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{
"count": 146323,
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"results": [
{
"id": "mp-1099861",
"created_at": "2022-09-04T14:40:39.013432Z",
"structure_string": "La28 Sm4 Mn20 Fe12 O80\n1.0\n0.004062 -0.005156 11.175197\n11.867099 0.002105 0.002710\n-5.933492 15.874928 -5.596476\nLa Sm Mn Fe O\n28 4 20 12 80\ndirect\n0.299731 0.065928 0.110601 La\n0.305918 0.063641 0.609007 La\n0.299164 0.566091 0.610601 La\n0.799290 0.065043 0.610559 La\n0.801111 0.567981 0.109413 La\n0.802784 0.564868 0.609444 La\n0.191243 0.435381 0.390105 La\n0.190444 0.434647 0.891683 La\n0.191734 0.933229 0.387297 La\n0.193510 0.935443 0.890732 La\n0.695450 0.435282 0.389367 La\n0.686124 0.933857 0.389894 La\n0.692610 0.933056 0.890030 La\n0.047200 0.294309 0.110605 La\n0.052383 0.294361 0.611211 La\n0.052331 0.794292 0.610125 La\n0.554477 0.292658 0.109934 La\n0.553943 0.296114 0.612001 La\n0.547422 0.794787 0.111123 La\n0.550262 0.791149 0.608400 La\n0.443313 0.209423 0.389574 La\n0.446749 0.206592 0.890111 La\n0.437224 0.704650 0.387386 La\n0.443505 0.704250 0.890357 La\n0.939787 0.203809 0.388146 La\n0.935838 0.206687 0.889991 La\n0.940630 0.704980 0.389437 La\n0.943363 0.705035 0.890590 La\n0.295608 0.567124 0.108184 Sm\n0.799372 0.064972 0.107965 Sm\n0.689796 0.434728 0.892355 Sm\n0.049484 0.793211 0.108802 Sm\n0.003658 0.998612 0.499732 Mn\n0.254603 0.251859 0.001310 Mn\n0.254917 0.249864 0.499546 Mn\n0.753812 0.250248 0.500261 Mn\n0.105493 0.095981 0.247961 Mn\n0.109799 0.098702 0.750989 Mn\n0.108480 0.598005 0.247911 Mn\n0.109369 0.597094 0.750918 Mn\n0.610332 0.096400 0.248744 Mn\n0.609669 0.097120 0.750445 Mn\n0.604689 0.597646 0.248163 Mn\n0.609864 0.596602 0.751037 Mn\n0.357717 0.403986 0.248278 Mn\n0.361279 0.401996 0.750626 Mn\n0.355218 0.901919 0.247869 Mn\n0.360252 0.902366 0.750920 Mn\n0.858890 0.401822 0.248909 Mn\n0.857461 0.403218 0.752035 Mn\n0.858716 0.902356 0.247891 Mn\n0.858591 0.901629 0.750267 Mn\n0.005272 0.999615 0.001161 Fe\n0.003919 0.502422 0.001525 Fe\n0.005104 0.499660 0.499973 Fe\n0.506989 0.998998 0.000834 Fe\n0.503369 0.999488 0.499185 Fe\n0.504962 0.500525 0.000808 Fe\n0.504725 0.502032 0.500262 Fe\n0.255034 0.750444 0.001185 Fe\n0.254683 0.749584 0.500071 Fe\n0.754846 0.249810 0.000583 Fe\n0.756118 0.750608 0.001130 Fe\n0.752853 0.749325 0.499281 Fe\n0.113426 0.116617 0.475166 O\n0.112170 0.117176 0.977499 O\n0.114031 0.616593 0.477897 O\n0.115437 0.619133 0.981928 O\n0.611462 0.119274 0.478467 O\n0.617778 0.115938 0.979671 O\n0.614596 0.618050 0.477707 O\n0.615131 0.613783 0.974807 O\n0.137324 0.387156 0.026159 O\n0.136154 0.382824 0.522370 O\n0.137533 0.880750 0.025654 O\n0.139492 0.880615 0.522801 O\n0.634864 0.380851 0.019232 O\n0.637618 0.384129 0.522940 O\n0.641815 0.883512 0.024967 O\n0.635920 0.885052 0.521617 O\n0.365344 0.107731 0.476590 O\n0.367566 0.109819 0.977135 O\n0.362566 0.612092 0.476430 O\n0.364852 0.610708 0.979561 O\n0.861635 0.106943 0.476187 O\n0.864321 0.110393 0.980164 O\n0.865287 0.609050 0.477462 O\n0.861828 0.609781 0.975044 O\n0.388284 0.397410 0.027992 O\n0.388667 0.394068 0.522446 O\n0.387993 0.889940 0.021675 O\n0.387276 0.888558 0.521487 O\n0.882343 0.390257 0.018556 O\n0.889882 0.389396 0.522440 O\n0.891243 0.893842 0.028677 O\n0.885560 0.885814 0.522398 O\n0.099213 0.120083 