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"structure_string": "La20 Sm12 V8 Cr24 O80\n1.0\n0.003303 -0.103045 11.125574\n11.305432 0.002916 0.003042\n-5.651373 16.010299 -5.715066\nLa Sm V Cr O\n20 12 8 24 80\ndirect\n0.314133 0.056863 0.625190 La\n0.299684 0.560384 0.618821 La\n0.815703 0.060373 0.621107 La\n0.812358 0.561245 0.619188 La\n0.187576 0.436902 0.378885 La\n0.199355 0.437191 0.879159 La\n0.189708 0.940124 0.380703 La\n0.688303 0.434710 0.380786 La\n0.687129 0.941153 0.381165 La\n0.051412 0.311449 0.121429 La\n0.068821 0.305479 0.621461 La\n0.062178 0.818907 0.623470 La\n0.547017 0.311431 0.625045 La\n0.442885 0.188755 0.379284 La\n0.449267 0.182191 0.873770 La\n0.443035 0.692447 0.381126 La\n0.431738 0.674441 0.874795 La\n0.927301 0.192469 0.378410 La\n0.956397 0.186906 0.878085 La\n0.942997 0.689431 0.380197 La\n0.296031 0.060797 0.112061 Sm\n0.291675 0.562580 0.114988 Sm\n0.790778 0.058424 0.116803 Sm\n0.801054 0.563080 0.119427 Sm\n0.196647 0.943329 0.880974 Sm\n0.713173 0.436688 0.885647 Sm\n0.700940 0.940374 0.876855 Sm\n0.044816 0.807633 0.117840 Sm\n0.548358 0.305924 0.115430 Sm\n0.540043 0.811101 0.121519 Sm\n0.557866 0.819141 0.624789 Sm\n0.951840 0.698826 0.885555 Sm\n0.114338 0.635311 0.750854 V\n0.625518 0.126753 0.751694 V\n0.610262 0.622288 0.752130 V\n0.372026 0.390214 0.245639 V\n0.365409 0.363311 0.751668 V\n0.375546 0.856947 0.752440 V\n0.860843 0.380888 0.751649 V\n0.854212 0.884121 0.248071 V\n0.002473 0.000916 0.000751 Cr\n0.001370 0.997658 0.497788 Cr\n0.000508 0.503381 0.001129 Cr\n0.999450 0.501810 0.499230 Cr\n0.506256 0.990338 0.997197 Cr\n0.500937 -0.000400 0.501489 Cr\n0.504631 0.500709 0.001417 Cr\n0.502588 0.501277 0.504165 Cr\n0.258055 0.250665 0.000992 Cr\n0.248738 0.248023 0.498446 Cr\n0.250180 0.751595 0.000893 Cr\n0.253053 0.748096 0.499023 Cr\n0.752627 0.248289 0.000524 Cr\n0.752871 0.251068 0.506259 Cr\n0.747154 0.750037 0.998669 Cr\n0.750427 0.750035 0.500215 Cr\n0.120167 0.125943 0.247875 Cr\n0.135848 0.137032 0.750717 Cr\n0.119785 0.631247 0.249220 Cr\n0.609956 0.129067 0.242577 Cr\n0.621647 0.630374 0.247241 Cr\n0.362985 0.876421 0.248613 Cr\n0.860405 0.372332 0.246487 Cr\n0.880977 0.868848 0.750125 Cr\n0.108066 0.113132 0.471227 O\n0.132965 0.095336 0.978603 O\n0.116262 0.612286 0.477042 O\n0.123937 0.602306 0.972979 O\n0.614648 0.109871 0.478739 O\n0.636499 0.092815 0.976890 O\n0.618507 0.613793 0.478907 O\n0.618319 0.591213 0.960568 O\n0.123403 0.382681 0.027429 O\n0.133023 0.383625 0.521515 O\n0.121165 0.869534 0.024528 O\n0.137840 0.882326 0.523228 O\n0.628160 0.373442 0.027696 O\n0.640851 0.387460 0.540023 O\n0.630521 0.874324 0.039308 O\n0.635640 0.882522 0.528065 O\n0.363560 0.112796 0.477586 O\n0.375668 0.099768 0.960327 O\n0.360558 0.609364 0.470799 O\n0.378347 0.628114 0.981318 O\n0.864428 0.108692 0.476839 O\n0.876751 0.123160 0.970781 O\n0.864007 0.615098 0.473919 O\n0.876569 0.625911 0.973106 O\n0.384934 0.411396 0.034180 O\n0.382965 0.391972 0.528851 O\n0.374105 0.900994 0.024652 O\n0.390087 0.885384 0.525079 O\n0.870210 0.406950 0.024953 O\n0.884323 0.394312 0.522290 O\n0.874270 0.909204 0.027418 O\n0.885957 0.888344 0.522120 O\n0.089010 0.105604 0.124129 O\n0.076091 0.093529 0.623471 O\n0.084450 0.610358 0.124499 O\n0.068715 0.606949 0.622787 O\n0.575095 0.106539 0.118907 O\n0.566194 0.102118 0.624241 O\n0.595658 0.615281 0.123806 O\n0.595567 0.629246 0.643905 O\n0.452041 0.384101 0.363797 O\n0.417299 0.395315 0.880572 O\n0.437715 0.899103 0.375644 O\n0.473643 0.878106 0.878341 O\n0.940650 0.400067 0.373931 O\n0.925656 0.394675 0.878064 O\n0.937248 0.895650 0.373027 O\n0.948807 0.900313 0.875698 O\n0.341330 0.266758 0.125777 O\n0.314377 0.266697 0.621931 O\n0.330087 0.768980 0.124606 O\n0.329526 0.769363 0.622283 O\n0.832481 0.263141 0.123478 O\n0.870189 0.274600 0.643279 O\n0.856693 0.766265 0.138517 O\n0.828179 0.774731 0.624892 O\n0.198525 0.227537 0.374297 O\n0.173893 0.228921 0.874943 O\n0.183794 0.729240 0.375410 O\n0.189128 0.737499 0.878847 O\n0.689397 0.220805 0.367209 O\n0.676722 0.232129 0.878998 O\n0.679086 0.727957 0.374916 O\n0.726630 0.734587 0.856084 O\n0.414614 0.067449 0.242601 O\n0.461576 0.023904 0.748387 O\n0.425498 0.567432 0.242451 O\n0.451244 0.530622 0.743733 O\n0.921260 0.057129 0.246306 O\n0.958464 0.049370 0.746405 O\n0.924251 0.559694 0.245802 O\n0.942471 0.556688 0.756930 O\n0.192708 0.444431 0.250752 O\n0.203887 0.470839 0.752252 O\n0.167690 0.933816 0.246734 O\n0.209478 0.950589 0.755833 O\n0.660079 0.432814 0.245219 O\n0.694400 0.462014 0.758378 O\n0.676035 0.942912 0.248483 O\n0.706462 0.950663 0.749330 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-Sm-V",
"density": 6.219138166340873,
"density_atomic": 0.07173840035034036,
"volume": 2007.2931553639917,
"volume_molar": 8.39458467235174,
"formula_full": "La20 Sm12 V8 Cr24 O80",
"formula_reduced": "La5Sm3V2Cr6O20",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1266.68980321,
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"energy_uncorrected": -1150.15380321,
"band_gap": 0.0108000000000005,
