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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=12185",
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"results": [
{
"id": "mp-1099810",
"created_at": "2022-09-04T14:43:22.935062Z",
"structure_string": "Sr8 Ca24 Mn28 Fe4 O80\n1.0\n-0.011437 0.010190 10.968002\n11.161266 0.004710 -0.011694\n-5.568155 15.437132 -5.463905\nSr Ca Mn Fe O\n8 24 28 4 80\ndirect\n0.308298 0.560470 0.609455 Sr\n0.806824 0.059969 0.609548 Sr\n0.199073 0.440734 0.891778 Sr\n0.057818 0.297937 0.608414 Sr\n0.058552 0.800257 0.609522 Sr\n0.558876 0.299412 0.610383 Sr\n0.448944 0.200563 0.889839 Sr\n0.945714 0.199918 0.386652 Sr\n0.305796 0.064484 0.108747 Ca\n0.307484 0.059700 0.603766 Ca\n0.305684 0.565567 0.109243 Ca\n0.803629 0.062077 0.105154 Ca\n0.806814 0.563260 0.108018 Ca\n0.806856 0.561578 0.606017 Ca\n0.199010 0.436565 0.392159 Ca\n0.199401 0.935300 0.391520 Ca\n0.199155 0.938362 0.895661 Ca\n0.698617 0.436801 0.392508 Ca\n0.701263 0.437346 0.895211 Ca\n0.698923 0.935504 0.392098 Ca\n0.699466 0.936739 0.893451 Ca\n0.057601 0.293743 0.108750 Ca\n0.056187 0.792782 0.107888 Ca\n0.558010 0.293885 0.109189 Ca\n0.556466 0.793325 0.108011 Ca\n0.557660 0.794229 0.605704 Ca\n0.450495 0.205662 0.391702 Ca\n0.448956 0.706488 0.392618 Ca\n0.450977 0.708295 0.895108 Ca\n0.950754 0.207226 0.894640 Ca\n0.949369 0.705045 0.391699 Ca\n0.948306 0.707404 0.894226 Ca\n0.004422 0.998106 0.497609 Mn\n0.002922 0.500161 0.496974 Mn\n0.504105 0.998686 0.497607 Mn\n0.507271 0.501104 0.002144 Mn\n0.504379 0.499346 0.497239 Mn\n0.256838 0.251536 0.002881 Mn\n0.254352 0.247200 0.496767 Mn\n0.256462 0.752679 0.001881 Mn\n0.255018 0.749865 0.496906 Mn\n0.757251 0.250807 0.000986 Mn\n0.752929 0.250113 0.497883 Mn\n0.752786 0.747481 0.496695 Mn\n0.111746 0.094112 0.247361 Mn\n0.111670 0.092817 0.752940 Mn\n0.110842 0.596084 0.250067 Mn\n0.108242 0.600976 0.751255 Mn\n0.607553 0.096101 0.249771 Mn\n0.611022 0.092457 0.749316 Mn\n0.608363 0.594902 0.249629 Mn\n0.615235 0.603274 0.752773 Mn\n0.357938 0.405272 0.250692 Mn\n0.367403 0.406170 0.751657 Mn\n0.358652 0.903325 0.250051 Mn\n0.364669 0.901608 0.749769 Mn\n0.857137 0.406743 0.248204 Mn\n0.860881 0.407357 0.752536 Mn\n0.857904 0.899108 0.247612 Mn\n0.858363 0.899382 0.751545 Mn\n0.005785 0.000238 0.000614 Fe\n0.006394 0.500832 0.002225 Fe\n0.506790 0.001447 0.002866 Fe\n0.755729 0.749621 0.000921 Fe\n0.127343 0.117824 0.490062 O\n0.125497 0.122912 0.990046 O\n0.122768 0.621267 0.485592 O\n0.125083 0.628161 0.991440 O\n0.619947 0.117904 0.484173 O\n0.630824 0.121591 0.991818 O\n0.623100 0.619337 0.487992 O\n0.623414 0.618326 0.989937 O\n0.138619 0.378582 0.015404 O\n0.131726 0.377351 0.503341 O\n0.137453 0.881158 0.012572 O\n0.135325 0.879216 0.505552 O\n0.641122 0.378979 0.014935 O\n0.634478 0.381055 0.507142 O\n0.634047 0.877894 0.012849 O\n0.629806 0.873066 0.505768 O\n0.371098 0.115031 0.485308 O\n0.372736 0.120214 0.993299 O\n0.374493 0.619788 0.487104 O\n0.376888 0.627250 0.993566 O\n0.871048 0.116088 0.488668 O\n0.874627 0.119355 0.988909 O\n0.871006 0.617471 