771 Sr\n0.438289 0.190533 0.384378 Sr\n0.441090 0.194729 0.884930 Sr\n0.440280 0.695216 0.384571 Sr\n0.440478 0.696901 0.884036 Sr\n0.941896 0.196375 0.384396 Sr\n0.939084 0.195602 0.882861 Sr\n0.942319 0.695236 0.387516 Sr\n0.941534 0.696650 0.885189 Sr\n0.996484 0.000083 0.997628 Ti\n0.997901 0.999477 0.499439 Ti\n0.995963 0.498013 0.997745 Ti\n0.998739 0.500614 0.500887 Ti\n0.496628 0.999901 0.998449 Ti\n0.498288 0.998866 0.499437 Ti\n0.498257 0.499920 0.998886 Ti\n0.498758 0.498759 0.500160 Ti\n0.247435 0.249367 0.998543 Ti\n0.248100 0.249931 0.499442 Ti\n0.248447 0.750256 0.998813 Ti\n0.248353 0.749914 0.500159 Ti\n0.746927 0.250207 0.998311 Ti\n0.749118 0.250699 0.499468 Ti\n0.745896 0.748040 0.997896 Ti\n0.749248 0.750963 0.500504 Ti\n0.118786 0.115845 0.252629 Ti\n0.114369 0.109579 0.749100 Ti\n0.119380 0.611707 0.251628 Ti\n0.113320 0.611112 0.749748 Ti\n0.624286 0.112062 0.252197 Ti\n0.617444 0.110154 0.748794 Ti\n0.620279 0.612238 0.251676 Ti\n0.612446 0.612910 0.749040 Ti\n0.369613 0.388043 0.252104 Ti\n0.365065 0.389325 0.749005 Ti\n0.373228 0.887959 0.253306 Ti\n0.366513 0.889394 0.749448 Ti\n0.869867 0.393494 0.251487 Ti\n0.861949 0.388992 0.749119 Ti\n0.869748 0.882534 0.251666 Ti\n0.866449 0.887299 0.749238 Ti\n0.118273 0.120662 0.491236 O\n0.118793 0.122712 0.992658 O\n0.120711 0.622843 0.495557 O\n0.119510 0.620889 0.993037 O\n0.619223 0.121987 0.491837 O\n0.618983 0.123839 0.994228 O\n0.618354 0.620648 0.490984 O\n0.619067 0.620477 0.992726 O\n0.121167 0.373771 0.001585 O\n0.126944 0.379045 0.507647 O\n0.122922 0.875803 0.000785 O\n0.126370 0.878289 0.506164 O\n0.623813 0.376974 0.003241 O\n0.626704 0.378096 0.505863 O\n0.621627 0.874596 0.003517 O\n0.627021 0.878384 0.506565 O\n0.368874 0.120785 0.492836 O\n0.369832 0.123140 0.992770 O\n0.370211 0.621204 0.494295 O\n0.371888 0.623084 0.993832 O\n0.869968 0.121753 0.493411 O\n0.869622 0.124274 0.992729 O\n0.870316 0.622326 0.495224 O\n0.867209 0.619731 0.991847 O\n0.375653 0.375660 0.002881 O\n0.377867 0.378588 0.509442 O\n0.374973 0.875859 0.002121 O\n0.376617 0.877145 0.506745 O\n0.871751 0.375842 0.000654 O\n0.877581 0.378608 0.507271 O\n0.871616 0.875958 0.000982 O\n0.878760 0.879580 0.510362 O\n0.062346 0.080559 0.130746 O\n0.065718 0.084593 0.630018 O\n0.054851 0.568078 0.128368 O\n0.062632 0.580277 0.629432 O\n0.562100 0.081870 0.131428 O\n0.561091 0.081012 0.628440 O\n0.567911 0.576582 0.130397 O\n0.564878 0.581205 0.628885 O\n0.428824 0.413621 0.371142 O\n0.431284 0.418938 0.868428 O\n0.433800 0.917945 0.373273 O\n0.432549 0.923630 0.870022 O\n0.933285 0.423821 0.372067 O\n0.932458 0.421329 0.868573 O\n0.929512 0.914136 0.371872 O\n0.930300 0.922562 0.869214 O\n0.312790 0.305593 0.129995 O\n0.310305 0.294035 0.630012 O\n0.316411 0.808727 0.130138 O\n0.310686 0.799433 0.629105 O\n0.813106 0.311104 0.128707 O\n0.811868 0.299196 0.628475 O\n0.809667 0.796492 0.130015 O\n0.808239 0.796509 0.629188 O\n0.184430 0.207783 0.372793 O\n0.182016 0.200554 0.867995 O\n0.182075 0.698664 0.372411 O\n0.183123 0.697283 0.869675 O\n0.688736 0.207229 0.370583 O\n0.677941 0.198628 0.868891 O\n0.690962 0.702967 0.371492 O\n0.679812 0.697919 0.868888 O\n0.499798 0.007215 0.258538 O\n0.471024 0.020625 0.747543 O\n0.490684 0.510587 0.257876 O\n0.472840 0.516808 0.747197 O\n0.997779 0.003003 0.257132 O\n0.972745 0.016281 0.747187 O\n0.974715 0.524856 0.253335 O\n0.972531 0.519003 0.748415 O\n0.232715 0.490381 0.252564 O\n0.223002 0.479229 0.748571 O\n0.249193 0.005316 0.257897 O\n0.222257 0.980349 0.749109 O\n0.723968 0.472775 0.251226 O\n0.722788 0.479598 0.748307 O\n0.741865 0.992936 0.251864 O\n0.722114 0.980643 0.748633 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Ba",
"Sr",
"Ti",
"O"
],
"chemical_system": "Ba-O-Sr-Ti",
"density": 4.774139524695182,
"density_atomic": 0.0712043104614063,
"volume": 2022.349476694251,
"volume_molar": 8.457550843447999,
"formula_full": "Ba4 Sr28 Ti32 O80",
"formula_reduced": "BaSr7Ti8O20",
"formula_anonymous": "AB7C8D20",
"energy": -1172.42859139,
"energy_per_atom": -8.141865217986112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1117.46859139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.3342767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.671000Z",
"spacegroup": 1
},
{
"id": "mp-1247650",