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"is_magnetic": true,
"total_magnetization": 118.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:30.518000Z",
"spacegroup": 1
},
{
"id": "mp-1076159",
"created_at": "2022-09-04T14:43:12.148959Z",
"structure_string": "Sr28 Ca4 Fe16 Co16 O80\n1.0\n-0.029044 -0.007094 10.867659\n11.305967 0.005591 -0.030129\n-5.630787 16.034688 -5.428072\nSr Ca Fe Co O\n28 4 16 16 80\ndirect\n0.306165 0.063440 0.610381 Sr\n0.309261 0.565222 0.609826 Sr\n0.808664 0.064528 0.610134 Sr\n0.806294 0.563600 0.108433 Sr\n0.806863 0.563761 0.610552 Sr\n0.198107 0.434130 0.388499 Sr\n0.197474 0.437872 0.893351 Sr\n0.195380 0.935423 0.387444 Sr\n0.201084 0.936189 0.892946 Sr\n0.695973 0.434431 0.389410 Sr\n0.699574 0.438007 0.893813 Sr\n0.696800 0.935735 0.388479 Sr\n0.699822 0.938824 0.893130 Sr\n0.055647 0.295712 0.109845 Sr\n0.055415 0.294989 0.609996 Sr\n0.059514 0.797066 0.609732 Sr\n0.557067 0.295191 0.108836 Sr\n0.558932 0.298121 0.609632 Sr\n0.558449 0.796298 0.108896 Sr\n0.555776 0.795106 0.609736 Sr\n0.446937 0.202619 0.385894 Sr\n0.449418 0.206362 0.893659 Sr\n0.444129 0.701937 0.386881 Sr\n0.450240 0.707497 0.893035 Sr\n0.943379 0.199459 0.387028 Sr\n0.948461 0.205000 0.893500 Sr\n0.947747 0.704814 0.388080 Sr\n0.950311 0.703919 0.892802 Sr\n0.306759 0.066315 0.105123 Ca\n0.301721 0.565296 0.105752 Ca\n0.798865 0.069127 0.105468 Ca\n0.054984 0.784253 0.106272 Ca\n0.103671 0.085405 0.244519 Fe\n0.108531 0.091654 0.751525 Fe\n0.109737 0.592298 0.248659 Fe\n0.108618 0.591269 0.750131 Fe\n0.604029 0.088654 0.246073 Fe\n0.608382 0.090769 0.749693 Fe\n0.603892 0.590323 0.247613 Fe\n0.609458 0.592287 0.751670 Fe\n0.356574 0.407613 0.246907 Fe\n0.357689 0.409549 0.750579 Fe\n0.350644 0.906956 0.245290 Fe\n0.358904 0.909730 0.751244 Fe\n0.857979 0.406898 0.250378 Fe\n0.858620 0.409018 0.751411 Fe\n0.857618 0.911073 0.246366 Fe\n0.858671 0.908084 0.750696 Fe\n0.009279 0.005273 0.009918 Co\n0.004580 0.000020 0.499443 Co\n0.007279 0.501280 0.004025 Co\n0.004496 0.499178 0.498974 Co\n0.508739 0.003159 0.004384 Co\n0.504265 0.001214 0.500196 Co\n0.506107 0.502352 0.003253 Co\n0.504465 0.499870 0.498971 Co\n0.257681 0.252849 0.004324 Co\n0.254867 0.249335 0.500306 Co\n0.259071 0.752781 0.007658 Co\n0.254029 0.749439 0.498381 Co\n0.756044 0.251220 0.002613 Co\n0.753742 0.249427 0.499458 Co\n0.759068 0.753047 0.004583 Co\n0.754281 0.749541 0.499707 Co\n0.117703 0.114155 0.491950 O\n0.124177 0.113834 0.995974 O\n0.119009 0.614679 0.492642 O\n0.126043 0.622627 0.996076 O\n0.618305 0.115410 0.492546 O\n0.627680 0.123281 0.994222 O\n0.618049 0.614456 0.492227 O\n0.623739 0.623134 0.993034 O\n0.136914 0.380222 0.013275 O\n0.139185 0.367153 0.505612 O\n0.144310 0.871649 0.015321 O\n0.136057 0.873356 0.506533 O\n0.633665 0.377064 0.009269 O\n0.635912 0.373474 0.506905 O\n0.640956 0.883031 0.011900 O\n0.638729 0.868062 0.505682 O\n0.367648 0.129190 0.491804 O\n0.374777 0.121663 0.995429 O\n0.370599 0.623909 0.491122 O\n0.370361 0.629154 0.995798 O\n0.869856 0.123373 0.491310 O\n0.873840 0.120606 0.995189 O\n0.867813 0.629061 0.492043 O\n0.879304 0.624582 0.995837 O\n0.382625 0.389460 0.013312 O\n0.388500 0.386605 0.505210 O\n0.385947 0.886976 0.014275 O\n0.388203 0.886677 0.504912 O\n0.884127 0.380796 0.010339 O\n0.888060 0.385601 0.505453 O\n0.895446 0.887799 0.014124 O\n0.888916 0.886683 0.505662 O\n0.093053 0.094582 0.139117 O\n0.082723 0.094134 0.641817 O\n0.089409 0.602111 0.142556 O\n0.081781 0.592450 0.639820 O\n0.591997 0.094700 0.140619 O\n0.580579 0.092202 0.639037 O\n0.585146 0.596778 0.141219 O\n0.583179 0.594619 0.642072 O\n0.441218 0.406609 0.356405 O\n0.440048 0.405887 0.858576 O\n0.437003 0.908885 0.355818 O\n0.441729 0.905409 0.859145 O\n0.941831 0.405712 0.360369 O\n0.942759 0.405043 0.859121 O\n0.941182 0.906870 0.355312 O\n0.942981 0.902676 0.858157 O\n0.333889 0.285291 0.142735 O\n0.331740 0.297417 0.640310 O\n0.333746 0.784431 0.141609 O\n0.333671 0.797820 0.642522 O\n0.835672 0.288718 0.145259 O\n0.833075 0.296875 0.642525 O\n0.840154 0.794607 0.141284 O\n0.832432 0.797136 0.640375 O\n0.188942 0.196918 0.354207 O\n0.191356 0.203678 0.859799 O\n0.191141 0.704209 0.357460 O\n0.192052 0.703569 0.858207 O\n0.684960 0.201098 0.355078 O\n0.692632 0.203047 0.856813 O\n0.686889 0.702194 0.357317 O\n0.694056 0.704946 0.859545 O\n0.422053 0.060374 0.239749 O\n0.431573 0.065884 0.750942 O\n0.422667 0.562567 0.241187 O\n0.431621 0.565634 0.750853 O\n0.923173 0.066669 0.240898 O\n0.931280 0.064740 0.750955 O\n0.933379 0.560797 0.248620 O\n0.931572 0.564867 0.750538 O\n0.181547 0.436699 0.249174 O\n0.180543 0.435409 0.750245 O\n0.169915 0.925687 0.241276 O\n0.181548 0.935988 0.750853 O\n0.681398 0.437210 0.249854 O\n0.681481 0.436313 0.751057 O\n0.681368 0.935841 0.249149 O\n0.681180 0.935173 0.749936 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.82979721742758,
"density_atomic": 0.0730940416043717,
"volume": 1970.0648211438818,
"volume_molar": 8.238894207814361,
"formula_full": "Sr28 Ca4 Fe16 Co16 O80",
"formula_reduced": "Sr7CaFe4(CoO5)4",
"formula_anonymous": "AB4C4D7E20",