0.486710 O\n0.872319 0.615785 0.987708 O\n0.388346 0.385613 0.017061 O\n0.381914 0.377725 0.502883 O\n0.383687 0.882192 0.012512 O\n0.385651 0.880949 0.510348 O\n0.886104 0.379673 0.013699 O\n0.879077 0.383404 0.506812 O\n0.886706 0.883523 0.013943 O\n0.880228 0.875690 0.502689 O\n0.084773 0.095199 0.134070 O\n0.075697 0.078890 0.634104 O\n0.081651 0.596232 0.131890 O\n0.071549 0.585471 0.633096 O\n0.580889 0.096050 0.132983 O\n0.575093 0.084215 0.629147 O\n0.580194 0.594297 0.134224 O\n0.576698 0.589215 0.633321 O\n0.445011 0.408741 0.365344 O\n0.447878 0.412526 0.870238 O\n0.443326 0.905840 0.365059 O\n0.451305 0.910610 0.867383 O\n0.942460 0.413807 0.362308 O\n0.948159 0.404248 0.868943 O\n0.944499 0.909909 0.363894 O\n0.946223 0.904673 0.867362 O\n0.329477 0.291437 0.137447 O\n0.325636 0.293120 0.631444 O\n0.329997 0.792203 0.134714 O\n0.324456 0.795141 0.630960 O\n0.829950 0.290478 0.133839 O\n0.820460 0.298514 0.631745 O\n0.828046 0.785355 0.134074 O\n0.821752 0.793761 0.632392 O\n0.191079 0.204870 0.363319 O\n0.193825 0.205902 0.867152 O\n0.199344 0.712799 0.369142 O\n0.196498 0.710983 0.868394 O\n0.690180 0.211235 0.367714 O\n0.695866 0.211921 0.869206 O\n0.692335 0.707218 0.365341 O\n0.698815 0.714301 0.867358 O\n0.422301 0.070173 0.249822 O\n0.424182 0.064350 0.742479 O\n0.425704 0.572946 0.250050 O\n0.438533 0.578782 0.757711 O\n0.929043 0.060764 0.240263 O\n0.932865 0.068945 0.757500 O\n0.922726 0.571622 0.249372 O\n0.926871 0.579102 0.751539 O\n0.177521 0.422378 0.250242 O\n0.186027 0.441683 0.750036 O\n0.175546 0.924170 0.249064 O\n0.186076 0.931454 0.758918 O\n0.674123 0.424910 0.249733 O\n0.682362 0.439170 0.758985 O\n0.679479 0.925513 0.250202 O\n0.677015 0.920968 0.750580 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.131805114531731,
"density_atomic": 0.07616339262740532,
"volume": 1890.6720805420834,
"volume_molar": 7.906870416685058,
"formula_full": "Sr8 Ca24 Mn28 Fe4 O80",
"formula_reduced": "Sr2Ca6Mn7FeO20",
"formula_anonymous": "AB2C6D7E20",
"energy": -1111.87047973,
"energy_per_atom": -7.721322775902777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1001.18247973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 131.6899054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.619000Z",
"spacegroup": 1
},
{
"id": "mp-1076750",
"created_at": "2022-09-04T14:40:07.915534Z",
"structure_string": "Sr12 Ca20 Mn28 Fe4 O80\n1.0\n-0.008281 -0.002307 10.991548\n11.156856 0.001853 -0.008538\n-5.571307 15.628240 -5.494796\nSr Ca Mn Fe O\n12 20 28 4 80\ndirect\n0.309333 0.559600 0.609569 Sr\n0.806148 0.057653 0.607894 Sr\n0.808527 0.558849 0.610217 Sr\n0.196635 0.438585 0.386971 Sr\n0.200537 0.442164 0.892507 Sr\n0.695826 0.936968 0.386167 Sr\n0.059464 0.299192 0.608901 Sr\n0.058850 0.801306 0.609732 Sr\n0.559084 0.300372 0.610516 Sr\n0.450140 0.200516 0.889997 Sr\n0.946445 0.197516 0.386307 Sr\n0.949075 0.200302 0.891287 Sr\n0.306317 0.064583 0.108419 Ca\n0.306720 0.059687 0.603612 Ca\n0.305065 0.567218 0.108914 Ca\n0.803306 0.062220 0.104915 Ca\n0.807443 0.562685 0.108399 Ca\n0.201910 0.935936 0.391872 