"created_at": "2022-09-04T14:44:07.404053Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O80\n1.0\n11.029509 -0.029262 -0.158701\n-0.036767 15.442119 -0.003709\n-0.155288 0.002020 11.158396\nSr Ca Mn Cr O\n4 28 28 4 80\ndirect\n0.000769 0.111922 0.509895 Sr\n0.512662 0.376680 0.992779 Sr\n0.240916 0.389194 0.262999 Sr\n0.229814 0.121280 0.249279 Sr\n0.996643 0.111879 0.008325 Ca\n0.004958 0.612876 0.507183 Ca\n0.998466 0.612418 0.011302 Ca\n0.542900 0.129239 0.481236 Ca\n0.548450 0.127879 0.983138 Ca\n0.542800 0.629766 0.481767 Ca\n0.543451 0.628654 0.982560 Ca\n0.516261 0.372774 0.491632 Ca\n0.520132 0.872793 0.988011 Ca\n0.519425 0.874727 0.489302 Ca\n0.961742 0.385808 0.005598 Ca\n0.957767 0.387216 0.506298 Ca\n0.957542 0.879925 0.008085 Ca\n0.958938 0.882549 0.503304 Ca\n0.234193 0.396427 0.757214 Ca\n0.231778 0.890776 0.271482 Ca\n0.232595 0.891312 0.769867 Ca\n0.758416 0.381963 0.257167 Ca\n0.756918 0.372571 0.756763 Ca\n0.758495 0.872996 0.258759 Ca\n0.753806 0.873842 0.755388 Ca\n0.224684 0.115075 0.744718 Ca\n0.227383 0.619631 0.243310 Ca\n0.224521 0.621720 0.748337 Ca\n0.775741 0.116532 0.251085 Ca\n0.782232 0.121817 0.754454 Ca\n0.781386 0.624375 0.251882 Ca\n0.781536 0.622354 0.754713 Ca\n0.995106 0.993462 0.758964 Mn\n0.995456 0.498376 0.257169 Mn\n0.994121 0.497152 0.754450 Mn\n0.504551 0.987411 0.231578 Mn\n0.505711 0.989573 0.736848 Mn\n0.507748 0.496957 0.238219 Mn\n0.502553 0.492198 0.733895 Mn\n0.245509 0.996478 0.522296 Mn\n0.240533 0.503768 0.017418 Mn\n0.246063 0.504784 0.521430 Mn\n0.746483 0.000887 0.997477 Mn\n0.743755 0.001828 0.499422 Mn\n0.746972 0.503333 0.997983 Mn\n0.742831 0.503498 0.498940 Mn\n0.270561 0.247354 0.473061 Mn\n0.271922 0.744898 0.959834 Mn\n0.275024 0.742665 0.459209 Mn\n0.759516 0.248390 0.004575 Mn\n0.752167 0.248895 0.504650 Mn\n0.756569 0.746656 0.000791 Mn\n0.756392 0.746554 0.503438 Mn\n0.997804 0.254112 0.764838 Mn\n0.996345 0.752336 0.261963 Mn\n0.994855 0.752740 0.760049 Mn\n0.517660 0.251527 0.252763 Mn\n0.507312 0.248089 0.752404 Mn\n0.512815 0.746754 0.249336 Mn\n0.512068 0.746150 0.749386 Mn\n0.994842 0.996503 0.254630 Cr\n0.238412 0.995987 0.019007 Cr\n0.266709 0.241096 0.946561 Cr\n0.985505 0.253326 0.271796 Cr\n0.594283 0.251424 0.097694 O\n0.582765 0.254376 0.597146 O\n0.587583 0.754406 0.091062 O\n0.585703 0.755224 0.592380 O\n0.401038 0.199584 0.358046 O\n0.394746 0.181999 0.859961 O\n0.399960 0.679157 0.348021 O\n0.399996 0.683718 0.851411 O\n0.905580 0.237596 0.406615 O\n0.910399 0.236793 0.921006 O\n0.905800 0.733841 0.418723 O\n0.907272 0.733647 0.917864 O\n0.146217 0.252937 0.326156 O\n0.175095 0.255544 0.799766 O\n0.164659 0.751870 0.308819 O\n0.162283 0.754088 0.807744 O\n0.660230 0.226069 0.355135 O\n0.658627 0.229657 0.856147 O\n0.659851 0.727206 0.355932 O\n0.659510 0.725330 0.853479 O\n0.865277 0.276523 0.151034 O\n0.864082 0.272437 0.646748 O\n0.856292 0.771001 0.149875 O\n0.856280 0.773370 0.649597 O\n0.356846 0.512127 0.154044 O\n0.346898 0.513627 0.669225 O\n0.350314 0.006093 0.161229 O\n0.346474 0.003571 0.670480 O\n0.851919 0.484942 0.138039 O\n0.845332 0.481150 0.640608 O\n0.849845 0.978860 0.141736 O\n0.856473 0.983043 0.647891 O\n0.148213 0.005542 0.373198 O\n0.148562 0.008793 0.867045 O\n0.157268 0.512756 0.373044 O\n0.153842 0.508879 0.868765 O\n0.622572 0.025902 0.344330 O\n0.632908 0.024716 0.848903 O\n0.634422 0.527735 0.349437 O\n0.626625 0.522162 0.848757 O\n0.879508 0.012115 0.389515 O\n0.886582 0.014751 0.894851 O\n0.885273 0.518559 0.394099 O\n0.886719 0.518101 0.890610 O\n0.098010 0.475495 0.122462 O\n0.096564 0.473525 0.621208 O\n0.102699 0.970130 0.115807 O\n0.098977 0.970136 0.625767 O\n0.602320 0.500207 0.093801 O\n0.588475 0.496828 0.584731 O\n0.595020 0.995688 0.085130 O\n0.592590 0.996828 0.587717 O\n0.987734 0.378635 0.300526 O\n0.995634 0.375558 0.798483 O\n0.994965 0.873178 0.296349 O\n0.991358 0.874650 0.801084 O\n0.481723 0.376945 0.281136 O\n0.463455 0.373756 0.775924 O\n0.475415 0.871960 0.284638 O\n0.481800 0.870866 0.782412 O\n0.994958 0.128021 0.221529 O\n0.003172 0.127592 0.732640 O\n0.000469 0.627566 0.222070 O\n0.999507 0.628021 0.718330 O\n0.216482 0.138887 0.027562 O\n0.233000 0.128962 0.538029 O\n0.215714 0.633722 0.035565 O\n0.220279 0.633847 0.541229 O\n0.757618 0.125156 0.037918 O\n0.753105 0.124806 0.540717 O\n0.753523 0.625529 0.038872 O\n0.749504 0.625687 0.544575 O\n0.299493 0.377489 0.499786 O\n0.280541 0.360461 0.998065 O\n0.299585 0.875529 0.486352 O\n0.299499 0.877229 0.982436 O\n0.738119 0.378386 0.466312 O\n0.745637 0.377569 0.966718 O\n0.740865 0.874196 0.468603 O\n0.741824 0.872493 0.964614 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 3.931669268400707,