"energy": -1021.79198951,
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"updated_at": "2021-11-28T01:36:09.801000Z",
"spacegroup": 1
},
{
"id": "mp-1076172",
"created_at": "2022-09-04T14:39:09.316822Z",
"structure_string": "La28 Sm4 Mn16 Fe16 O80\n1.0\n-0.006804 0.001334 11.075855\n11.855805 0.002749 -0.006997\n-5.920659 15.898421 -5.532324\nLa Sm Mn Fe O\n28 4 16 16 80\ndirect\n0.300012 0.065028 0.110417 La\n0.302127 0.065130 0.609296 La\n0.302376 0.565599 0.609933 La\n0.802226 0.065790 0.609774 La\n0.801483 0.564858 0.108773 La\n0.802409 0.565488 0.609979 La\n0.193016 0.433494 0.389651 La\n0.191606 0.436120 0.892119 La\n0.191531 0.933923 0.388485 La\n0.192460 0.935249 0.890268 La\n0.693060 0.434375 0.389836 La\n0.692186 0.934171 0.389732 La\n0.691635 0.935075 0.890721 La\n0.051786 0.294249 0.110030 La\n0.052267 0.294764 0.609911 La\n0.052256 0.794273 0.609605 La\n0.554111 0.292939 0.109799 La\n0.553003 0.295316 0.611430 La\n0.548738 0.794276 0.110228 La\n0.552578 0.793662 0.609584 La\n0.442850 0.205722 0.389968 La\n0.445452 0.207066 0.890576 La\n0.440967 0.705038 0.388443 La\n0.441296 0.704660 0.890335 La\n0.941519 0.204365 0.388294 La\n0.940378 0.206766 0.890435 La\n0.942017 0.705324 0.388998 La\n0.941341 0.705028 0.890944 La\n0.297633 0.567889 0.108983 Sm\n0.799721 0.065543 0.108317 Sm\n0.691054 0.433440 0.891815 Sm\n0.050652 0.793234 0.109213 Sm\n0.105285 0.094991 0.247693 Mn\n0.110130 0.099177 0.751046 Mn\n0.110043 0.598010 0.248297 Mn\n0.108968 0.596969 0.750466 Mn\n0.610566 0.096252 0.249015 Mn\n0.609618 0.098580 0.750347 Mn\n0.605936 0.596881 0.248097 Mn\n0.610040 0.596936 0.751949 Mn\n0.358697 0.403613 0.248266 Mn\n0.360965 0.402526 0.750911 Mn\n0.355887 0.900769 0.248485 Mn\n0.359581 0.903005 0.750409 Mn\n0.859266 0.401262 0.248988 Mn\n0.857628 0.402890 0.751582 Mn\n0.859600 0.901917 0.247076 Mn\n0.859548 0.902924 0.750817 Mn\n0.005204 0.999280 0.001391 Fe\n0.004914 0.000004 0.499503 Fe\n0.005357 0.501641 0.001411 Fe\n0.005279 0.499731 0.499656 Fe\n0.505567 0.999796 0.000630 Fe\n0.504560 0.999933 0.499685 Fe\n0.505375 0.500621 0.000818 Fe\n0.505310 0.499981 0.499919 Fe\n0.256866 0.252096 0.001593 Fe\n0.254952 0.249462 0.499647 Fe\n0.254188 0.751158 0.000958 Fe\n0.255186 0.749951 0.499795 Fe\n0.756049 0.249200 0.000491 Fe\n0.754963 0.249872 0.499896 Fe\n0.755733 0.750074 0.001128 Fe\n0.754641 0.749873 0.499514 Fe\n0.114729 0.116720 0.477195 O\n0.114917 0.119105 0.978096 O\n0.114994 0.617130 0.477437 O\n0.114294 0.621647 0.981466 O\n0.614815 0.116756 0.477399 O\n0.616514 0.116886 0.978522 O\n0.615343 0.617380 0.478427 O\n0.614748 0.614317 0.975622 O\n0.141130 0.388067 0.025320 O\n0.137559 0.382299 0.521687 O\n0.135208 0.882213 0.026390 O\n0.136854 0.882200 0.520764 O\n0.636523 0.380424 0.019853 O\n0.637109 0.381871 0.521684 O\n0.639183 0.884786 0.024303 O\n0.637119 0.882574 0.521538 O\n0.364879 0.110606 0.477963 O\n0.366761 0.111498 0.978680 O\n0.365516 0.611032 0.478014 O\n0.363551 0.610748 0.979403 O\n0.865310 0.111278 0.478354 O\n0.864896 0.108695 0.979894 O\n0.865477 0.610953 0.477875 O\n0.860542 0.605781 0.974766 O\n0.387834 0.395211 0.026099 O\n0.387308 0.388696 0.520939 O\n0.385131 0.889644 0.021772 O\n0.387506 0.889124 0.521981 O\n0.886228 0.388109 0.020069 O\n0.887554 0.389362 0.521770 O\n0.889351 0.892132 0.028913 O\n0.886625 0.888806 0.520635 O\n0.098661 0.119186 0.139727 O\n0.095227 0.116481 0.639256 O\n0.103595 0.619889 0.139213 O\n0.095442 0.616369 0.639429 O\n0.605697 0.115698 0.139614 O\n0.595624 0.117028 0.639100 O\n0.601035 0.617926 0.139198 O\n0.596208 0.615228 0.640307 O\n0.455603 0.384337 0.359756 O\n0.465744 0.384286 0.860749 O\n0.453002 0.883378 0.360219 O\n0.455606 0.882793 0.861202 O\n0.955865 0.382941 0.360464 O\n0.959341 0.384018 0.861676 O\n0.956102 0.883793 0.359125 O\n0.957296 0.883741 0.861935 O\n0.349148 0.270592 0.139834 O\n0.346566 0.272989 0.639376 O\n0.348454 0.770119 0.139546 O\n0.345336 0.773083 0.639343 O\n0.845334 0.269707 0.138670 O\n0.843648 0.273806 0.639898 O\n0.857313 0.769687 0.139474 O\n0.845758 0.773303 0.639506 O\n0.203859 0.224567 0.359282 O\n0.210159 0.229323 0.861552 O\n0.206397 0.727501 0.360199 O\n0.205678 0.727481 0.861232 O\n0.706472 0.226781 0.360277 O\n0.706868 0.229463 0.861080 O\n0.703533 0.726120 0.359721 O\n0.707046 0.729434 0.861723 O\n0.419177 0.070581 0.249893 O\n0.418438 0.072786 0.750295 O\n0.411779 0.573016 0.244371 O\n0.417505 0.572764 0.750099 O\n0.911566 0.072499 0.244495 O\n0.918296 0.073047 0.750550 O\n0.919369 0.571030 0.249167 O\n0.917272 0.571870 0.750459 O\n0.168068 0.428222 0.249972 O\n0.169499 0.427768 0.750828 O\n0.161690 0.922854 0.244349 O\n0.168014 0.928407 0.750288 O\n0.667850 0.428280 0.249731 O\n0.667650 0.427669 0.755877 O\n0.669032 0.926444 0.249727 O\n0.668025 0.928438 0.750020 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sm",
"density": 5.99916900047493,
"density_atomic": 0.06896752084252561,
"volume": 2087.9393407339808,
"volume_molar": 8.731850422390023,
"formula_full": "La28 Sm4 Mn16 Fe16 O80",
"formula_reduced": "La7SmMn4(FeO5)4",
"formula_anonymous": "AB4C4D7E20",
"energy": -1242.52180371,