0.139825 O\n0.099016 0.116923 0.639641 O\n0.101142 0.620324 0.138900 O\n0.095939 0.616971 0.640191 O\n0.606369 0.115555 0.139553 O\n0.596239 0.117463 0.639682 O\n0.602545 0.619095 0.139713 O\n0.597865 0.615348 0.639872 O\n0.458649 0.387700 0.360565 O\n0.465902 0.383575 0.860431 O\n0.452710 0.882573 0.359083 O\n0.459078 0.881257 0.861146 O\n0.955436 0.382298 0.360141 O\n0.959914 0.383391 0.861726 O\n0.959808 0.880764 0.358310 O\n0.956740 0.883154 0.861722 O\n0.352582 0.269725 0.140869 O\n0.350870 0.272152 0.639491 O\n0.348916 0.769905 0.139480 O\n0.346265 0.772122 0.639814 O\n0.845007 0.270034 0.138460 O\n0.847383 0.272835 0.641104 O\n0.857830 0.771347 0.139769 O\n0.845687 0.772195 0.639169 O\n0.208748 0.226460 0.358692 O\n0.212607 0.229619 0.860950 O\n0.207334 0.727347 0.359441 O\n0.206122 0.727374 0.862058 O\n0.707820 0.228072 0.359457 O\n0.705365 0.229366 0.861113 O\n0.704183 0.726646 0.359896 O\n0.708272 0.728458 0.861104 O\n0.419610 0.071559 0.250152 O\n0.419539 0.071509 0.750168 O\n0.410979 0.572856 0.243961 O\n0.418129 0.572076 0.750270 O\n0.912648 0.072432 0.244953 O\n0.918194 0.072451 0.750870 O\n0.918826 0.570836 0.248980 O\n0.918321 0.570928 0.750354 O\n0.167300 0.428422 0.249796 O\n0.170485 0.427873 0.750939 O\n0.162343 0.923937 0.244046 O\n0.169327 0.928740 0.751022 O\n0.668464 0.429329 0.249421 O\n0.668106 0.427616 0.755741 O\n0.668664 0.927206 0.250454 O\n0.667635 0.927329 0.749539 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sm",
"density": 5.947444740747042,
"density_atomic": 0.0684057881902854,
"volume": 2105.0850199903125,
"volume_molar": 8.803554376492414,
"formula_full": "La28 Sm4 Mn20 Fe12 O80",
"formula_reduced": "La7SmMn5Fe3O20",
"formula_anonymous": "AB3C5D7E20",
"energy": -1248.77633638,
"energy_per_atom": -8.672057891527778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1133.38433638,
"band_gap": 0.4192,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 147.9297057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.877000Z",
"spacegroup": 1
},
{
"id": "mp-1245166",
"created_at": "2022-09-04T14:41:23.107153Z",
"structure_string": "Cr4 Fe28 O48\n1.0\n10.379311 0.260422 0.120402\n0.149994 9.139990 -0.394995\n0.043983 -0.470947 10.371961\nCr Fe O\n4 28 48\ndirect\n0.390875 0.740025 0.163320 Cr\n0.669796 0.315315 0.124230 Cr\n0.183988 0.981844 0.176947 Cr\n0.906904 0.390606 0.218293 Cr\n0.644904 0.823220 0.724625 Fe\n0.676137 0.237918 0.486745 Fe\n0.714623 0.971183 0.975757 Fe\n0.975349 0.152716 0.981004 Fe\n0.641469 0.565114 0.890817 Fe\n0.947264 0.103540 0.409288 Fe\n0.480974 0.426665 0.320490 Fe\n0.107459 0.507502 0.035846 Fe\n0.681310 0.912041 0.279232 Fe\n0.388514 0.453289 0.988275 Fe\n0.294238 0.250793 0.512999 Fe\n0.671015 0.229665 0.823805 Fe\n0.476089 0.117570 0.163881 Fe\n0.144501 0.642537 0.334862 Fe\n0.995466 0.417696 0.515678 Fe\n0.929581 0.754753 0.122999 Fe\n0.604006 0.669819 0.455144 Fe\n0.152994 0.828985 0.909379 Fe\n0.918432 0.684989 0.720926 Fe\n0.502486 0.423306 0.664668 Fe\n0.191736 0.620329 0.664263 Fe\n0.124333 0.003271 0.658974 Fe\n0.187194 0.301236 0.237167 Fe\n0.892091 0.801072 0.455714 Fe\n0.413772 0.787660 0.873604 Fe\n0.147656 0.331132 0.756003 Fe\n0.350180 0.831752 0.448661 Fe\n0.445995 0.033020 0.656589 Fe\n0.244425 0.689532 0.504649 O\n0.060854 0.976335 0.042906 O\n0.509782 0.918692 0.212055 O\n0.283222 0.024774 0.538364 