"density_atomic": 0.07578571417162719,
"volume": 1900.094253567264,
"volume_molar": 7.946274341839719,
"formula_full": "Sr4 Ca28 Mn28 Cr4 O80",
"formula_reduced": "SrCa7Mn7CrO20",
"formula_anonymous": "ABC7D7E20",
"energy": -1118.41883451,
"energy_per_atom": -7.766797461874999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1008.75883451,
"band_gap": 0.1989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 123.9999051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.386000Z",
"spacegroup": 1
},
{
"id": "mp-1076765",
"created_at": "2022-09-04T14:43:53.788327Z",
"structure_string": "La16 Sm16 Ni28 Ag4 O80\n1.0\n0.018649 0.006313 11.019385\n11.486948 -0.045669 0.019562\n-5.812572 15.577070 -5.509890\nLa Sm Ni Ag O\n16 16 28 4 80\ndirect\n0.306102 0.060909 0.607859 La\n0.309760 0.564329 0.610442 La\n0.802721 0.062430 0.608967 La\n0.804666 0.563077 0.611255 La\n0.196229 0.436432 0.388627 La\n0.192586 0.438923 0.887241 La\n0.693542 0.436188 0.388196 La\n0.692586 0.936941 0.388464 La\n0.053887 0.296584 0.609062 La\n0.053042 0.799232 0.610533 La\n0.557176 0.297882 0.609405 La\n0.442995 0.200091 0.387688 La\n0.440320 0.204032 0.889471 La\n0.946500 0.200393 0.388256 La\n0.942551 0.198551 0.885794 La\n0.946908 0.704742 0.389811 La\n0.298516 0.067990 0.113948 Sm\n0.310196 0.564665 0.116546 Sm\n0.795170 0.070128 0.112507 Sm\n0.797971 0.557031 0.117363 Sm\n0.192779 0.934734 0.389802 Sm\n0.189061 0.934899 0.887050 Sm\n0.678177 0.434261 0.885677 Sm\n0.681554 0.934644 0.878958 Sm\n0.054478 0.300014 0.114935 Sm\n0.060929 0.796685 0.118841 Sm\n0.554355 0.301430 0.112078 Sm\n0.538840 0.795067 0.113184 Sm\n0.553707 0.792451 0.605737 Sm\n0.441019 0.706728 0.391414 Sm\n0.432289 0.697730 0.887253 Sm\n0.943283 0.706183 0.885927 Sm\n0.003906 0.999628 0.498988 Ni\n0.004228 0.499939 0.499817 Ni\n0.502639 0.998113 0.498334 Ni\n0.501730 0.499973 0.001378 Ni\n0.502544 0.499785 0.497689 Ni\n0.255736 0.254467 0.002551 Ni\n0.253802 0.248806 0.499230 Ni\n0.252574 0.750416 0.003704 Ni\n0.254573 0.749474 0.499319 Ni\n0.751853 0.252152 0.999967 Ni\n0.752380 0.250053 0.498646 Ni\n0.751510 0.748636 0.497704 Ni\n0.107573 0.097138 0.250875 Ni\n0.109636 0.097027 0.751576 Ni\n0.110463 0.600918 0.249969 Ni\n0.110162 0.601521 0.750977 Ni\n0.609118 0.095697 0.249504 Ni\n0.606354 0.098021 0.749273 Ni\n0.607732 0.600086 0.250120 Ni\n0.610211 0.603646 0.751400 Ni\n0.357985 0.401247 0.247332 Ni\n0.359219 0.403045 0.748512 Ni\n0.355831 0.900050 0.250366 Ni\n0.362469 0.899461 0.748572 Ni\n0.857462 0.397840 0.248594 Ni\n0.855505 0.403499 0.749929 Ni\n0.859283 0.898436 0.246488 Ni\n0.855200 0.896719 0.747440 Ni\n0.997946 0.002040 0.003109 Ag\n0.001525 0.500658 0.001615 Ag\n0.496789 0.002292 0.003325 Ag\n0.747287 0.746359 0.003516 Ag\n0.119038 0.116171 0.481832 O\n0.117074 0.124797 0.979173 O\n0.118048 0.618353 0.482113 O\n0.109480 0.624074 0.972480 O\n0.614892 0.118593 0.481044 O\n0.615420 0.124082 0.980383 O\n0.610414 0.620195 0.477066 O\n0.596663 0.606300 0.964201 O\n0.149197 0.386470 0.039751 O\n0.136727 0.382464 0.520380 O\n0.140017 0.881653 0.031272 O\n0.135541 0.880957 0.517036 O\n0.635055 0.383685 0.022992 O\n0.635631 0.384074 0.517169 O\n0.636152 0.886988 0.041574 O\n0.631520 0.877907 0.517117 O\n0.361701 0.105919 0.477404 O\n0.349048 0.109438 0.968449 O\n0.368448 0.614375 0.478473 O\n0.367825 0.616376 0.985406 O\n0.867437 0.113136 0.481659 O\n0.846227 0.105419 0.967548 O\n0.866427 0.612178 0.480588 O\n0.847941 0.596002 0.956268 O\n0.388096 0.391561 0.024703 O\n0.385321 0.385842 0.516638 O\n0.378985 0.889921 0.029982 O\n0.388463 0.882795 0.517016 O\n0.883900 0.391570 0.031668 O\n0.885828 0.387175 0.518219 O\n0.887177 0.893199 0.037022 O\n0.884768 0.886206 0.516746 O\n0.131234 0.140734 0.159635 O\n0.084336 0.107349 0.638617 O\n0.140695 0.637754 0.159148 O\n0.082437 0.612527 0.638519 O\n0.629221 0.144286 0.159776 O\n0.584214 0.108793 0.637053 O\n0.596760 0.613397 0.138380 O\n0.577187 0.609550 0.635275 O\n0.441438 0.388072 0.360083 O\n0.447470 0.389450 0.860471 O\n0.447042 0.889067 0.362060 O\n0.471185 0.861568 0.846841 O\n0.944369 0.390065 0.361841 O\n0.966597 0.364133 0.844036 O\n0.954986 0.893932 0.361495 O\n0.977606 0.870015 0.843249 O\n0.360746 0.274728 0.139487 O\n0.337581 0.279241 0.636641 O\n0.347251 0.776110 0.140545 O\n0.340790 0.779803 0.634470 O\n0.852798 0.275975 0.137761 O\n0.824843 0.280571 0.634694 O\n0.883990 