Ca\n0.200514 0.939328 0.896874 Ca\n0.700083 0.437216 0.392110 Ca\n0.701007 0.438097 0.896669 Ca\n0.699973 0.937447 0.894283 Ca\n0.055797 0.291978 0.107076 Ca\n0.055457 0.793202 0.107058 Ca\n0.556126 0.294034 0.108044 Ca\n0.555539 0.792169 0.105904 Ca\n0.558532 0.794459 0.605163 Ca\n0.451295 0.205819 0.392220 Ca\n0.447995 0.706069 0.392853 Ca\n0.451327 0.709261 0.896084 Ca\n0.950371 0.704771 0.392199 Ca\n0.949930 0.709695 0.897527 Ca\n0.004967 0.998309 0.497869 Mn\n0.002570 0.499900 0.497278 Mn\n0.503173 0.998694 0.498319 Mn\n0.507658 0.501553 0.002799 Mn\n0.502993 0.498836 0.496299 Mn\n0.258279 0.252177 0.003501 Mn\n0.254105 0.246831 0.496859 Mn\n0.257697 0.753208 0.002437 Mn\n0.255120 0.751127 0.498202 Mn\n0.756980 0.251887 0.002960 Mn\n0.752168 0.249004 0.497009 Mn\n0.751893 0.746261 0.495873 Mn\n0.110579 0.090389 0.246186 Mn\n0.116500 0.091065 0.752490 Mn\n0.110497 0.599530 0.248242 Mn\n0.114244 0.603616 0.754727 Mn\n0.604105 0.096709 0.245930 Mn\n0.607973 0.092266 0.749327 Mn\n0.605890 0.591574 0.248158 Mn\n0.613434 0.605427 0.754971 Mn\n0.359118 0.404279 0.247086 Mn\n0.367913 0.406085 0.752869 Mn\n0.355067 0.902099 0.248652 Mn\n0.364993 0.901355 0.750617 Mn\n0.853213 0.407464 0.247746 Mn\n0.860235 0.411400 0.756364 Mn\n0.860380 0.897890 0.244507 Mn\n0.857049 0.899044 0.751491 Mn\n0.007239 0.000401 0.002641 Fe\n0.007452 0.502814 0.003896 Fe\n0.506471 0.001513 0.002152 Fe\n0.756219 0.749625 0.001195 Fe\n0.128333 0.118155 0.491806 O\n0.130376 0.123106 0.994751 O\n0.121950 0.624837 0.489765 O\n0.126295 0.628351 0.991568 O\n0.619846 0.121511 0.488560 O\n0.630528 0.122970 0.994010 O\n0.621751 0.618721 0.487413 O\n0.623995 0.618970 0.990980 O\n0.139904 0.380330 0.016261 O\n0.130773 0.376173 0.503853 O\n0.137126 0.879809 0.011288 O\n0.134094 0.878092 0.502779 O\n0.640436 0.380186 0.015153 O\n0.628949 0.375448 0.500589 O\n0.634303 0.878640 0.013092 O\n0.626612 0.871471 0.503740 O\n0.371732 0.115994 0.488046 O\n0.373156 0.120101 0.991712 O\n0.378623 0.625423 0.492310 O\n0.378126 0.627871 0.994534 O\n0.875336 0.120913 0.494080 O\n0.874748 0.119046 0.994151 O\n0.871752 0.617784 0.487434 O\n0.872191 0.615743 0.987255 O\n0.388062 0.386215 0.016241 O\n0.381720 0.375544 0.502155 O\n0.384065 0.883430 0.012599 O\n0.384182 0.881647 0.510750 O\n0.885498 0.381300 0.014482 O\n0.877762 0.378289 0.501670 O\n0.887878 0.882710 0.014152 O\n0.880862 0.873494 0.501348 O\n0.088310 0.093041 0.134688 O\n0.081698 0.076383 0.636017 O\n0.080663 0.598943 0.130773 O\n0.070612 0.583956 0.636553 O\n0.576003 0.095679 0.132502 O\n0.575648 0.081808 0.631367 O\n0.581263 0.594054 0.135664 O\n0.574829 0.587052 0.637182 O\n0.437247 0.409524 0.360792 O\n0.447021 0.414274 0.869590 O\n0.435231 0.907014 0.364441 O\n0.453751 0.912416 0.867560 O\n0.935921 0.414487 0.360354 O\n0.946451 0.411883 0.869159 O\n0.939708 0.912121 0.360500 O\n0.945677 0.910754 0.868330 O\n0.336871 0.290491 0.136042 O\n0.328271 0.297977 0.635550 O\n0.329093 0.792616 0.132670 O\n0.322771 0.798250 0.633327 O\n0.829075 0.292655 0.135466 O\n0.822590 0.310597 0.639466 O\n0.831443 0.783818 0.132466 O\n0.817876 