O\n0.500939 0.370097 0.844680 O\n0.738411 0.735744 0.352588 O\n0.617463 0.044956 0.723953 O\n0.842731 0.220315 0.137444 O\n0.568343 0.472649 0.487049 O\n0.690554 0.339336 0.677209 O\n0.471840 0.216547 0.570477 O\n0.294218 0.128794 0.152628 O\n0.512326 0.843304 0.545539 O\n0.262852 0.847982 0.283910 O\n0.107407 0.251606 0.566625 O\n0.999137 0.792429 0.289395 O\n0.088230 0.111607 0.292630 O\n0.824350 0.091806 0.885430 O\n0.576636 0.870800 0.901979 O\n0.225388 0.393184 0.917563 O\n0.053451 0.314171 0.089542 O\n0.070582 0.817908 0.737402 O\n0.082520 0.147546 0.809176 O\n0.782655 0.768546 0.608984 O\n0.041425 0.691263 0.974999 O\n0.781100 0.694580 0.848819 O\n0.465595 0.653766 0.323720 O\n0.319038 0.357452 0.368555 O\n0.331400 0.947352 0.775384 O\n0.867048 0.299382 0.435461 O\n0.252954 0.570177 0.143061 O\n0.995108 0.966433 0.531462 O\n0.541028 0.637968 0.740375 O\n0.985712 0.632056 0.529225 O\n0.725544 0.446094 0.249058 O\n0.270474 0.667360 0.826157 O\n0.293900 0.421931 0.651992 O\n0.296902 0.854839 0.035522 O\n0.049284 0.443030 0.330292 O\n0.488092 0.634318 0.006405 O\n0.773564 0.028102 0.403132 O\n0.584227 0.221473 0.290168 O\n0.603146 0.139619 0.029669 O\n0.478197 0.372897 0.130524 O\n0.033665 0.497821 0.720139 O\n0.923751 0.547381 0.124024 O\n0.716988 0.392319 0.965314 O\n0.782311 0.884000 0.120654 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-O",
"density": 4.296367179824908,
"density_atomic": 0.08150313117462687,
"volume": 981.5573812568464,
"volume_molar": 7.388845892432142,
"formula_full": "Cr4 Fe28 O48",
"formula_reduced": "CrFe7O12",
"formula_anonymous": "AB7C12",
"energy": -633.25840617,
"energy_per_atom": -7.915730077125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -529.11840617,
"band_gap": 0.1562999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 148.002793,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.355000Z",
"spacegroup": 1
},
{
"id": "mp-1215136",
"created_at": "2022-09-04T14:46:34.312417Z",
"structure_string": "Ca6 Fe30 O50\n1.0\n-0.000000 -6.075948 -0.000000\n5.229513 -3.037974 -0.575541\n5.255174 -3.037974 31.547139\nCa Fe O\n6 30 50\ndirect\n0.925087 0.970894 0.086749 Ca\n0.982731 0.029106 0.913251 Ca\n0.818319 0.864553 0.406878 Ca\n0.089750 0.135447 0.593122 Ca\n0.255330 0.299703 0.099366 Ca\n0.654399 0.700297 0.900634 Ca\n0.742213 0.269463 0.172239 Fe\n0.183915 0.730537 0.827761 Fe\n0.214778 0.256625 0.227875 Fe\n0.699278 0.743375 0.772125 Fe\n0.612696 -0.000000 0.000000 Fe\n0.333038 0.896005 0.328859 Fe\n0.557901 0.103995 0.671141 Fe\n0.538241 0.582926 0.249829 Fe\n0.370996 0.417074 0.750171 Fe\n0.349707 0.378363 0.328947 Fe\n0.057017 0.621637 0.671053 Fe\n0.863049 0.909194 0.271919 Fe\n0.044162 0.090806 0.728081 Fe\n0.227170 0.771740 0.172147 Fe\n0.171057 0.228260 0.827853 Fe\n0.452959 0.158806 0.500034 Fe\n0.111799 0.841194 0.499966 Fe\n0.802814 0.500000 0.500000 Fe\n0.950665 0.338452 0.999900 Fe\n0.289016 0.661548 0.000100 Fe\n0.686279 0.215315 0.827537 Fe\n0.729132 0.784685 0.172463 Fe\n0.755476 0.802124 0.593280 Fe\n0.150881 0.197876 0.406720 Fe\n0.594917 0.641351 0.075911 Fe\n0.312179 0.358649 0.924089 Fe\n0.479512 0.523271 0.426164 Fe\n0.428948 0.476729 0.573836 Fe\n0.574639 0.605149 0.671186 Fe\n0.850974 0.394851 0.328814 Fe\n0.705255 0.547579 0.562873 O\n0.815708 0.452421 0.437127 O\n0.885530 0.928405 0.212573 O\n0.026509 0.071595 