"energy_per_atom": -8.628623636875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -1124.77780371,
"band_gap": 0.9926000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 143.7929839,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.686000Z",
"spacegroup": 1
},
{
"id": "mp-1076479",
"created_at": "2022-09-04T14:47:57.311279Z",
"structure_string": "Sr12 Ca20 Fe4 Co28 O80\n1.0\n0.036028 -0.003383 10.736811\n11.193140 0.005386 0.036692\n-5.607041 15.483874 -5.392183\nSr Ca Fe Co O\n12 20 4 28 80\ndirect\n0.308491 0.567242 0.608359 Sr\n0.805716 0.058547 0.608642 Sr\n0.803404 0.559181 0.609634 Sr\n0.194503 0.439595 0.383963 Sr\n0.197770 0.437165 0.893672 Sr\n0.692626 0.931309 0.383649 Sr\n0.057133 0.295583 0.608812 Sr\n0.056985 0.799897 0.610728 Sr\n0.560784 0.296537 0.609858 Sr\n0.447523 0.203648 0.890089 Sr\n0.944040 0.199838 0.384139 Sr\n0.946782 0.198368 0.889627 Sr\n0.306662 0.068482 0.112011 Ca\n0.309315 0.065841 0.605823 Ca\n0.308157 0.570545 0.113705 Ca\n0.802969 0.066511 0.109795 Ca\n0.804056 0.568236 0.112091 Ca\n0.200271 0.931133 0.388415 Ca\n0.192348 0.936143 0.894095 Ca\n0.693728 0.430071 0.389396 Ca\n0.696711 0.431676 0.893763 Ca\n0.697513 0.935294 0.890906 Ca\n0.056735 0.291344 0.110920 Ca\n0.054357 0.794782 0.111454 Ca\n0.551030 0.294607 0.111999 Ca\n0.555675 0.792468 0.110529 Ca\n0.552123 0.792892 0.607602 Ca\n0.450867 0.207736 0.389645 Ca\n0.443405 0.703054 0.389599 Ca\n0.447009 0.714434 0.894795 Ca\n0.946659 0.704447 0.388164 Ca\n0.943434 0.712242 0.894322 Ca\n0.108277 0.597311 0.753737 Fe\n0.610849 0.598772 0.754780 Fe\n0.363558 0.412849 0.753022 Fe\n0.362792 0.910544 0.752532 Fe\n0.009665 0.003588 0.006204 Co\n0.002919 0.995943 0.495913 Co\n0.007193 0.502748 0.006294 Co\n0.000344 0.500773 0.496758 Co\n0.506236 0.000941 0.002136 Co\n0.502542 0.995228 0.496000 Co\n0.506402 0.501167 0.004261 Co\n0.502974 0.499875 0.494959 Co\n0.258200 0.253306 0.007346 Co\n0.255029 0.248371 0.495775 Co\n0.256945 0.753758 0.003181 Co\n0.254481 0.753093 0.499370 Co\n0.759002 0.254581 0.009726 Co\n0.751029 0.245655 0.494085 Co\n0.756292 0.751241 0.001112 Co\n0.749929 0.743683 0.493729 Co\n0.110749 0.089326 0.247256 Co\n0.112319 0.090006 0.751149 Co\n0.106362 0.596276 0.245905 Co\n0.603832 0.092680 0.246813 Co\n0.606680 0.091872 0.748527 Co\n0.607231 0.590171 0.248405 Co\n0.360538 0.406011 0.247555 Co\n0.355815 0.904419 0.249515 Co\n0.853566 0.408604 0.248223 Co\n0.858669 0.410118 0.755353 Co\n0.860617 0.901692 0.245678 Co\n0.855966 0.900235 0.750526 Co\n0.132534 0.125246 0.489326 O\n0.130420 0.124469 0.994486 O\n0.120146 0.629523 0.484555 O\n0.129683 0.634802 0.993460 O\n0.625014 0.122348 0.485735 O\n0.633476 0.130714 0.995102 O\n0.623348 0.620236 0.482889 O\n0.631191 0.630099 0.989841 O\n0.131731 0.388965 0.016919 O\n0.125689 0.385155 0.504687 O\n0.130877 0.887783 0.014459 O\n0.132272 0.884711 0.503137 O\n0.634540 0.391504 0.017519 O\n0.630181 0.370855 0.501858 O\n0.632577 0.888661 0.016155 O\n0.623392 0.873627 0.504514 O\n0.377678 0.109440 0.485217 O\n0.379440 0.110752 0.993435 O\n0.373680 0.624744 0.486560 O\n0.385463 0.617615 0.994128 O\n0.878353 0.114500 0.491301 O\n0.878211 0.108895 0.993691 O\n0.872498 0.611072 0.485842 O\n0.878327 0.609722 0.989405 O\n0.384499 0.383238 0.018122 O\n0.376461 0.371991 0.502794 O\n0.383032 0.877676 0.016148 O\n0.378661 0.881088 0.510156 O\n0.879793 0.375666 0.014836 O\n0.874277 0.371114 0.503678 O\n0.883095 0.875770 0.016329 O\n0.878159 0.868522 0.502293 O\n0.093775 0.104198 0.142622 O\n0.087679 0.086078 0.640857 O\n0.085531 0.606403 0.139269 O\n0.076731 0.594764 0.639887 O\n0.587579 0.106896 0.142688 O\n0.582190 0.090878 0.639348 O\n0.590327 0.605452 0.143516 O\n0.581160 0.601186 0.642502 O\n0.439908 0.398427 0.353957 O\n0.452069 0.404405 0.863036 O\n0.435296 0.894381 0.356546 O\n0.459073 0.903017 0.863570 O\n0.935610 0.404921 0.355581 O\n0.942957 0.401131 0.861232 O\n0.942315 0.901545 0.355359 O\n0.945205 0.899301 0.859902 O\n0.344033 0.286572 0.143663 O\n0.336346 0.292049 0.642039 O\n0.341180 0.789404 0.143918 O\n0.337350 0.795718 0.642059 O\n0.841479 0.288242 0.143393 O\n0.830191 0.303760 0.645528 O\n0.840273 0.783087 0.140816 O\n0.826322 0.795551 0.640987 O\n0.191317 0.201313 0.354497 O\n0.189820 0.205019 0.857724 O\n0.191220 0.708044 0.351309 O\n0.204824 0.717234 0.862571 O\n0.685121 0.201926 0.355971 O\n0.686787 0.208407 0.855517 O\n0.695360 0.699209 0.354224 O\n0.705008 0.720178 0.862986 O\n0.424789 0.064637 0.249424 O\n0.422943 0.066464 0.744067 O\n0.426400 0.568244 0.248828 O\n0.432589 0.575710 0.758728 O\n0.927823 0.056711 0.239658 O\n0.933396 0.056063 0.749471 O\n0.925388 0.567027 0.247742 O\n0.933425 0.573118 0.760878 O\n0.176454 0.434777 0.239381 O\n0.184199 0.439939 0.752401 O\n0.174548 0.927758 0.247746 O\n0.186867 0.933738 0.760257 O\n0.672100 0.427670 0.247672 O\n0.679270 0.440560 0.759418 O\n0.678615 0.933306 0.240906 O\n0.674678 0.931396 0.751751 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.467349599069142,
"density_atomic": 0.07738066496848715,
"volume": 1860.9299888886094,
"volume_molar": 7.782487734439195,