0.800846 0.634172 O\n0.188452 0.194376 0.361066 O\n0.192054 0.204683 0.867082 O\n0.199027 0.707027 0.368898 O\n0.203630 0.712534 0.871101 O\n0.685924 0.198644 0.361182 O\n0.690442 0.209204 0.868275 O\n0.690027 0.695976 0.361572 O\n0.698922 0.715506 0.868982 O\n0.426211 0.071480 0.249353 O\n0.422949 0.065743 0.742831 O\n0.426582 0.576496 0.249148 O\n0.438892 0.579997 0.759145 O\n0.928641 0.062994 0.238786 O\n0.936866 0.059167 0.749877 O\n0.923234 0.570917 0.249422 O\n0.937433 0.578648 0.761388 O\n0.179275 0.424242 0.240322 O\n0.189535 0.440092 0.751317 O\n0.173119 0.920629 0.247585 O\n0.188895 0.927766 0.760144 O\n0.670279 0.420894 0.248231 O\n0.684348 0.437681 0.760295 O\n0.680052 0.929632 0.240027 O\n0.677277 0.921526 0.751895 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.240937685528422,
"density_atomic": 0.07513777371720268,
"volume": 1916.4794600113553,
"volume_molar": 8.014797966553592,
"formula_full": "Sr12 Ca20 Mn28 Fe4 O80",
"formula_reduced": "Sr3Ca5Mn7FeO20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1110.1856637,
"energy_per_atom": -7.709622664583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -999.4976637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 131.7042457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.385000Z",
"spacegroup": 1
},
{
"id": "mp-757258",
"created_at": "2022-09-04T14:43:45.272010Z",
"structure_string": "Fe26 Ni4 O40\n1.0\n3.026172 5.255118 0.000000\n-3.026172 5.255118 0.000000\n0.000000 3.538897 24.688681\nFe Ni O\n26 4 40\ndirect\n0.699308 0.201185 0.897940 Fe\n0.674978 0.674978 0.974402 Fe\n0.600537 0.600537 0.700300 Fe\n0.002422 0.002422 0.000170 Fe\n0.728531 0.728531 0.825213 Fe\n0.201185 0.699308 0.897940 Fe\n0.598978 0.099884 0.699506 Fe\n0.500598 0.997517 0.501722 Fe\n0.099884 0.598978 0.699506 Fe\n0.072654 0.072654 0.773490 Fe\n0.475101 0.475101 0.575428 Fe\n0.873399 0.873399 0.377642 Fe\n0.995919 0.995919 0.502305 Fe\n0.125702 0.125702 0.625273 Fe\n0.524632 0.524632 0.425557 Fe\n0.923329 0.923329 0.225552 Fe\n0.997517 0.500598 0.501722 Fe\n0.902282 0.398201 0.299941 Fe\n0.398201 0.902282 0.299941 Fe\n0.798355 0.301731 0.100894 Fe\n0.276906 0.276906 0.173720 Fe\n0.399449 0.399449 0.299944 Fe\n0.797954 0.797954 0.101263 Fe\n0.200541 0.200541 0.401513 Fe\n0.326138 0.326138 0.023625 Fe\n0.301731 0.798355 0.100894 Fe\n0.798347 0.798347 0.599960 Ni\n0.200147 0.200147 0.899019 Ni\n0.398896 0.398896 0.799546 Ni\n0.599526 0.599526 0.199751 Ni\n0.853699 0.329327 0.948803 O\n0.862439 0.862439 0.947469 O\n0.542763 0.542763 0.852722 O\n0.756881 0.756881 0.747554 O\n0.355459 0.355459 0.944624 O\n0.546415 0.064589 0.852630 O\n0.064589 0.546415 0.852630 O\n0.951940 0.462184 0.652520 O\n0.248527 0.734726 0.749259 O\n0.734726 0.248527 0.749259 O\n0.329327 0.853699 0.948803 O\n0.653504 0.653504 0.551589 O\n0.855266 0.855266 0.456719 O\n0.045427 0.045427 0.853893 O\n0.441673 0.441673 0.655118 O\n0.257513 0.257513 0.748311 O\n0.940474 0.940474 0.653971 O\n0.462184 0.951940 0.652520 O\n0.868471 0.334942 0.448796 O\n0.334942 0.868471 0.448796 O\n0.664465 0.138859 0.549218 O\n0.520383 