0.787427 O\n0.190335 0.236074 0.291584 O\n0.717994 0.763926 0.708416 O\n0.501917 0.138354 0.562757 O\n0.203028 0.861646 0.437243 O\n0.072250 0.098855 0.141661 O\n0.312766 0.901145 0.858339 O\n0.791483 0.859500 0.487878 O\n0.138860 0.140500 0.512122 O\n0.406283 0.246135 0.437125 O\n0.089543 0.753865 0.562875 O\n0.212032 0.723768 0.290910 O\n0.226710 0.276232 0.709090 O\n0.301118 0.636803 0.061561 O\n-0.000518 0.363197 0.938439 O\n0.465838 0.049142 0.363552 O\n0.878532 0.950858 0.636448 O\n0.399322 0.899111 0.212140 O\n0.510573 0.100889 0.787860 O\n0.599093 0.115494 0.141797 O\n0.856384 0.884506 0.858203 O\n0.577028 0.619699 0.139178 O\n0.335905 0.380301 0.860822 O\n0.441613 0.926078 0.636462 O\n0.004152 0.073922 0.363538 O\n0.605505 0.046939 0.938403 O\n0.590847 0.953061 0.061597 O\n0.906397 0.347813 0.061420 O\n0.315630 0.652187 0.938580 O\n0.678057 0.726515 0.290979 O\n0.695550 0.273485 0.709021 O\n0.950239 0.000000 0.000000 O\n0.511268 0.556218 0.787643 O\n0.855129 0.443782 0.212357 O\n0.903617 0.488662 0.636482 O\n0.028761 0.511338 0.363518 O\n0.400898 0.442819 0.212160 O\n0.055877 0.557181 0.787840 O\n0.284179 0.332039 0.002235 O\n0.618452 0.667961 0.997765 O\n0.500070 0.545078 0.362202 O\n0.407350 0.454922 0.637798 O\n0.681229 0.257374 0.291014 O\n0.229618 0.742626 0.708986 O\n0.434515 0.500000 0.500000 O\n0.055871 0.641993 0.141914 O\n0.839778 0.358007 0.858086 O\n",
"nsites": 86,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.417939001312265,
"density_atomic": 0.08425063910733784,
"volume": 1020.7637699986278,
"volume_molar": 7.147887332139537,
"formula_full": "Ca6 Fe30 O50",
"formula_reduced": "Ca3(Fe3O5)5",
"formula_anonymous": "A3B15C25",
"energy": -674.42171681,
"energy_per_atom": -7.842112986162791,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -572.39171681,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 148.1571524,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.312000Z",
"spacegroup": 5
},
{
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"id": "mp-1076797",
"created_at": "2022-09-04T14:43:50.112113Z",
"structure_string": "La28 Sm4 Mn24 Fe8 O80\n1.0\n-0.001415 -0.009607 11.318567\n11.872407 0.001184 -0.001779\n-5.934055 15.854857 -5.671724\nLa Sm Mn Fe O\n28 4 24 8 80\ndirect\n0.297451 0.065152 0.110519 La\n0.303951 0.064339 0.610106 La\n0.300068 0.564880 0.610882 La\n0.794671 0.065195 0.610835 La\n0.799637 0.565748 0.109433 La\n0.799973 0.564710 0.611367 La\n0.189081 0.433941 0.388392 La\n0.189641 0.436416 0.891455 La\n0.192248 0.934531 0.387345 La\n0.191377 0.935706 0.889997 La\n0.688221 0.435599 0.388778 La\n0.682701 0.934538 0.388419 La\n0.690080 0.934247 0.890531 La\n0.044414 0.294777 0.110662 La\n0.050267 0.297074 0.612497 La\n0.048938 0.797654 0.610494 La\n0.553707 0.294056 0.110475 La\n0.549659 0.295260 0.612029 La\n0.546965 0.794962 0.110330 La\n0.550983 0.794190 0.611076 La\n0.439110 0.204891 0.388184 La\n0.444622 0.206090 0.889758 La\n0.437425 0.705130 0.387683 La\n0.440062 0.704221 0.889686 La\n0.936548 0.200741 0.387312 La\n0.934767 0.205756 0.889612 La\n0.937379 0.703522 0.386864 La\n0.940656 0.703929 0.890897 La\n0.294023 0.566804 0.109382 Sm\n0.796946 0.065209 0.108671 Sm\n0.688845 0.434820 0.891783 Sm\n0.048221 0.793758 0.110021 Sm\n0.002414 0.000101 0.499546 Mn\n0.001917 0.499687 0.499677 Mn\n0.501660 0.499803 0.499795 