"formula_full": "Sr12 Ca20 Fe4 Co28 O80",
"formula_reduced": "Sr3Ca5FeCo7O20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1002.15786046,
"energy_per_atom": -6.959429586527778,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -892.30986046,
"band_gap": 0.0,
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"total_magnetization": 119.9822813,
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"updated_at": "2021-11-28T01:38:23.386000Z",
"spacegroup": 1
},
{
"id": "mp-1076147",
"created_at": "2022-09-04T14:41:24.515910Z",
"structure_string": "Sr16 Ca16 Fe24 Co8 O80\n1.0\n0.028584 -0.006175 10.903863\n11.338848 -0.011708 0.029691\n-5.699855 15.519724 -5.475341\nSr Ca Fe Co O\n16 16 24 8 80\ndirect\n0.307238 0.565244 0.611500 Sr\n0.802167 0.062460 0.609397 Sr\n0.807942 0.564703 0.611523 Sr\n0.194497 0.433201 0.385701 Sr\n0.196239 0.439682 0.893991 Sr\n0.693746 0.433269 0.385589 Sr\n0.690360 0.933437 0.385656 Sr\n0.700810 0.936420 0.894204 Sr\n0.058253 0.294280 0.610805 Sr\n0.057969 0.799159 0.610392 Sr\n0.557385 0.295237 0.611420 Sr\n0.556471 0.798565 0.610153 Sr\n0.444171 0.199513 0.386128 Sr\n0.452450 0.206274 0.893056 Sr\n0.944904 0.200373 0.386272 Sr\n0.945105 0.206671 0.893715 Sr\n0.303479 0.067392 0.105624 Ca\n0.308506 0.063897 0.604938 Ca\n0.299410 0.568820 0.107659 Ca\n0.803426 0.069321 0.105251 Ca\n0.799858 0.566917 0.106893 Ca\n0.203020 0.931450 0.390911 Ca\n0.199688 0.933828 0.897169 Ca\n0.695214 0.435139 0.898132 Ca\n0.048851 0.287010 0.106523 Ca\n0.051726 0.787719 0.106459 Ca\n0.555832 0.287030 0.104932 Ca\n0.552741 0.787189 0.104540 Ca\n0.444022 0.712196 0.390349 Ca\n0.447490 0.713334 0.896218 Ca\n0.945310 0.710149 0.390231 Ca\n0.949198 0.713554 0.897593 Ca\n0.005088 0.997763 0.497108 Fe\n0.002256 0.499204 0.496664 Fe\n0.502583 0.499154 0.497220 Fe\n0.257922 0.252691 0.004790 Fe\n0.254692 0.246848 0.498160 Fe\n0.253712 0.749637 0.496443 Fe\n0.752485 0.248489 0.499111 Fe\n0.751243 0.748254 0.495686 Fe\n0.104742 0.085014 0.247119 Fe\n0.113061 0.090469 0.754064 Fe\n0.104086 0.594019 0.248019 Fe\n0.108944 0.597264 0.754298 Fe\n0.603413 0.085474 0.245023 Fe\n0.604932 0.093738 0.751616 Fe\n0.603035 0.590401 0.246956 Fe\n0.609305 0.592471 0.755765 Fe\n0.352377 0.411233 0.245342 Fe\n0.360760 0.410761 0.751631 Fe\n0.349627 0.903273 0.243849 Fe\n0.356331 0.908233 0.750639 Fe\n0.853960 0.412436 0.246454 Fe\n0.856130 0.414304 0.754164 Fe\n0.855865 0.903451 0.244141 Fe\n0.861631 0.907339 0.750795 Fe\n0.010450 0.001237 0.005061 Co\n0.005431 0.503328 0.004356 Co\n0.509014 0.001163 0.004171 Co\n0.502943 0.998942 0.498476 Co\n0.507385 0.503089 0.004420 Co\n0.257845 0.752435 0.003670 Co\n0.758317 0.254461 0.005456 Co\n0.757235 0.749191 0.002119 Co\n0.126854 0.116815 0.489157 O\n0.126946 0.117190 0.992157 O\n0.119383 0.622244 0.486361 O\n0.118159 0.622821 0.991795 O\n0.619348 0.118032 0.490055 O\n0.624632 0.118880 0.995204 O\n0.620523 0.621719 0.487433 O\n0.619373 0.617036 0.987579 O\n0.136629 0.382521 0.018199 O\n0.131899 0.377858 0.507751 O\n0.142031 0.877462 0.013175 O\n0.134931 0.878978 0.505590 O\n0.636353 0.387506 0.017798 O\n0.631713 0.378012 0.506670 O\n0.640452 0.873415 0.014228 O\n0.625655 0.877123 0.503910 O\n0.372930 0.110571 0.488099 O\n0.374686 0.115595 0.991563 O\n0.373885 0.620360 0.487818 O\n0.374231 0.626041 0.991858 O\n0.874917 0.118508 0.491435 O\n0.880849 0.117236 0.995350 O\n0.874282 0.619329 0.488075 O\n0.871173 0.621859 0.989667 O\n0.388972 0.388547 0.016981 O\n0.381637 0.379259 0.507310 O\n0.392901 0.887682 0.014755 O\n0.383841 0.885513 0.507436 O\n0.887756 0.392651 0.016155 O\n0.881746 0.380075 0.506494 O\n0.895763 0.885899 0.017350 O\n0.882999 0.877631 0.504878 O\n0.101825 0.110666 0.147075 O\n0.090712 0.090116 0.641220 O\n0.093051 0.613953 0.145380 O\n0.078343 0.596460 0.640473 O\n0.596254 0.111994 0.145160 O\n0.582989 0.096896 0.642115 O\n0.592770 0.614400 0.145371 O\n0.580608 0.593496 0.641858 O\n0.436052 0.403013 0.356564 O\n0.448417 0.397002 0.857118 O\n0.436193 0.893383 0.352380 O\n0.448860 0.890492 0.855227 O\n0.937456 0.403636 0.357547 O\n0.946501 0.396405 0.857712 O\n0.943392 0.899841 0.357015 O\n0.950432 0.889040 0.855705 O\n0.341149 0.287575 0.139317 O\n0.330960 0.289970 0.638534 O\n0.335883 0.783134 0.137301 O\n0.326228 0.794103 0.636828 O\n0.844945 0.288682 0.142715 O\n0.828270 0.299805 0.639676 O\n0.840163 0.781129 0.138200 O\n0.826981 0.795944 0.635771 O\n0.188823 0.201211 0.360475 O\n0.195564 0.209356 0.864895 O\n0.197491 0.709590 0.360087 O\n0.203332 0.714675 0.862788 O\n0.687276 0.198043 0.359838 O\n0.688150 0.213576 0.861282 O\n0.696968 0.701372 0.359698 O\n0.704892 0.709436 0.863208 O\n0.423803 0.056097 0.240162 O\n0.424372 0.060877 0.744153 O\n0.424917 0.569066 0.248617 O\n0.433374 0.571071 0.758101 O\n0.923757 0.057808 0.239824 O\n0.936210 0.061627 0.751042 O\n0.926158 0.570787 0.249637 O\n0.934676 0.571996 0.759746 O\n0.172913 0.433530 0.240561 O\n0.184364 0.441994 0.751699 O\n0.173248 0.927581 0.247798 O\n0.183794 0.936058 0.759946 O\n0.673004 0.431073 0.239788 O\n0.680589 0.437469 0.759242 O\n0.676773 0.928451 0.240123 O\n0.687386 0.942549 0.753032 O\n",