0.756570 0.156333 O\n0.823763 0.776156 0.632461 O\n0.190524 0.221520 0.365047 O\n0.200063 0.224792 0.862904 O\n0.201629 0.724336 0.363552 O\n0.214668 0.724116 0.863339 O\n0.692890 0.219816 0.364124 O\n0.696166 0.226692 0.861603 O\n0.700001 0.721720 0.361663 O\n0.730285 0.737638 0.842715 O\n0.424241 0.060793 0.245648 O\n0.425383 0.065281 0.749808 O\n0.427832 0.569272 0.252995 O\n0.427812 0.568258 0.753541 O\n0.921501 0.063645 0.244826 O\n0.925565 0.059123 0.747469 O\n0.925234 0.560460 0.248915 O\n0.929882 0.566695 0.753139 O\n0.174725 0.435123 0.247365 O\n0.178976 0.437850 0.748738 O\n0.175102 0.934811 0.253862 O\n0.182893 0.934522 0.753945 O\n0.674556 0.435827 0.245312 O\n0.671999 0.436455 0.752805 O\n0.673337 0.928575 0.247043 O\n0.670620 0.932442 0.745285 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Ni",
"Ag",
"O"
],
"chemical_system": "Ag-La-Ni-O-Sm",
"density": 6.731769292648217,
"density_atomic": 0.07312598478412181,
"volume": 1969.2042496946638,
"volume_molar": 8.235295261702397,
"formula_full": "La16 Sm16 Ni28 Ag4 O80",
"formula_reduced": "La4Sm4Ni7AgO20",
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"energy": -1076.96175975,
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"formation_energy": null,
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"energy_uncorrected": -950.85375975,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 53.9662353,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.711000Z",
"spacegroup": 1
},
{
"id": "mp-1076502",
"created_at": "2022-09-04T14:43:20.506105Z",
"structure_string": "Sr16 Ca16 Fe12 Co20 O80\n1.0\n0.018480 -0.008169 10.775164\n11.230821 -0.003312 0.018703\n-5.629296 15.675813 -5.408225\nSr Ca Fe Co O\n16 16 12 20 80\ndirect\n0.307083 0.561796 0.611093 Sr\n0.807853 0.067648 0.608743 Sr\n0.806170 0.564041 0.611662 Sr\n0.189312 0.432425 0.383191 Sr\n0.197896 0.438577 0.896078 Sr\n0.694383 0.434833 0.382434 Sr\n0.694770 0.933840 0.384968 Sr\n0.703236 0.939307 0.895219 Sr\n0.060005 0.293673 0.610144 Sr\n0.056334 0.797523 0.610334 Sr\n0.561801 0.299474 0.610539 Sr\n0.553757 0.797703 0.609674 Sr\n0.447787 0.199903 0.385302 Sr\n0.450956 0.204144 0.894018 Sr\n0.946578 0.199278 0.384446 Sr\n0.950254 0.205108 0.895453 Sr\n0.307834 0.069720 0.105098 Ca\n0.307051 0.065553 0.606122 Ca\n0.302108 0.565906 0.108974 Ca\n0.807185 0.070872 0.106757 Ca\n0.804005 0.563040 0.109932 Ca\n0.197235 0.927229 0.387491 Ca\n0.202586 0.935995 0.898264 Ca\n0.696158 0.435175 0.899070 Ca\n0.054329 0.291478 0.107117 Ca\n0.051692 0.789443 0.108204 Ca\n0.552449 0.292364 0.106152 Ca\n0.553151 0.786465 0.104916 Ca\n0.440738 0.710320 0.387189 Ca\n0.446717 0.715059 0.896941 Ca\n0.940116 0.702171 0.387405 Ca\n0.949581 0.715217 0.898584 Ca\n0.113675 0.089859 0.754760 Fe\n0.109347 0.597309 0.755640 Fe\n0.603883 0.083777 0.242009 Fe\n0.605172 0.095055 0.750598 Fe\n0.609684 0.593948 0.757966 Fe\n0.353081 0.413645 0.245027 Fe\n0.362069 0.411862 0.755168 Fe\n0.348438 0.904115 0.244651 Fe\n0.356515 0.907537 0.752273 Fe\n0.858231 0.417067 0.759074 Fe\n0.858540 0.901920 0.243256 Fe\n0.861599 0.908424 0.752437 Fe\n0.012013 0.001841 0.005529 Co\n0.003365 0.994687 0.493197 Co\n0.004541 0.501240 0.002744 Co\n0.001794 0.499260 0.499014 Co\n0.511873 0.003546 0.006454 Co\n0.502770 0.999153 0.496892 Co\n0.506444 0.501485 0.003029 Co\n0.500620 0.494875 0.490675 Co\n0.259005 0.252443 0.005254 Co\n0.255481 0.245651 0.497019 Co\n0.258753 0.753159 0.005635 Co\n0.250378 0.747108 0.495174 Co\n0.758964 0.255208 0.006407 Co\n0.754092 0.248928 0.494261 Co\n0.758334 0.749234 0.003090 Co\n0.749817 0.749056 0.497141 Co\n0.107550 0.088550 0.245121 Co\n0.103115 0.595968 0.246157 Co\n0.606222 0.593989 0.245174 Co\n0.854748 0.408327 0.244907 Co\n0.126812 0.105118 0.489596 O\n0.130196 0.116405 0.994153 O\n0.112554 0.614741 0.486471 O\n0.120112 0.626079 0.994029 O\n0.626391 0.122349 0.488732 O\n0.630105 0.123831 0.996668 O\n0.610945 0.618983 0.487894 O\n0.620172 0.619274 0.988863 O\n0.137698 0.382534 0.020413 O\n0.131760 0.374174 0.505753 O\n0.143527 0.875930 0.013640 O\n0.133476 0.863701 0.500825 O\n0.638540 0.383649 0.017878 O\n0.635835 0.376090 0.505596 O\n0.643538 0.873695 0.015408 O\n0.624769 0.876734 0.501688 O\n0.376459 0.112911 0.489085 O\n0.375575 0.116579 0.992379 O\n0.363430 0.626808 0.486634 O\n0.373371 0.628303 0.993414 O\n0.875526 0.122929 0.489591 O\n0.881316 0.123320 0.998264 O\n0.869698 0.621406 0.487367 O\n0.869941 0.622525 0.990157 O\n0.387624 