Mn\n0.253587 0.251690 0.001218 Mn\n0.251918 0.248947 0.499569 Mn\n0.252261 0.750241 0.499407 Mn\n0.751628 0.249412 0.500226 Mn\n0.751219 0.750487 0.499290 Mn\n0.103714 0.096567 0.247487 Mn\n0.108851 0.100947 0.750439 Mn\n0.109249 0.598977 0.248271 Mn\n0.108999 0.599069 0.750608 Mn\n0.609708 0.097306 0.248489 Mn\n0.609456 0.099154 0.753064 Mn\n0.604186 0.598480 0.247218 Mn\n0.609860 0.597954 0.752288 Mn\n0.357170 0.401661 0.247313 Mn\n0.360531 0.401652 0.751212 Mn\n0.352917 0.898956 0.244839 Mn\n0.358439 0.901212 0.750312 Mn\n0.858249 0.400328 0.249537 Mn\n0.856840 0.401172 0.752036 Mn\n0.858669 0.900381 0.248113 Mn\n0.860191 0.901917 0.751481 Mn\n0.004102 0.998912 0.001489 Fe\n0.003782 0.501302 0.001487 Fe\n0.505380 0.999965 0.000575 Fe\n0.502478 0.999824 0.499647 Fe\n0.504292 0.501753 0.001240 Fe\n0.254216 0.750244 0.001016 Fe\n0.753557 0.249960 0.000448 Fe\n0.756011 0.750673 0.001256 Fe\n0.111415 0.114028 0.471331 O\n0.110748 0.116049 0.976739 O\n0.109449 0.617756 0.473761 O\n0.114265 0.617574 0.979887 O\n0.612095 0.117589 0.480708 O\n0.615295 0.116141 0.978215 O\n0.610129 0.619426 0.476686 O\n0.614779 0.613919 0.975188 O\n0.135952 0.385986 0.027284 O\n0.135915 0.382297 0.526040 O\n0.135204 0.879271 0.026939 O\n0.139036 0.885005 0.526408 O\n0.635027 0.379916 0.020902 O\n0.633854 0.380942 0.523828 O\n0.639864 0.884331 0.025220 O\n0.631098 0.882349 0.518288 O\n0.366650 0.110214 0.479810 O\n0.365961 0.109856 0.975657 O\n0.360199 0.607244 0.475197 O\n0.362706 0.612181 0.976451 O\n0.859665 0.106897 0.473370 O\n0.862605 0.109223 0.979838 O\n0.859788 0.607476 0.474420 O\n0.860551 0.606642 0.974326 O\n0.387410 0.401731 0.028448 O\n0.384241 0.391310 0.523195 O\n0.385575 0.892455 0.022748 O\n0.387402 0.888959 0.520025 O\n0.882523 0.390792 0.020562 O\n0.885109 0.392633 0.525397 O\n0.889293 0.893608 0.029430 O\n0.885851 0.892694 0.525386 O\n0.102605 0.121664 0.140421 O\n0.105471 0.121332 0.640669 O\n0.105449 0.621981 0.139850 O\n0.102836 0.621367 0.641130 O\n0.609792 0.118124 0.140341 O\n0.601370 0.120071 0.643422 O\n0.607275 0.621242 0.140142 O\n0.602964 0.618742 0.642036 O\n0.460435 0.380738 0.357961 O\n0.468623 0.383133 0.860510 O\n0.454690 0.880533 0.355717 O\n0.459838 0.880687 0.860448 O\n0.961957 0.377886 0.358908 O\n0.962888 0.380477 0.860967 O\n0.965018 0.878656 0.357669 O\n0.959671 0.881179 0.861962 O\n0.356803 0.268505 0.140395 O\n0.353121 0.271554 0.641085 O\n0.352330 0.766532 0.138559 O\n0.355563 0.772411 0.640434 O\n0.846684 0.269047 0.139193 O\n0.850116 0.270912 0.641552 O\n0.861075 0.769587 0.140420 O\n0.849024 0.771726 0.640375 O\n0.213129 0.224790 0.357848 O\n0.215469 0.230791 0.860601 O\n0.211825 0.729014 0.358621 O\n0.208965 0.729461 0.861162 O\n0.708335 0.228841 0.359602 O\n0.708906 0.231648 0.862038 O\n0.707739 0.728817 0.358036 O\n0.710467 0.730457 0.861732 O\n0.421851 0.068671 0.249216 O\n0.422007 0.069961 0.750616 O\n0.414276 0.570517 0.244044 O\n0.420731 0.570845 0.749855 O\n0.914081 0.070342 0.244537 O\n0.920818 0.071343 0.750762 O\n0.922465 0.568399 0.248987 O\n0.921100 0.569143 0.750629 O\n0.170518 0.429449 0.249708 O\n0.173018 0.430761 0.751394 O\n0.164611 0.925235 0.243649 O\n0.170783 0.930647 0.750334 O\n0.671040 0.431201 0.249948 O\n0.671017 0.429797 0.756409 O\n0.671524 0.928749 0.249987 O\n0.671981 0.929958 0.750366 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sm",