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"elements": [
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"O"
],
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"density": 4.446299666632919,
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"formula_full": "Sr16 Ca16 Fe24 Co8 O80",
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"updated_at": "2021-11-28T01:35:19.050000Z",
"spacegroup": 1
},
{
"id": "mp-1076204",
"created_at": "2022-09-04T14:46:28.240641Z",
"structure_string": "La28 Sm4 Cr8 Fe24 O80\n1.0\n0.000156 -0.006159 11.131412\n11.681328 -0.005742 -0.000222\n-5.848811 15.983964 -5.574030\nLa Sm Cr Fe O\n28 4 8 24 80\ndirect\n0.298703 0.064127 0.114289 La\n0.300762 0.062642 0.612481 La\n0.305281 0.563055 0.610796 La\n0.804330 0.064052 0.612543 La\n0.803578 0.564673 0.114735 La\n0.804193 0.561314 0.610607 La\n0.192740 0.436724 0.388674 La\n0.186793 0.437342 0.887644 La\n0.186052 0.937684 0.386052 La\n0.187783 0.935809 0.885658 La\n0.691883 0.437235 0.387877 La\n0.691425 0.934944 0.387680 La\n0.687155 0.935879 0.885305 La\n0.054265 0.299307 0.114160 La\n0.053207 0.300192 0.610711 La\n0.053468 0.799514 0.610957 La\n0.550185 0.298305 0.112974 La\n0.556692 0.299198 0.614259 La\n0.549935 0.800914 0.115167 La\n0.554786 0.797721 0.610358 La\n0.443270 0.200847 0.389375 La\n0.439714 0.203108 0.887859 La\n0.441221 0.699765 0.385408 La\n0.436785 0.699142 0.885367 La\n0.939943 0.200506 0.386733 La\n0.940448 0.202262 0.887739 La\n0.941188 0.700137 0.387879 La\n0.936936 0.698483 0.885328 La\n0.297052 0.566036 0.112241 Sm\n0.800176 0.066055 0.112852 Sm\n0.686808 0.434349 0.887910 Sm\n0.051882 0.797473 0.114046 Sm\n0.998550 0.998293 0.002028 Cr\n0.997711 0.501140 0.000815 Cr\n0.499945 0.999677 0.000804 Cr\n0.500491 0.998924 0.499653 Cr\n0.499492 0.502661 0.001027 Cr\n0.248136 0.751092 0.001097 Cr\n0.749469 0.249461 0.000578 Cr\n0.749928 0.750610 0.001463 Cr\n0.002958 0.000517 0.499548 Fe\n0.004747 0.500383 0.499555 Fe\n0.504261 0.499026 0.499460 Fe\n0.252961 0.251924 0.001627 Fe\n0.254196 0.249459 0.499682 Fe\n0.254536 0.751018 0.499177 Fe\n0.753464 0.248642 0.499668 Fe\n0.753523 0.749830 0.499624 Fe\n0.109458 0.104539 0.250482 Fe\n0.112306 0.106443 0.750613 Fe\n0.114754 0.606652 0.251299 Fe\n0.111525 0.602865 0.747415 Fe\n0.614533 0.104968 0.251351 Fe\n0.612998 0.106576 0.751001 Fe\n0.610144 0.604632 0.249753 Fe\n0.612284 0.603357 0.749351 Fe\n0.361245 0.396798 0.249327 Fe\n0.362994 0.394448 0.748169 Fe\n0.359509 0.893562 0.248739 Fe\n0.362082 0.894427 0.748065 Fe\n0.862901 0.393794 0.250862 Fe\n0.859568 0.394005 0.749044 Fe\n0.863381 0.896698 0.249232 Fe\n0.861493 0.894485 0.748285 Fe\n0.112394 0.118487 0.476089 O\n0.112622 0.114987 0.979705 O\n0.114197 0.618613 0.475796 O\n0.111319 0.618950 0.980402 O\n0.613285 0.112843 0.476987 O\n0.611559 0.117183 0.978444 O\n0.614200 0.615981 0.476581 O\n0.611200 0.614695 0.974230 O\n0.135460 0.387982 0.023437 O\n0.138629 0.386271 0.523846 O\n0.132434 0.881478 0.027762 O\n0.137031 0.886016 0.523207 O\n0.630815 0.380761 0.020093 O\n0.636223 0.381113 0.522397 O\n0.637443 0.886085 0.026426 O\n0.635855 0.884967 0.522107 O\n0.361949 0.105706 0.475707 O\n0.363970 0.110889 0.979074 O\n0.364507 0.609857 0.476049 O\n0.360890 0.611814 0.977927 O\n0.864094 0.110664 0.476746 O\n0.860669 0.108336 0.979093 O\n0.864580 0.609570 0.476514 O\n0.856614 0.606379 0.973884 O\n0.382981 0.397895 0.025351 O\n0.387270 0.387104 0.521548 O\n0.381795 0.890313 0.021873 O\n0.387615 0.891319 0.524204 O\n0.882679 0.389251 0.021683 O\n0.887381 0.389310 0.523212 O\n0.887013 0.892845 0.030912 O\n0.886552 0.888526 0.522492 O\n0.108386 0.124237 0.146589 O\n0.090601 0.115914 0.639835 O\n0.113546 0.624384 0.146377 O\n0.090093 0.615177 0.637795 O\n0.614112 0.122657 0.146597 O\n0.604108 0.122588 0.644905 O\n0.612347 0.624127 0.145993 O\n0.590041 0.612357 0.638439 O\n0.450323 0.383498 0.359124 O\n0.467325 0.378573 0.853666 O\n0.456658 0.876416 0.354385 O\n0.460855 0.877946 0.854511 O\n0.952071 0.385229 0.361843 O\n0.963058 0.379418 0.854816 O\n0.950714 0.885439 0.360434 O\n0.961881 0.877910 0.854634 O\n0.347002 0.274577 0.139298 O\n0.339947 0.272463 0.637571 O\n0.356031 0.769854 0.143623 O\n0.340878 0.774818 0.637507 O\n0.856356 0.271404 0.144779 O\n0.838211 0.275588 0.637954 O\n0.869344 0.770796 0.147053 O\n0.838234 0.773493 0.637619 O\n0.200073 0.223437 0.361338 O\n0.206721 0.225223 0.862101 O\n0.202592 0.729064 0.361716 O\n0.209165 0.724820 0.854586 O\n0.701049 0.226443 0.362196 O\n0.711795 0.229646 0.857311 O\n0.700473 0.722635 0.361178 O\n0.712504 0.728316 0.855045 O\n0.423831 0.067916 0.251007 O\n0.421958 0.069643 0.751326 O\n0.416653 0.565713 0.243432 O\n0.421335 0.567792 0.748550 O\n0.915760 0.068874 0.245370 O\n0.923775 0.068606 0.751212 O\n0.925157 0.566613 0.251184 O\n0.921658 0.566131 0.748544 O\n0.173075 0.433134 0.251638 O\n0.173567 0.430679 0.749501 O\n0.167063 0.928815 0.245421 O\n0.172810 0.933170 0.749135 O\n0.670950 0.431560 0.249820 O\n0.672221 0.432904 0.755820 O\n0.675186 0.932549 0.250739 O\n0.671101 0.931563 0.748254 O\n",