0.389831 0.017286 O\n0.385333 0.385566 0.502746 O\n0.393748 0.885776 0.017118 O\n0.377970 0.883064 0.507429 O\n0.884053 0.388868 0.015670 O\n0.883897 0.381956 0.503636 O\n0.895611 0.885847 0.018542 O\n0.886293 0.881953 0.502191 O\n0.097187 0.103797 0.143924 O\n0.096282 0.088509 0.643514 O\n0.082853 0.604857 0.141687 O\n0.077479 0.594097 0.641918 O\n0.592926 0.107080 0.139918 O\n0.583819 0.094758 0.639778 O\n0.586236 0.604683 0.140856 O\n0.582264 0.594917 0.646240 O\n0.436203 0.404567 0.355306 O\n0.448685 0.403927 0.863894 O\n0.436151 0.898469 0.355045 O\n0.450352 0.898930 0.860807 O\n0.932064 0.403165 0.352153 O\n0.946533 0.404556 0.866010 O\n0.945105 0.896730 0.354945 O\n0.950953 0.898582 0.861376 O\n0.341988 0.288996 0.140144 O\n0.337178 0.293549 0.644568 O\n0.335499 0.782053 0.138920 O\n0.325498 0.792773 0.641162 O\n0.844231 0.293605 0.142204 O\n0.837924 0.304795 0.648604 O\n0.840706 0.777972 0.137386 O\n0.829394 0.797616 0.640023 O\n0.185679 0.196185 0.353148 O\n0.194073 0.207591 0.864892 O\n0.194180 0.704321 0.353658 O\n0.205135 0.715345 0.863184 O\n0.687993 0.198383 0.352652 O\n0.688110 0.212171 0.861382 O\n0.693241 0.696258 0.353811 O\n0.706969 0.710936 0.865238 O\n0.422374 0.056907 0.238721 O\n0.423260 0.062865 0.744823 O\n0.424227 0.573032 0.247769 O\n0.431080 0.574853 0.760752 O\n0.923249 0.057576 0.238353 O\n0.933535 0.065031 0.751466 O\n0.924456 0.571232 0.248898 O\n0.933075 0.577043 0.762654 O\n0.171726 0.433193 0.239594 O\n0.182679 0.439315 0.753729 O\n0.169940 0.924878 0.246521 O\n0.181543 0.932590 0.761030 O\n0.671686 0.431342 0.237872 O\n0.678624 0.435598 0.761415 O\n0.676069 0.924906 0.238441 O\n0.684082 0.941035 0.753254 O\n",
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"elements": [
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"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.528937617529501,
"density_atomic": 0.07593772940673711,
"volume": 1896.2905676137384,
"volume_molar": 7.9303671666876605,
"formula_full": "Sr16 Ca16 Fe12 Co20 O80",
"formula_reduced": "Sr4Ca4Fe3(CoO4)5",
"formula_anonymous": "A3B4C4D5E20",
"energy": -1018.62306138,
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"updated_at": "2021-11-28T01:36:08.582000Z",
"spacegroup": 1
},
{
"id": "mp-1076892",
"created_at": "2022-09-04T14:43:24.211510Z",
"structure_string": "Ba4 Sr28 Fe28 Co4 O80\n1.0\n0.008408 0.005719 11.146960\n11.525927 -0.020449 0.008736\n-5.795119 16.020510 -5.570250\nBa Sr Fe Co O\n4 28 28 4 80\ndirect\n0.309851 0.061376 0.113726 Ba\n0.305380 0.562662 0.113697 Ba\n0.810502 0.061330 0.114003 Ba\n0.054742 0.804600 0.113197 Ba\n0.305459 0.064954 0.609293 Sr\n0.305545 0.563671 0.609569 Sr\n0.805755 0.065290 0.608920 Sr\n0.807046 0.563717 0.108333 Sr\n0.805853 0.563766 0.609026 Sr\n0.197704 0.438800 0.391539 Sr\n0.190070 0.435218 0.889527 Sr\n0.197365 0.935026 0.393137 Sr\n0.196689 0.936920 0.889239 Sr\n0.696455 0.437046 0.390676 Sr\n0.698200 0.433774 0.888995 Sr\n0.697591 0.934828 0.392271 Sr\n0.696205 0.938043 0.889196 Sr\n0.056905 0.295504 0.107385 Sr\n0.056046 0.294692 0.609859 Sr\n0.055575 0.795959 0.609525 Sr\n0.554560 0.293131 0.107118 Sr\n0.555874 0.294233 0.609429 Sr\n0.560685 0.793146 0.108882 Sr\n0.556313 0.795859 0.609294 Sr\n0.447532 0.207055 0.395237 Sr\n0.447845 0.202370 0.889163 Sr\n0.447427 0.703592 0.393541 Sr\n0.447547 0.703856 0.889225 Sr\n0.948705 0.207634 0.394100 Sr\n0.944672 0.206895 0.888545 Sr\n0.947534 0.703132 0.392688 Sr\n0.944741 0.706493 0.888102 Sr\n0.003039 0.998789 0.499179 Fe\n0.004764 0.500714 0.501702 Fe\n0.503996 0.998906 0.499474 Fe\n0.500038 0.495305 0.992581 Fe\n0.504565 0.500238 0.501727 Fe\n0.249748 0.245483 0.993131 Fe\n0.253555 0.250452 0.499914 Fe\n0.249804 0.747193 0.990637 Fe\n0.254818 0.751091 0.502324 Fe\n0.753849 0.249242 0.998588 Fe\n0.754048 0.249984 0.499606 Fe\n0.754711 0.750576 0.501320 Fe\n0.116393 0.098160 0.260844 Fe\n0.107006 0.089298 0.748534 Fe\n0.104825 0.589819 0.252342 Fe\n0.107229 0.589113 0.748733 Fe\n0.615343 0.094417 0.257298 Fe\n0.606927 0.089705 0.748467 Fe\n0.613959 0.590540 0.252839 Fe\n0.605600 0.588325 0.747428 Fe\n0.359571 0.409262 0.252529 Fe\n0.356861 0.408658 0.749259 Fe\n0.368147 0.912151 0.256396 Fe\n0.357094 0.908400 0.747188 Fe\n0.857881 0.410520 0.249680 Fe\n0.855953 0.409209 0.746818 Fe\n0.859430 0.907508 0.256577 Fe\n0.856156 0.909137 0.745654 Fe\n0.997995 0.996123 0.987332 Co\n0.999986 0.499076 0.996115 Co\n0.498983 0.995376 0.989983 Co\n0.747148 0.742979 