"density": 5.875085416487882,
"density_atomic": 0.06760606191018143,
"volume": 2129.986512027758,
"volume_molar": 8.907693466897635,
"formula_full": "La28 Sm4 Mn24 Fe8 O80",
"formula_reduced": "La7SmMn6(FeO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1254.93535104,
"energy_per_atom": -8.714828826666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1141.89535104,
"band_gap": 0.1420000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 151.5505507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.966000Z",
"spacegroup": 1
},
{
"id": "mp-1076181",
"created_at": "2022-09-04T14:45:20.391663Z",
"structure_string": "Ba4 Sr28 Mn8 Fe24 O80\n1.0\n0.019883 0.015934 11.273754\n11.457934 -0.009571 0.020497\n-5.751924 16.002973 -5.624938\nBa Sr Mn Fe O\n4 28 8 24 80\ndirect\n0.309045 0.062029 0.116004 Ba\n0.307677 0.561073 0.113529 Ba\n0.808118 0.063052 0.114955 Ba\n0.055778 0.802610 0.113510 Ba\n0.307304 0.060318 0.608925 Sr\n0.306730 0.558849 0.607620 Sr\n0.805684 0.061206 0.608231 Sr\n0.805736 0.561221 0.108676 Sr\n0.807121 0.559153 0.607532 Sr\n0.197660 0.437842 0.391827 Sr\n0.199299 0.439676 0.890640 Sr\n0.197543 0.937597 0.393736 Sr\n0.198802 0.940187 0.890486 Sr\n0.696774 0.437056 0.391162 Sr\n0.697978 0.438141 0.889517 Sr\n0.699142 0.938920 0.391985 Sr\n0.697633 0.939291 0.891601 Sr\n0.055182 0.297499 0.107927 Sr\n0.057308 0.298515 0.608138 Sr\n0.056520 0.798546 0.607927 Sr\n0.554618 0.296938 0.107802 Sr\n0.558363 0.298481 0.609020 Sr\n0.558704 0.795951 0.108139 Sr\n0.556702 0.796290 0.607458 Sr\n0.447313 0.203114 0.393459 Sr\n0.448881 0.200871 0.889815 Sr\n0.448238 0.705889 0.395030 Sr\n0.448347 0.699733 0.890418 Sr\n0.948533 0.206300 0.393485 Sr\n0.946109 0.201973 0.889534 Sr\n0.947547 0.704569 0.392734 Sr\n0.948093 0.699488 0.890230 Sr\n0.111787 0.093610 0.748849 Mn\n0.111128 0.594697 0.748702 Mn\n0.610676 0.594946 0.748683 Mn\n0.361196 0.404696 0.749163 Mn\n0.367537 0.903874 0.254484 Mn\n0.360471 0.901352 0.748800 Mn\n0.861449 0.404306 0.748933 Mn\n0.859262 0.905787 0.748253 Mn\n0.998362 0.996900 0.991199 Fe\n0.003812 0.000376 0.501210 Fe\n0.999592 0.497002 0.995060 Fe\n0.003960 0.500917 0.501051 Fe\n0.499162 0.997029 0.993569 Fe\n0.503656 0.000940 0.499588 Fe\n0.501805 0.497731 0.995730 Fe\n0.503908 0.499407 0.500806 Fe\n0.250316 0.247147 0.994544 Fe\n0.253930 0.251088 0.500898 Fe\n0.250996 0.748442 0.994905 Fe\n0.254087 0.750818 0.501919 Fe\n0.752962 0.251020 0.998461 Fe\n0.754321 0.250842 0.500338 Fe\n0.748933 0.745527 0.993892 Fe\n0.754014 0.750783 0.500243 Fe\n0.114269 0.092967 0.255697 Fe\n0.105776 0.588640 0.251112 Fe\n0.615759 0.092870 0.253361 Fe\n0.610637 0.087546 0.749403 Fe\n0.613428 0.591817 0.252941 Fe\n0.360148 0.410739 0.252885 Fe\n0.858307 0.411967 0.250402 Fe\n0.859672 0.905119 0.253005 Fe\n0.123954 0.122483 0.492812 O\n0.121711 0.123180 0.991501 O\n0.123931 0.622128 0.492437 O\n0.122096 0.620831 0.989594 O\n0.624800 0.123220 0.492729 O\n0.621755 0.123592 0.990118 O\n0.623732 0.622174 0.492393 O\n0.623364 0.621514 0.992443 O\n0.126810 0.373650 0.002472 O\n0.131285 0.377902 0.507249 O\n0.125583 0.875073 0.998972 O\n0.131920 0.877205 0.507483 O\n0.630639 0.377702 0.005729 O\n0.631854 0.377546 0.507035 O\n0.626554 0.874189 0.003477 O\n0.631130 0.878267 0.507346 O\n0.375014 0.121774 0.495112 O\n0.373738 0.120248 0.990939 O\n0.373986 0.620343 0.492424 