0.066435 0.345765 O\n0.138859 0.664465 0.549218 O\n0.068493 0.068493 0.346157 O\n0.740077 0.740077 0.253307 O\n0.552429 0.552429 0.344277 O\n0.344054 0.344054 0.446704 O\n0.943724 0.943724 0.148469 O\n0.145238 0.145238 0.547783 O\n0.741698 0.264510 0.253076 O\n0.264510 0.741698 0.253076 O\n0.668643 0.132078 0.049033 O\n0.066435 0.520383 0.345765 O\n0.938236 0.466285 0.148713 O\n0.466285 0.938236 0.148713 O\n0.656330 0.656330 0.051065 O\n0.456298 0.456298 0.149911 O\n0.248979 0.248979 0.253400 O\n0.143417 0.143417 0.047656 O\n0.132078 0.668643 0.049033 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Ni-O",
"density": 4.9202727832415905,
"density_atomic": 0.08914440185212806,
"volume": 785.2428032005349,
"volume_molar": 6.755489559500857,
"formula_full": "Fe26 Ni4 O40",
"formula_reduced": "Fe13(NiO10)2",
"formula_anonymous": "A2B13C20",
"energy": -550.11144701,
"energy_per_atom": -7.858734957285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -453.81144701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 131.9999973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.347000Z",
"spacegroup": 8
},
{
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"created_at": "2022-09-04T14:46:02.028913Z",
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"created_at": "2022-09-04T14:40:34.745003Z",
"structure_string": "Sr20 Ca12 Mn28 Fe4 O80\n1.0\n-0.006785 -0.015914 11.015761\n11.118146 0.005614 -0.007113\n-5.547435 15.972021 -5.526044\nSr Ca Mn Fe O\n20 12 28 4 80\ndirect\n0.307932 0.057470 0.608104 Sr\n0.307782 0.558845 0.608666 Sr\n0.807918 0.058939 0.608860 Sr\n0.808956 0.558599 0.610361 Sr\n0.196924 0.439394 0.387797 Sr\n0.199656 0.442038 0.892632 Sr\n0.697613 0.440281 0.388575 Sr\n0.697664 0.940580 0.387821 Sr\n0.700563 0.940798 0.893330 Sr\n0.058872 0.299963 0.609154 Sr\n0.059263 0.801117 0.609647 Sr\n0.559097 0.301660 0.610206 Sr\n0.558669 0.800510 0.609551 Sr\n0.447527 0.198307 0.388075 Sr\n0.450286 0.202545 0.892534 Sr\n0.447338 0.698660 0.388139 Sr\n0.449227 0.701393 0.893070 Sr\n0.947482 0.196930 0.387382 Sr\n0.949947 0.200866 0.892545 Sr\n0.948210 0.699356 0.387832 Sr\n0.304936 0.063762 0.105736 Ca\n0.306227 0.563738 0.105773 Ca\n0.804812 0.062468 0.104967 Ca\n0.804742 0.562305 0.105120 Ca\n0.200526 0.938861 0.392910 Ca\n0.201119 0.939465 0.896953 Ca\n0.702796 0.440501 0.896853 Ca\n0.056422 0.292078 0.106312 Ca\n0.056295 0.793037 0.106452 Ca\n0.555414 0.293281 0.106097 Ca\n0.555240 0.792475 0.106000 Ca\n0.953565 0.708068 0.897888 Ca\n0.003230 0.999009 0.497731 Mn\n0.002877 0.499807 0.499153 Mn\n0.502456 0.999359 0.498015 Mn\n0.507627 0.501427 0.003679 Mn\n0.503227 0.499450 0.498940 Mn\n0.257423 0.251852 0.003530 Mn\n0.252513 0.247774 0.497577 Mn\n0.256466 0.753162 0.003983 Mn\n0.252494 0.749075 0.497867 Mn\n0.757508 0.253422 0.004538 Mn\n0.753116 0.249732 0.499014 Mn\n0.753503 0.749454 0.499154 Mn\n0.105730 0.091580 0.244873 Mn\n0.112060 0.095469 0.752556 Mn\n0.105865 0.597405 0.243346 Mn\n0.109269 0.602109 0.753700 Mn\n0.604819 0.092627 0.243274 Mn\n0.612176 0.100390 0.751678 Mn\n0.605486 0.593635 0.244629 