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Cr-Fe-La-O-Sm",
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"formula_full": "La28 Sm4 Cr8 Fe24 O80",
"formula_reduced": "La7SmCr2(Fe3O10)2",
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"energy": -1229.68977885,
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},
{
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"created_at": "2022-09-04T14:39:49.079813Z",
"structure_string": "C64 Cl80\n1.0\n10.065057 0.000000 0.000000\n-0.000000 16.686246 0.000000\n0.000000 0.000000 18.809136\nC Cl\n64 80\ndirect\n0.164235 0.034875 0.336269 C\n0.835765 0.965125 0.663731 C\n0.335765 0.965125 0.836269 C\n0.835765 0.534875 0.163731 C\n0.664235 0.034875 0.163731 C\n0.164235 0.465125 0.836269 C\n0.664235 0.465125 0.663731 C\n0.335765 0.534875 0.336269 C\n0.071420 0.141694 0.248669 C\n0.928580 0.858306 0.751331 C\n0.428580 0.858306 0.748669 C\n0.928580 0.641694 0.251331 C\n0.571420 0.141694 0.251331 C\n0.071420 0.358306 0.748669 C\n0.571420 0.358306 0.751331 C\n0.428580 0.641694 0.248669 C\n0.156661 0.054824 0.131411 C\n0.843339 0.945176 0.868589 C\n0.343339 0.945176 0.631411 C\n0.843339 0.554824 0.368589 C\n0.656661 0.054824 0.368589 C\n0.156661 0.445176 0.631411 C\n0.656661 0.445176 0.868589 C\n0.343339 0.554824 0.131411 C\n0.135808 0.138352 0.122610 C\n0.864192 0.861648 0.877390 C\n0.364192 0.861648 0.622610 C\n0.864192 0.638352 0.377390 C\n0.635808 0.138352 0.377390 C\n0.135808 0.361648 0.622610 C\n0.635808 0.361648 0.877390 C\n0.364192 0.638352 0.122610 C\n0.132628 0.066206 0.261120 C\n0.867372 0.933794 0.738880 C\n0.367372 0.933794 0.761120 C\n0.867372 0.566206 0.238880 C\n0.632628 0.066206 0.238880 C\n0.132628 0.433794 0.761120 C\n0.632628 0.433794 0.738880 C\n0.367372 0.566206 0.261120 C\n0.154286 0.019381 0.199407 C\n0.845714 0.980619 0.800593 C\n0.345714 0.980619 0.699407 C\n0.845714 0.519381 0.300593 C\n0.654286 0.019381 0.300593 C\n0.154286 0.480619 0.699407 C\n0.654286 0.480619 0.800593 C\n0.345714 0.519381 0.199407 C\n0.072243 0.176947 0.180464 C\n0.927757 0.823053 0.819536 C\n0.427757 0.823053 0.680464 C\n0.927757 0.676947 0.319536 C\n0.572243 0.176947 0.319536 C\n0.072243 0.323053 0.680464 C\n0.572243 0.323053 0.819536 C\n0.427757 0.676947 0.180464 C\n0.172219 0.181859 0.053144 C\n0.827781 0.818141 0.946856 C\n0.327781 0.818141 0.553144 C\n0.827781 0.681859 0.446856 C\n0.672219 0.181859 0.446856 C\n0.172219 0.318141 0.553144 C\n0.672219 0.318141 0.946856 C\n0.327781 0.681859 0.053144 C\n0.477394 0.482389 0.371076 Cl\n0.522606 0.517611 0.628924 Cl\n0.022606 0.517611 0.871076 Cl\n0.522606 0.982389 0.128924 Cl\n0.977394 0.482389 0.128924 Cl\n0.477394 0.017611 0.871076 Cl\n0.977394 0.017611 0.628924 Cl\n0.022606 0.982389 0.371076 Cl\n0.036573 0.323762 0.492106 Cl\n0.963427 0.676238 0.507894 Cl\n0.463427 0.676238 0.992106 Cl\n0.963427 0.823762 0.007894 Cl\n0.536573 0.323762 0.007894 Cl\n0.036573 0.176238 0.992106 Cl\n0.536573 0.176238 0.507894 Cl\n0.463427 0.823762 0.492106 Cl\n0.193421 0.469790 0.338289 Cl\n0.806579 0.530210 0.661711 Cl\n0.306579 0.530210 0.838289 Cl\n0.806579 0.969790 0.161711 Cl\n0.693421 0.469790 0.161711 Cl\n0.193421 0.030210 0.838289 Cl\n0.693421 0.030210 0.661711 Cl\n0.306579 0.969790 0.338289 Cl\n0.482225 0.263423 0.331209 Cl\n0.517775 0.736577 0.668791 Cl\n0.017775 0.736577 0.831209 Cl\n0.517775 0.763423 0.168791 Cl\n0.982225 0.263423 0.168791 Cl\n0.482225 0.236577 0.831209 Cl\n0.982225 0.236577 0.668791 Cl\n0.017775 0.763423 0.331209 Cl\n0.319421 0.142744 0.012578 Cl\n0.680579 0.857256 0.987422 Cl\n0.180579 0.857256 0.512578 Cl\n0.680579 0.642744 0.487422 Cl\n0.819421 0.142744 0.487422 Cl\n0.319421 0.357256 0.512578 Cl\n0.819421 0.357256 0.987422 Cl\n0.180579 0.642744 0.012578 Cl\n0.327555 0.492846 0.059125 Cl\n0.672445 0.507154 0.940875 Cl\n0.172445 0.507154 0.559125 Cl\n0.672445 0.992846 0.440875 Cl\n0.827555 0.492846 0.440875 Cl\n0.327555 0.007154 0.559125 Cl\n0.827555 0.007154 0.940875 Cl\n0.172445 0.992846 0.059125 Cl\n0.213461 0.285599 0.067727 Cl\n0.786539 0.714401 0.932273 Cl\n0.286539 0.714401 0.567727 Cl\n0.786539 0.785599 0.432273 Cl\n0.713461 0.285599 0.432273 Cl\n0.213461 0.214401 0.567727 Cl\n0.713461 0.214401 0.932273 Cl\n0.286539 0.785599 0.067727 Cl\n0.209287 0.113312 0.396583 Cl\n0.790713 0.886688 0.603417 Cl\n0.290713 0.886688 0.896583 Cl\n0.790713 0.613312 0.103417 Cl\n0.709287 0.113312 0.103417 Cl\n0.209287 0.386688 0.896583 Cl\n0.709287 0.386688 0.603417 Cl\n0.290713 0.613312 0.396583 Cl\n0.481238 0.188946 0.186140 Cl\n0.518762 0.811054 0.813860 Cl\n0.018762 0.811054 0.686140 Cl\n0.518762 0.688946 0.313860 Cl\n0.981238 0.188946 0.313860 Cl\n0.481238 0.311054 0.686140 Cl\n0.981238 0.311054 0.813860 Cl\n0.018762 0.688946 0.186140 Cl\n0.336381 0.416668 0.204151 Cl\n0.663619 0.583332 0.795849 Cl\n0.163619 0.583332 0.704151 Cl\n0.663619 0.916668 0.295849 Cl\n0.836381 0.416668 0.295849 Cl\n0.336381 0.083332 0.704151 Cl\n0.836381 0.083332 0.795849 Cl\n0.163619 0.916668 0.204151 Cl\n",
"nsites": 144,
"nelements": 2,
"elements": [
"C",
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],