O\n0.374982 0.621175 0.992609 O\n0.874185 0.120489 0.492758 O\n0.873229 0.121353 0.990297 O\n0.873649 0.620166 0.492510 O\n0.870398 0.617390 0.990253 O\n0.381157 0.375984 0.002954 O\n0.381998 0.380754 0.508256 O\n0.380128 0.875841 0.001870 O\n0.382808 0.881439 0.509509 O\n0.879979 0.378817 0.005328 O\n0.882029 0.380670 0.507531 O\n0.875892 0.876254 0.999962 O\n0.881532 0.880354 0.508013 O\n0.077180 0.096186 0.145417 O\n0.075036 0.084844 0.634926 O\n0.072550 0.584615 0.139839 O\n0.074539 0.584877 0.635088 O\n0.577188 0.098206 0.143475 O\n0.584556 0.095608 0.641114 O\n0.582503 0.595778 0.143479 O\n0.574729 0.584912 0.635067 O\n0.440220 0.401276 0.360286 O\n0.439457 0.415939 0.863529 O\n0.441162 0.912335 0.366937 O\n0.438582 0.914855 0.863215 O\n0.941164 0.404759 0.358519 O\n0.938247 0.414801 0.862897 O\n0.939686 0.902085 0.361922 O\n0.936622 0.916495 0.861907 O\n0.332490 0.308457 0.140766 O\n0.324040 0.301139 0.635702 O\n0.327292 0.813425 0.138242 O\n0.323538 0.798956 0.634656 O\n0.830722 0.306144 0.138668 O\n0.825672 0.301395 0.635197 O\n0.823821 0.796628 0.141121 O\n0.823067 0.801046 0.635010 O\n0.194801 0.209394 0.362958 O\n0.189607 0.198419 0.863163 O\n0.191921 0.704115 0.358805 O\n0.190013 0.697365 0.862484 O\n0.698371 0.207253 0.361518 O\n0.691669 0.204091 0.858343 O\n0.695387 0.706938 0.361218 O\n0.686487 0.697147 0.863041 O\n0.456710 0.054258 0.261605 O\n0.442172 0.057842 0.749040 O\n0.447863 0.561813 0.260657 O\n0.442092 0.560904 0.748646 O\n0.949017 0.054252 0.259847 O\n0.940392 0.058778 0.748779 O\n0.935083 0.564001 0.252282 O\n0.942952 0.561230 0.749003 O\n0.187573 0.439093 0.250945 O\n0.192593 0.437763 0.749356 O\n0.198672 0.947449 0.259317 O\n0.190381 0.934953 0.748968 O\n0.687265 0.438075 0.250427 O\n0.693700 0.440378 0.749264 O\n0.689880 0.939702 0.250670 O\n0.683712 0.933043 0.749428 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Mn-O-Sr",
"density": 4.868942442532914,
"density_atomic": 0.0696471155909867,
"volume": 2067.5658823498443,
"volume_molar": 8.646647759780809,
"formula_full": "Ba4 Sr28 Mn8 Fe24 O80",
"formula_reduced": "BaSr7Mn2(Fe3O10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1070.67412988,
"energy_per_atom": -7.435237013055556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -948.22612988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 151.6630153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.704000Z",
"spacegroup": 1
},
{
"id": "mp-1076092",
"created_at": "2022-09-04T14:41:14.221428Z",
"structure_string": "Sr28 Ca4 Mn8 Fe24 O80\n1.0\n0.020827 -0.012678 11.174037\n11.398426 0.005628 0.021619\n-5.701988 15.773821 -5.615495\nSr Ca Mn Fe O\n28 4 8 24 80\ndirect\n0.307210 0.059812 0.608627 Sr\n0.307044 0.559287 0.607931 Sr\n0.806217 0.061079 0.608687 Sr\n0.805966 0.564628 0.109413 Sr\n0.807228 0.559483 0.608177 Sr\n0.196009 0.435101 0.389721 Sr\n0.198999 0.441091 0.892801 Sr\n0.196333 0.937043 0.389300 Sr\n0.199086 0.940818 0.893117 Sr\n0.696576 0.436361 0.390522 Sr\n0.699839 0.440628 0.892059 Sr\n0.698274 0.938020 0.390901 Sr\n0.700381 0.938763 0.893900 Sr\n0.057200 0.294792 0.110321 Sr\n0.057036 0.298242 0.607886 Sr\n0.056976 0.798551 0.608207 Sr\n0.556153 0.294920 0.109864 Sr\n0.557841 0.298465 0.608551 Sr\n0.556263 0.797110 0.109472 Sr\n0.556411 0.796114 0.607165 Sr\n0.445353 0.200406 0.387299 Sr\n0.448352 0.201067 0.892018 Sr\n0.445381 