Mn\n0.615336 0.597562 0.754795 Mn\n0.355340 0.401478 0.245130 Mn\n0.363411 0.404677 0.751873 Mn\n0.352777 0.902408 0.246715 Mn\n0.360261 0.904777 0.755125 Mn\n0.856066 0.402316 0.245148 Mn\n0.861258 0.408627 0.757112 Mn\n0.857864 0.899055 0.243347 Mn\n0.865487 0.900458 0.753567 Mn\n0.008224 0.001025 0.003770 Fe\n0.006526 0.501458 0.002896 Fe\n0.505881 0.002182 0.004143 Fe\n0.757345 0.750188 0.003040 Fe\n0.125543 0.118586 0.490686 O\n0.128667 0.120384 0.993444 O\n0.124657 0.622600 0.493580 O\n0.125318 0.627757 0.993640 O\n0.624828 0.123401 0.494605 O\n0.629191 0.127022 0.997099 O\n0.625352 0.623132 0.494666 O\n0.627638 0.618082 0.994117 O\n0.138307 0.379402 0.014704 O\n0.129221 0.375903 0.503729 O\n0.135852 0.879152 0.011874 O\n0.129823 0.876649 0.500948 O\n0.638331 0.381367 0.014156 O\n0.629449 0.376642 0.503431 O\n0.635144 0.879542 0.014411 O\n0.629482 0.876593 0.503645 O\n0.371135 0.116801 0.490042 O\n0.373086 0.121258 0.993953 O\n0.375118 0.621509 0.494302 O\n0.377024 0.624627 0.997446 O\n0.875952 0.122182 0.494938 O\n0.877820 0.122843 0.996793 O\n0.875160 0.621804 0.494011 O\n0.874516 0.617623 0.990087 O\n0.388533 0.384860 0.015403 O\n0.379666 0.376187 0.503445 O\n0.382648 0.883587 0.013943 O\n0.377740 0.877209 0.501651 O\n0.884302 0.381976 0.013606 O\n0.879535 0.377147 0.503488 O\n0.887804 0.881181 0.013036 O\n0.879847 0.877291 0.503046 O\n0.085195 0.091835 0.134486 O\n0.080006 0.080966 0.639440 O\n0.080191 0.594091 0.131860 O\n0.072770 0.583482 0.639197 O\n0.578671 0.094545 0.132945 O\n0.574511 0.083004 0.637551 O\n0.583998 0.597753 0.136740 O\n0.580236 0.582370 0.641381 O\n0.434347 0.418997 0.358959 O\n0.444314 0.416028 0.865416 O\n0.435848 0.918819 0.359917 O\n0.444234 0.919101 0.870285 O\n0.934293 0.418625 0.358879 O\n0.945672 0.414455 0.869946 O\n0.936180 0.918793 0.357571 O\n0.946854 0.910374 0.868576 O\n0.334222 0.288881 0.138190 O\n0.326377 0.303593 0.638806 O\n0.327922 0.790834 0.137770 O\n0.323494 0.807040 0.641387 O\n0.833415 0.290303 0.137326 O\n0.826832 0.311210 0.643353 O\n0.833320 0.786730 0.133257 O\n0.827294 0.804841 0.639992 O\n0.182497 0.192782 0.357481 O\n0.191437 0.204115 0.863175 O\n0.183344 0.697182 0.356983 O\n0.192421 0.709143 0.866098 O\n0.682769 0.188800 0.357218 O\n0.690133 0.208334 0.864816 O\n0.683938 0.690330 0.358333 O\n0.695324 0.703502 0.868399 O\n0.428387 0.062083 0.240015 O\n0.440482 0.064173 0.752201 O\n0.429500 0.564878 0.239785 O\n0.441218 0.568164 0.751901 O\n0.928671 0.064545 0.238595 O\n0.940373 0.065373 0.751888 O\n0.930493 0.564279 0.239861 O\n0.938287 0.576736 0.760944 O\n0.179544 0.427610 0.239872 O\n0.190950 0.440299 0.752391 O\n0.177458 0.922643 0.247249 O\n0.188553 0.931704 0.759948 O\n0.679704 0.425444 0.239882 O\n0.688173 0.431247 0.759987 O\n0.681229 0.925943 0.239395 O\n0.693583 0.938492 0.753187 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.479200572497499,
"density_atomic": 0.0736371438807758,
"volume": 1955.5348348809819,
"volume_molar": 8.178129192178215,
"formula_full": "Sr20 Ca12 Mn28 Fe4 O80",
"formula_reduced": "Sr5Ca3Mn7FeO20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1107.21695476,