0.986771 Co\n0.124447 0.122640 0.493289 O\n0.118998 0.120143 0.988164 O\n0.124338 0.622169 0.493196 O\n0.120727 0.623038 0.987773 O\n0.624879 0.122345 0.492793 O\n0.625539 0.124251 0.989432 O\n0.624489 0.621563 0.492232 O\n0.619821 0.614332 0.988656 O\n0.127471 0.371065 0.001469 O\n0.132264 0.380087 0.510295 O\n0.127192 0.874957 0.998308 O\n0.133020 0.877713 0.509958 O\n0.629768 0.377844 0.005049 O\n0.632920 0.378804 0.509172 O\n0.637349 0.861504 0.003152 O\n0.633476 0.877388 0.509643 O\n0.374672 0.119389 0.493408 O\n0.369987 0.123200 0.987937 O\n0.374464 0.619738 0.493002 O\n0.373136 0.616504 0.988911 O\n0.875439 0.119932 0.493560 O\n0.876285 0.120852 0.988341 O\n0.875274 0.618980 0.493021 O\n0.863295 0.625066 0.988237 O\n0.380804 0.377900 0.001689 O\n0.384250 0.383091 0.511984 O\n0.381708 0.870583 0.002705 O\n0.382413 0.880287 0.509358 O\n0.877538 0.379816 0.003265 O\n0.884223 0.382891 0.510041 O\n0.880530 0.882172 0.998025 O\n0.883350 0.880844 0.510441 O\n0.087381 0.113010 0.156604 O\n0.082712 0.095684 0.640536 O\n0.073153 0.593246 0.144244 O\n0.082462 0.596093 0.640574 O\n0.585866 0.107129 0.151910 O\n0.582059 0.095054 0.639961 O\n0.584447 0.596591 0.144563 O\n0.581256 0.595392 0.639276 O\n0.439704 0.402829 0.361790 O\n0.441353 0.402716 0.857415 O\n0.447408 0.902081 0.364804 O\n0.442649 0.898833 0.853142 O\n0.942257 0.404699 0.358986 O\n0.937657 0.399393 0.852254 O\n0.941735 0.904045 0.366590 O\n0.943083 0.896717 0.849731 O\n0.331704 0.306919 0.140266 O\n0.330951 0.295076 0.640459 O\n0.338032 0.808174 0.144940 O\n0.330130 0.794208 0.637860 O\n0.831654 0.305255 0.137634 O\n0.830262 0.295470 0.637752 O\n0.829199 0.795734 0.148900 O\n0.828847 0.793858 0.636653 O\n0.196388 0.213356 0.369809 O\n0.189836 0.202829 0.857494 O\n0.191125 0.704154 0.361852 O\n0.192500 0.702278 0.857569 O\n0.700466 0.209026 0.366681 O\n0.688405 0.203097 0.857393 O\n0.697908 0.704476 0.362945 O\n0.689119 0.704120 0.855010 O\n0.448900 0.064113 0.263080 O\n0.434398 0.059299 0.747835 O\n0.447299 0.559372 0.260154 O\n0.434190 0.558395 0.748341 O\n0.948546 0.055409 0.261937 O\n0.934225 0.060496 0.747422 O\n0.932051 0.563543 0.252619 O\n0.935109 0.560128 0.748032 O\n0.186776 0.440781 0.251342 O\n0.184675 0.438886 0.749498 O\n0.201639 0.952126 0.261397 O\n0.185279 0.938944 0.748506 O\n0.686090 0.436714 0.250365 O\n0.683497 0.439074 0.748170 O\n0.687035 0.940312 0.253364 O\n0.684724 0.939458 0.748429 O\n",
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"elements": [
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"Sr",
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"chemical_system": "Ba-Co-Fe-O-Sr",
"density": 4.908956479135081,
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"volume": 2057.345561664036,
"volume_molar": 8.603905947432002,
"formula_full": "Ba4 Sr28 Fe28 Co4 O80",
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"updated_at": "2021-11-28T01:36:12.905000Z",
"spacegroup": 1
},
{
"id": "mp-557237",
"created_at": "2022-09-04T14:43:24.542731Z",
"structure_string": "K20 In12 Si28 O84\n1.0\n10.419934 0.000000 0.000000\n0.000000 12.698733 0.000000\n0.000000 0.000000 17.118055\nK In Si O\n20 12 28 84\ndirect\n0.407749 0.568074 0.895847 K\n0.040710 0.386103 0.345748 K\n0.263068 0.824120 0.553031 K\n0.887364 0.906174 0.865340 K\n0.907749 0.931926 0.395847 K\n0.907749 0.431926 0.104153 K\n0.430034 0.761881 0.159140 K\n0.930034 0.238119 0.840860 K\n0.387364 0.093826 0.134660 K\n0.387364 0.593826 0.365340 K\n0.407749 0.068074 0.604153 K\n0.930034 0.738119 0.659140 K\n0.540710 0.113897 0.845748 K\n0.763068 0.175880 0.446969 K\n0.763068 0.675880 0.053031 K\n0.430034 0.261881 0.340860 K\n0.540710 0.613897 0.654252 K\n0.887364 0.406174 0.634660 K\n0.040710 0.886103 0.154252 K\n0.263068 0.324120 0.946969 K\n0.776029 0.567523 0.859877 In\n0.792626 0.141158 0.048959 In\n0.289827 0.312087 0.732417 In\n0.776029 0.067523 0.640123 In\n0.789827 0.687913 0.267583 In\n0.289827 0.812087 0.767583 In\n0.292626 0.358842 0.548959 In\n0.792626 0.641158 0.451041 In\n0.292626 0.858842 0.951041 In\n0.276029 0.432477 0.140123 In\n0.276029 0.932477 0.359877 In\n0.789827 0.187913 0.232417 In\n0.565889 0.325945 0.106806 Si\n0.065889 0.174055 0.606806 Si\n0.702587 0.359698 0.957831 Si\n0.716899 0.428206 0.336266 Si\n0.088042 0.115013 0.292926 Si\n0.085022 0.052854 0.993779 Si\n0.588042 0.384987 0.792926 Si\n0.061942 0.980356 0.703941 Si\n0.585022 0.947146 0.006221 Si\n0.082115 0.214001 0.130965 