"chemical_system": "C-Cl",
"density": 1.8949666877847637,
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"formula_full": "C64 Cl80",
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"updated_at": "2021-11-28T01:34:45.326000Z",
"spacegroup": 61
},
{
"id": "mp-1076898",
"created_at": "2022-09-04T14:40:19.492909Z",
"structure_string": "Ba8 Sr24 Co16 Cu16 O80\n1.0\n0.027211 0.001083 11.145170\n11.098791 0.002830 0.028866\n-5.557212 16.085139 -5.586587\nBa Sr Co Cu O\n8 24 16 16 80\ndirect\n0.308342 0.056186 0.118959 Ba\n0.309576 0.557076 0.118815 Ba\n0.808365 0.059374 0.120171 Ba\n0.807037 0.556819 0.120020 Ba\n0.183246 0.939704 0.874084 Ba\n0.057744 0.811255 0.118640 Ba\n0.556425 0.313153 0.118842 Ba\n0.932989 0.685028 0.874449 Ba\n0.302704 0.058658 0.614582 Sr\n0.306557 0.559653 0.612435 Sr\n0.806168 0.055831 0.613643 Sr\n0.804701 0.557427 0.611175 Sr\n0.191980 0.445251 0.387964 Sr\n0.191255 0.439388 0.884122 Sr\n0.190163 0.946231 0.387199 Sr\n0.691391 0.443715 0.387174 Sr\n0.688739 0.442349 0.884548 Sr\n0.690940 0.944573 0.387749 Sr\n0.690432 0.942095 0.884140 Sr\n0.056745 0.308150 0.112336 Sr\n0.050357 0.306634 0.614338 Sr\n0.054477 0.804435 0.611760 Sr\n0.558418 0.306504 0.614775 Sr\n0.558533 0.805930 0.111775 Sr\n0.557130 0.803196 0.612811 Sr\n0.437667 0.196431 0.390031 Sr\n0.437283 0.197178 0.883837 Sr\n0.444720 0.694695 0.389580 Sr\n0.444486 0.691083 0.883762 Sr\n0.945570 0.194007 0.390310 Sr\n0.939810 0.193094 0.883446 Sr\n0.941162 0.695976 0.389844 Sr\n0.990171 0.998893 0.990297 Co\n0.998550 0.000728 0.501041 Co\n0.993850 0.493494 0.990666 Co\n0.000013 0.498821 0.499366 Co\n0.492871 0.993603 0.987874 Co\n0.498096 -0.000025 0.500000 Co\n0.491672 0.495938 0.988397 Co\n0.499032 0.499130 0.499582 Co\n0.243350 0.246151 0.989422 Co\n0.249603 0.252093 0.502599 Co\n0.246315 0.743331 0.988221 Co\n0.251138 0.751996 0.499996 Co\n0.739898 0.245119 0.986887 Co\n0.747279 0.248696 0.498326 Co\n0.740699 0.744443 0.990312 Co\n0.749490 0.749912 0.499541 Co\n0.120502 0.112636 0.256209 Cu\n0.114522 0.105636 0.744963 Cu\n0.122057 0.604533 0.255371 Cu\n0.119396 0.593817 0.745946 Cu\n0.621762 0.105008 0.256013 Cu\n0.613245 0.102409 0.748114 Cu\n0.621718 0.612818 0.257515 Cu\n0.611510 0.600478 0.747474 Cu\n0.367916 0.396320 0.255636 Cu\n0.365235 0.396392 0.746973 Cu\n0.376269 0.898761 0.257136 Cu\n0.369520 0.898699 0.746214 Cu\n0.876406 0.398345 0.258091 Cu\n0.863459 0.388928 0.745578 Cu\n0.867380 0.896082 0.255860 Cu\n0.859659 0.901841 0.747982 Cu\n0.112593 0.116248 0.496140 O\n0.108810 0.117296 0.994436 O\n0.114590 0.616341 0.495710 O\n0.112585 0.609886 0.993578 O\n0.611394 0.115434 0.495540 O\n0.608464 0.115233 0.990956 O\n0.615285 0.614625 0.496112 O\n0.613086 0.618579 0.992906 O\n0.126517 0.361916 0.997892 O\n0.134763 0.369947 0.507299 O\n0.133008 0.861481 0.998141 O\n0.135084 0.869419 0.505250 O\n0.626243 0.367844 0.996810 O\n0.632802 0.367370 0.503703 O\n0.631422 0.867439 0.999367 O\n0.635179 0.868737 0.506823 O\n0.362298 0.130539 0.496411 O\n0.359705 0.128430 0.991872 O\n0.365988 0.631225 0.496250 O\n0.366205 0.627366 0.993517 O\n0.861647 0.128540 0.495749 O\n0.860618 0.134373 0.994708 O\n0.864552 0.629215 0.496331 O\n0.859331 0.628915 0.991947 O\n0.375098 0.380650 0.996576 O\n0.384396 0.388218 0.506700 O\n0.385329 0.879467 0.997912 O\n0.384790 0.888295 0.506521 O\n0.878852 0.382957 0.996726 O\n0.885017 0.387409 0.506825 O\n0.879822 0.885998 0.999718 O\n0.884614 0.885382 0.505982 O\n0.072058 0.094028 0.144988 O\n0.066177 0.088511 0.632851 O\n0.071340 0.577125 0.142294 O\n0.081779 0.589265 0.637091 O\n0.572306 0.081613 0.144165 O\n0.576371 0.088313 0.637479 O\n0.573392 0.594038 0.146939 O\n0.578472 0.583884 0.636337 O\n0.437004 0.412082 0.367481 O\n0.437435 0.415620 0.859383 O\n0.439609 0.909634 0.367949 O\n0.437655 0.912044 0.858519 O\n0.942052 0.409239 0.368797 O\n0.938127 0.410048 0.858660 O\n0.935405 0.912022 0.367613 O\n0.924687 0.925729 0.862375 O\n0.320166 0.310637 0.143376 O\n0.327266 0.299278 0.635898 O\n0.337584 0.812772 0.145696 O\n0.331754 0.800036 0.635679 O\n0.834225 0.314425 0.146333 O\n0.816298 0.293066 0.634226 O\n0.820672 0.810124 0.143570 O\n0.827914 0.800090 0.638098 O\n0.188065 0.206834 0.368067 O\n0.187215 0.198445 0.858666 O\n0.196261 0.705672 0.365474 O\n0.190260 0.685606 0.859376 O\n0.696970 0.204340 0.366448 O\n0.687569 0.198475 0.860606 O\n0.690133 0.706864 0.369307 O\n0.675275 0.698016 0.860530 O\n0.474679 0.047449 0.266624 O\n0.454310 0.054507 0.749034 O\n0.476949 0.535728 0.262929 O\n0.449994 0.547818 0.746178 O\n0.977572 0.035035 0.263617 O\n0.957055 0.046517 0.749238 O\n0.976038 0.545556 0.266311 O\n0.960498 0.521559 0.734382 O\n0.210972 0.453168 0.253347 O\n0.204922 0.439316 0.747596 O\n0.226922 0.974886 0.260346 O\n0.210748 0.961768 0.735083 O\n0.727483 0.475230 0.261644 O\n0.708011 0.454861 0.750540 O\n0.710254 0.953421 0.252981 O\n0.696316 0.944425 0.746557 O\n",
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],
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"formula_full": "Ba8 Sr24 Co16 Cu16 O80",
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}
]
}