"energy_per_atom": -7.6890066302777775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -996.52895476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 132.0038217,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.725000Z",
"spacegroup": 1
},
{
"id": "mp-1099902",
"created_at": "2022-09-04T14:40:21.652732Z",
"structure_string": "La28 Sm4 Mn4 Fe28 O80\n1.0\n0.006726 0.007557 11.034527\n11.828672 0.001341 0.006298\n-5.916239 15.860424 -5.509291\nLa Sm Mn Fe O\n28 4 4 28 80\ndirect\n0.301845 0.062252 0.111718 La\n0.305352 0.064047 0.609610 La\n0.304841 0.566187 0.610543 La\n0.805169 0.064518 0.611466 La\n0.804827 0.564809 0.110851 La\n0.803024 0.564295 0.610239 La\n0.193571 0.434941 0.387987 La\n0.191849 0.435927 0.892778 La\n0.192035 0.933715 0.386126 La\n0.192889 0.935676 0.889018 La\n0.693599 0.435340 0.388312 La\n0.693181 0.935077 0.389580 La\n0.692601 0.936407 0.889041 La\n0.053671 0.296971 0.111408 La\n0.053249 0.293936 0.609357 La\n0.052816 0.796517 0.609979 La\n0.555115 0.296007 0.111379 La\n0.555131 0.297978 0.613274 La\n0.550464 0.796422 0.111002 La\n0.554879 0.796435 0.611332 La\n0.444048 0.203070 0.388883 La\n0.446499 0.206425 0.890334 La\n0.442934 0.702542 0.386932 La\n0.444348 0.704116 0.889354 La\n0.943786 0.204275 0.387820 La\n0.940525 0.203967 0.889294 La\n0.943684 0.702350 0.386994 La\n0.942826 0.703698 0.891028 La\n0.301706 0.565758 0.109946 Sm\n0.802532 0.066050 0.108123 Sm\n0.692030 0.435364 0.891469 Sm\n0.054519 0.794112 0.110492 Sm\n0.108615 0.595859 0.750435 Mn\n0.362296 0.403139 0.751028 Mn\n0.360083 0.904425 0.750490 Mn\n0.860032 0.903864 0.247014 Mn\n0.005494 0.999475 0.001840 Fe\n0.005469 0.998445 0.498835 Fe\n0.005043 0.501630 0.001151 Fe\n0.005588 0.500289 0.500099 Fe\n0.505961 0.999609 0.001089 Fe\n0.504890 0.999723 0.499451 Fe\n0.505796 0.500557 0.000392 Fe\n0.504604 0.499751 0.499383 Fe\n0.255554 0.250640 0.001604 Fe\n0.255572 0.249083 0.499390 Fe\n0.255137 0.749568 0.000112 Fe\n0.255538 0.749729 0.499283 Fe\n0.754962 0.250846 0.000573 Fe\n0.754864 0.249818 0.499886 Fe\n0.757421 0.751111 0.001939 Fe\n0.754410 0.749964 0.499481 Fe\n0.108495 0.100001 0.247853 Fe\n0.112181 0.103825 0.750873 Fe\n0.113570 0.602702 0.247964 Fe\n0.613427 0.101255 0.249070 Fe\n0.612986 0.104704 0.750548 Fe\n0.608300 0.601022 0.248181 Fe\n0.614169 0.602372 0.752165 Fe\n0.360858 0.398120 0.248074 Fe\n0.359469 0.895646 0.248233 Fe\n0.861744 0.396935 0.249199 Fe\n0.859717 0.398128 0.751535 Fe\n0.862269 0.898019 0.751028 Fe\n0.115777 0.116969 0.477944 O\n0.114251 0.118464 0.978658 O\n0.115505 0.616881 0.476486 O\n0.116633 0.619948 0.981217 O\n0.616135 0.117069 0.478143 O\n0.616427 0.119203 0.980102 O\n0.615623 0.617054 0.478756 O\n0.616445 0.616101 0.975915 O\n0.139555 0.387452 0.024498 O\n0.136214 0.381566 0.520912 O\n0.136566 0.881508 0.025819 O\n0.137786 0.882499 0.521838 O\n0.635586 0.382867 0.021020 O\n0.636874 0.382518 0.521480 O\n0.642526 0.887648 0.026358 O\n0.637716 0.883255 0.521057 O\n0.364942 0.109400 0.476390 O\n0.365461 0.109093 0.978669 O\n0.365448 0.609951 0.476666 O\n0.365660 