Si\n0.716899 0.928206 0.163734 Si\n0.582115 0.285999 0.630965 Si\n0.565889 0.825945 0.393194 Si\n0.588042 0.884987 0.707074 Si\n0.061942 0.480356 0.796059 Si\n0.202587 0.640302 0.042169 Si\n0.088042 0.615013 0.207074 Si\n0.216899 0.571794 0.663734 Si\n0.585022 0.447146 0.493779 Si\n0.085022 0.552854 0.506221 Si\n0.702587 0.859698 0.542169 Si\n0.082115 0.714001 0.369035 Si\n0.065889 0.674055 0.893194 Si\n0.561942 0.019644 0.296059 Si\n0.216899 0.071794 0.836266 Si\n0.202587 0.140302 0.457831 Si\n0.582115 0.785999 0.869035 Si\n0.561942 0.519644 0.203941 Si\n0.798096 0.836851 0.206723 O\n0.667800 0.383969 0.423493 O\n0.425833 0.777262 0.863141 O\n0.069479 0.162911 0.509837 O\n0.798096 0.336851 0.293277 O\n0.626102 0.888629 0.922819 O\n0.247249 0.017639 0.464679 O\n0.247249 0.517639 0.035321 O\n0.925833 0.722738 0.363141 O\n0.637179 0.131312 0.302659 O\n0.164652 0.672600 0.133293 O\n0.164652 0.172600 0.366707 O\n0.298096 0.163149 0.793277 O\n0.432758 0.434450 0.476486 O\n0.298096 0.663149 0.706723 O\n0.408986 0.038222 0.305797 O\n0.126102 0.111371 0.077181 O\n0.130520 0.492004 0.216725 O\n0.140718 0.688485 0.281141 O\n0.137179 0.368688 0.802659 O\n0.626286 0.439196 0.138604 O\n0.747249 0.982361 0.535321 O\n0.129045 0.931060 0.001661 O\n0.801619 0.535740 0.347601 O\n0.626102 0.388629 0.577181 O\n0.301619 0.464260 0.652399 O\n0.932758 0.565550 0.523514 O\n0.626286 0.939196 0.361396 O\n0.129045 0.431060 0.498339 O\n0.569479 0.837089 0.490163 O\n0.158314 0.771625 0.866110 O\n0.640718 0.811515 0.781141 O\n0.434996 0.872559 0.691656 O\n0.640718 0.311515 0.718859 O\n0.630520 0.507996 0.783275 O\n0.667800 0.883969 0.076507 O\n0.934996 0.127441 0.308344 O\n0.167800 0.616031 0.576507 O\n0.126102 0.611371 0.422819 O\n0.301619 0.964260 0.847601 O\n0.137179 0.868688 0.697341 O\n0.637179 0.631312 0.197341 O\n0.925833 0.222738 0.136859 O\n0.629045 0.068940 0.998339 O\n0.167800 0.116031 0.923493 O\n0.934996 0.627441 0.191656 O\n0.918615 0.689421 0.863799 O\n0.434996 0.372559 0.808344 O\n0.643793 0.680505 0.905318 O\n0.569479 0.337089 0.009837 O\n0.658314 0.728375 0.366110 O\n0.418615 0.810579 0.363799 O\n0.143793 0.819495 0.405318 O\n0.918615 0.189421 0.636201 O\n0.432758 0.934450 0.023514 O\n0.816895 0.781237 0.516083 O\n0.316895 0.718763 0.016083 O\n0.816895 0.281237 0.983917 O\n0.140718 0.188485 0.218859 O\n0.908986 0.961778 0.694203 O\n0.747249 0.482361 0.964679 O\n0.580971 0.459793 0.290475 O\n0.664652 0.327400 0.866707 O\n0.658314 0.228375 0.133890 O\n0.158314 0.271625 0.633890 O\n0.080971 0.540207 0.709525 O\n0.580971 0.959793 0.209525 O\n0.316895 0.218763 0.483917 O\n0.801619 0.035740 0.152399 O\n0.126286 0.560804 0.861396 O\n0.126286 0.060804 0.638604 O\n0.629045 0.568940 0.501661 O\n0.643793 0.180505 0.594682 O\n0.069479 0.662911 0.990163 O\n0.143793 0.319495 0.094682 O\n0.425833 0.277262 0.636859 O\n0.130520 0.992004 0.283275 O\n0.080971 0.040207 0.790475 O\n0.630520 0.007996 0.716725 O\n0.408986 0.538222 0.194203 O\n0.932758 0.065550 0.976486 O\n0.418615 0.310579 0.136201 O\n0.664652 0.827400 0.633293 O\n0.908986 0.461778 0.805797 O\n",
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"elements": [
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],
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"density": 3.1451352561854375,
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"formula_full": "K20 In12 Si28 O84",
"formula_reduced": "K5In3(SiO3)7",
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},
{
"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",
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"density": 4.339740556016975,
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"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 1
},
{
"id": "mp-1203655",
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{
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{
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{
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"elements": [
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"formula_full": "P8 H48 C16 S16 N8 Cl16 O32",
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"updated_at": "2021-11-28T01:36:39.673000Z",
"spacegroup": 14
},
{
"id": "mp-1076896",
"created_at": "2022-09-04T14:45:41.317137Z",