0.609455 0.980172 O\n0.866893 0.111821 0.479078 O\n0.864524 0.109739 0.981042 O\n0.866040 0.611142 0.478659 O\n0.862765 0.607368 0.974328 O\n0.385796 0.392074 0.025076 O\n0.386647 0.387501 0.520144 O\n0.388120 0.888117 0.023287 O\n0.387717 0.887821 0.520967 O\n0.883924 0.388639 0.019389 O\n0.886964 0.388441 0.521301 O\n0.891536 0.891629 0.028440 O\n0.886488 0.888865 0.520571 O\n0.092678 0.117081 0.139650 O\n0.091453 0.113757 0.639868 O\n0.100264 0.616543 0.139175 O\n0.094552 0.616870 0.639519 O\n0.601600 0.114893 0.140472 O\n0.592453 0.114662 0.639324 O\n0.593550 0.616412 0.139553 O\n0.592236 0.613266 0.641056 O\n0.451339 0.385507 0.358814 O\n0.464633 0.384490 0.861278 O\n0.450758 0.885101 0.359405 O\n0.456323 0.883973 0.861680 O\n0.950870 0.385672 0.359931 O\n0.953749 0.385228 0.861080 O\n0.955342 0.883170 0.358785 O\n0.952932 0.885943 0.861421 O\n0.343258 0.271576 0.140148 O\n0.345869 0.272832 0.639026 O\n0.342336 0.771005 0.139801 O\n0.346013 0.773744 0.639205 O\n0.841182 0.273658 0.139133 O\n0.840517 0.276548 0.640817 O\n0.856950 0.769750 0.139621 O\n0.840491 0.775807 0.640062 O\n0.198252 0.221792 0.358439 O\n0.203603 0.225600 0.861236 O\n0.202713 0.724749 0.359070 O\n0.205709 0.727018 0.861386 O\n0.702020 0.224221 0.359668 O\n0.702048 0.227482 0.860961 O\n0.699901 0.723365 0.359522 O\n0.704277 0.728014 0.861563 O\n0.420104 0.067595 0.250170 O\n0.419731 0.073398 0.750625 O\n0.412493 0.569632 0.244291 O\n0.418419 0.572447 0.749929 O\n0.912091 0.073712 0.244529 O\n0.918667 0.070555 0.750887 O\n0.920917 0.567848 0.248997 O\n0.916138 0.570984 0.750499 O\n0.168344 0.430360 0.249548 O\n0.169002 0.425967 0.751005 O\n0.162922 0.925349 0.244157 O\n0.167664 0.929689 0.750280 O\n0.668409 0.431172 0.250069 O\n0.667876 0.430501 0.756232 O\n0.668248 0.927472 0.249728 O\n0.668500 0.932098 0.750139 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sm",
"density": 6.057719598938234,
"density_atomic": 0.06954029604010611,
"volume": 2070.741831713667,
"volume_molar": 8.659929714027733,
"formula_full": "La28 Sm4 Mn4 Fe28 O80",
"formula_reduced": "La7SmMnFe7O20",
"formula_anonymous": "ABC7D7E20",
"energy": -1221.31676225,
"energy_per_atom": -8.481366404513889,
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"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1096.51676225,
"band_gap": 0.8737000000000004,
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"total_magnetization": 132.0278857,
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"updated_at": "2021-11-28T01:34:47.905000Z",
"spacegroup": 1
},
{
"id": "mp-1076614",
"created_at": "2022-09-04T14:46:09.570429Z",
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{
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{
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{
"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,
"energy_per_atom": -7.095777704930556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -904.52798951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 134.7757515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.801000Z",
"spacegroup": 1
}
]
}