"structure_string": "Ba16 Sr16 Co12 Cu20 O80\n1.0\n-0.045684 -0.000634 11.286508\n11.243501 0.016062 -0.045947\n-5.575810 16.081158 -5.621595\nBa Sr Co Cu O\n16 16 12 20 80\ndirect\n0.309096 0.053676 0.118718 Ba\n0.300290 0.060957 0.620823 Ba\n0.306580 0.552300 0.119308 Ba\n0.804453 0.057378 0.120388 Ba\n0.805952 0.551735 0.118572 Ba\n0.184569 0.949562 0.384930 Ba\n0.183542 0.945681 0.875819 Ba\n0.683481 0.437794 0.873048 Ba\n0.056211 0.316276 0.121134 Ba\n0.058738 0.811827 0.117647 Ba\n0.557305 0.313609 0.121964 Ba\n0.553942 0.813055 0.119548 Ba\n0.437371 0.688376 0.380775 Ba\n0.434660 0.685277 0.874121 Ba\n0.939186 0.687303 0.383460 Ba\n0.928555 0.687562 0.871986 Ba\n0.306666 0.545098 0.609730 Sr\n0.805884 0.062317 0.611986 Sr\n0.802877 0.559098 0.611809 Sr\n0.192939 0.442381 0.390067 Sr\n0.186161 0.431556 0.883499 Sr\n0.694487 0.449966 0.391108 Sr\n0.694199 0.952596 0.390893 Sr\n0.689109 0.941606 0.882793 Sr\n0.053697 0.306957 0.610585 Sr\n0.051914 0.800001 0.610096 Sr\n0.554943 0.311902 0.613253 Sr\n0.551837 0.800025 0.609453 Sr\n0.439282 0.194137 0.390288 Sr\n0.430421 0.189593 0.885823 Sr\n0.945489 0.191477 0.392095 Sr\n0.946448 0.196189 0.887403 Sr\n0.989975 0.002044 0.993777 Co\n0.996700 0.491322 0.990546 Co\n0.486570 0.996314 0.985746 Co\n0.501470 0.006549 0.505257 Co\n0.488601 0.491321 0.987915 Co\n0.499083 0.497164 0.501018 Co\n0.235601 0.737822 0.981972 Co\n0.249356 0.754661 0.507783 Co\n0.737501 0.238557 0.983071 Co\n0.752276 0.252324 0.501264 Co\n0.744331 0.748954 0.996457 Co\n0.753012 0.753504 0.504859 Co\n0.997026 0.002596 0.504590 Cu\n0.002346 0.499112 0.502673 Cu\n0.244659 0.246239 0.995614 Cu\n0.249762 0.251164 0.503396 Cu\n0.118942 0.110792 0.250052 Cu\n0.105702 0.100055 0.744036 Cu\n0.123242 0.606192 0.253773 Cu\n0.117109 0.594059 0.743426 Cu\n0.625728 0.116546 0.260557 Cu\n0.619346 0.095789 0.747835 Cu\n0.624593 0.611744 0.256610 Cu\n0.615966 0.606497 0.743484 Cu\n0.374549 0.389047 0.256695 Cu\n0.364110 0.391835 0.748735 Cu\n0.376697 0.903420 0.260933 Cu\n0.369940 0.897818 0.746150 Cu\n0.874342 0.392355 0.261241 Cu\n0.868675 0.389721 0.743593 Cu\n0.867394 0.898475 0.253884 Cu\n0.858286 0.906154 0.747679 Cu\n0.120338 0.131751 0.498738 O\n0.108585 0.114729 0.994983 O\n0.137668 0.627152 0.498963 O\n0.104849 0.611598 0.989481 O\n0.626093 0.139685 0.496383 O\n0.609849 0.107720 0.988943 O\n0.630905 0.636523 0.498349 O\n0.606270 0.610622 0.993241 O\n0.123542 0.369533 0.997277 O\n0.126627 0.374358 0.504648 O\n0.132606 0.860374 0.997050 O\n0.119621 0.876099 0.510770 O\n0.628447 0.356444 0.995320 O\n0.620767 0.392210 0.507563 O\n0.633200 0.862149 0.998243 O\n0.619368 0.894453 0.511112 O\n0.381476 0.120457 0.500701 O\n0.367289 0.124424 0.993147 O\n0.382975 0.606611 0.495073 O\n0.351669 0.625108 0.989615 O\n0.868888 0.121236 0.494976 O\n0.858884 0.133188 0.994875 O\n0.873031 0.621773 0.499697 O\n0.853985 0.633734 0.992450 O\n0.379183 0.382045 0.999030 O\n0.377961 0.372387 0.506152 O\n0.383142 0.881335 0.996992 O\n0.369533 0.868325 0.509002 O\n0.878657 0.386373 0.996837 O\n0.868556 0.375591 0.509500 O\n0.877816 0.885717 0.998120 O\n0.863389 0.874687 0.507694 O\n0.064778 0.082501 0.136404 O\n0.053119 0.090902 0.633871 O\n0.071616 0.585549 0.141607 O\n0.082836 0.584069 0.633632 O\n0.574125 0.090078 0.148754 O\n0.578025 0.097780 0.639871 O\n0.575236 0.586337 0.144511 O\n0.572814 0.589274 0.633030 O\n0.445092 0.406279 0.367372 O\n0.428608 0.404033 0.860828 O\n0.441048 0.926400 0.372921 O\n0.432091 0.915658 0.859746 O\n0.943118 0.409799 0.372650 O\n0.936091 0.407864 0.855814 O\n0.925671 0.916201 0.365187 O\n0.925307 0.928482 0.862246 O\n0.316943 0.304345 0.144656 O\n0.315900 0.309943 0.636986 O\n0.328908 0.804289 0.152497 O\n0.333169 0.787896 0.637804 O\n0.819128 0.305054 0.150571 O\n0.818757 0.295286 0.633556 O\n0.820096 0.805618 0.140965 O\n0.831483 0.800927 0.639475 O\n0.188270 0.205304 0.359504 O\n0.181601 0.192345 0.856280 O\n0.180819 0.700886 0.363840 O\n0.176509 0.692660 0.855490 O\n0.694715 0.215249 0.370224 O\n0.699779 0.191219 0.859388 O\n0.679034 0.713384 0.365997 O\n0.674506 0.701090 0.855216 O\n0.483868 0.039206 0.265107 O\n0.470940 0.044537 0.759734 O\n0.490985 0.507179 0.252506 O\n0.472352 0.513934 0.739301 O\n0.983351 0.032130 0.262470 O\n0.948086 0.058029 0.749900 O\n0.989100 0.506945 0.252452 O\n0.963616 0.523191 0.734570 O\n0.241377 0.485127 0.263567 O\n0.212618 0.454025 0.750499 O\n0.234077 0.988191 0.251733 O\n0.212995 0.969295 0.733698 O\n0.742116 0.490237 0.266961 O\n0.725114 0.475771 0.739649 O\n0.727733 0.981796 0.260412 O\n0.696133 0.937904 0.743881 O\n",
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}
]
}