0.703061 0.389324 Sr\n0.448986 0.702227 0.892879 Sr\n0.946000 0.202355 0.388578 Sr\n0.948375 0.202276 0.892523 Sr\n0.946307 0.704002 0.389801 Sr\n0.950109 0.702662 0.893250 Sr\n0.303026 0.064396 0.106248 Ca\n0.302234 0.565661 0.104148 Ca\n0.803347 0.065755 0.105707 Ca\n0.055658 0.789320 0.106081 Ca\n0.112424 0.095913 0.750694 Mn\n0.111486 0.597303 0.750692 Mn\n0.611877 0.597651 0.750731 Mn\n0.361224 0.403998 0.750554 Mn\n0.354506 0.901286 0.246441 Mn\n0.361424 0.900640 0.750638 Mn\n0.862187 0.403972 0.750686 Mn\n0.861302 0.904589 0.750752 Mn\n0.007194 0.001775 0.005366 Fe\n0.004376 0.000643 0.500228 Fe\n0.006568 0.502053 0.003016 Fe\n0.003930 0.499995 0.499837 Fe\n0.506175 0.001742 0.003208 Fe\n0.503315 0.001184 0.498993 Fe\n0.504554 0.501079 0.002014 Fe\n0.503728 0.499354 0.499576 Fe\n0.255404 0.251264 0.002562 Fe\n0.254100 0.249589 0.500231 Fe\n0.255111 0.753006 0.003769 Fe\n0.253989 0.750127 0.499989 Fe\n0.755583 0.250826 0.001814 Fe\n0.753827 0.250019 0.499876 Fe\n0.757492 0.752859 0.004178 Fe\n0.753569 0.750225 0.500054 Fe\n0.104286 0.082923 0.245843 Fe\n0.108929 0.592677 0.249123 Fe\n0.606540 0.089229 0.247624 Fe\n0.610431 0.088445 0.750405 Fe\n0.603529 0.590164 0.248018 Fe\n0.356357 0.409395 0.247489 Fe\n0.857347 0.407390 0.249296 Fe\n0.857779 0.911331 0.247720 Fe\n0.123685 0.121907 0.491476 O\n0.127092 0.122638 0.994993 O\n0.123498 0.621518 0.491225 O\n0.126565 0.623930 0.995724 O\n0.623964 0.122536 0.491336 O\n0.627044 0.122598 0.993363 O\n0.623280 0.622015 0.491400 O\n0.625087 0.623963 0.993666 O\n0.137403 0.383223 0.013564 O\n0.131557 0.376747 0.506107 O\n0.134547 0.880602 0.013564 O\n0.131419 0.877119 0.506214 O\n0.632195 0.377303 0.008497 O\n0.631365 0.377342 0.506276 O\n0.636707 0.882092 0.011667 O\n0.630196 0.877756 0.505776 O\n0.374352 0.121346 0.493183 O\n0.375976 0.121258 0.995210 O\n0.373604 0.619640 0.490961 O\n0.374756 0.621183 0.995818 O\n0.873810 0.120108 0.491292 O\n0.874866 0.119993 0.994769 O\n0.873348 0.620110 0.491311 O\n0.878368 0.623359 0.995309 O\n0.382151 0.384502 0.012703 O\n0.380623 0.378451 0.505036 O\n0.382256 0.884594 0.011781 O\n0.382866 0.880444 0.507658 O\n0.884278 0.381497 0.010927 O\n0.881380 0.379139 0.506086 O\n0.886553 0.883496 0.014799 O\n0.880970 0.879127 0.505838 O\n0.088610 0.096594 0.139918 O\n0.075696 0.085885 0.635408 O\n0.086332 0.603701 0.141186 O\n0.075409 0.585817 0.635721 O\n0.589174 0.094981 0.139332 O\n0.583980 0.095344 0.640671 O\n0.583710 0.596634 0.139805 O\n0.575166 0.585593 0.635578 O\n0.441446 0.406320 0.357630 O\n0.439176 0.414395 0.865727 O\n0.435087 0.917287 0.361762 O\n0.440341 0.913636 0.866029 O\n0.940853 0.404573 0.359317 O\n0.942013 0.414929 0.865948 O\n0.941250 0.907008 0.357869 O\n0.939632 0.914087 0.865652 O\n0.332764 0.284014 0.142006 O\n0.325331 0.300270 0.635856 O\n0.325649 0.790040 0.136074 O\n0.324824 0.798669 0.635257 O\n0.831603 0.287067 0.141079 O\n0.826619 0.300528 0.635844 O\n0.834940 0.792692 0.140161 O\n0.824441 0.800480 0.635749 O\n0.188704 0.197735 0.356040 O\n0.190932 0.202072 0.866402 O\n0.191946 0.705072 0.359496 O\n0.190008 0.701119 0.865903 O\n0.687910 0.203135 0.357943 O\n0.694383 0.205432 0.860463 O\n0.685945 0.703996 0.357915 O\n0.691616 0.701669 0.865726 O\n0.432903 0.052083 0.240473 O\n0.441695 0.059568 0.750624 O\n0.426427 0.560566 0.240839 O\n0.441994 0.562229 0.750872 O\n0.927629 0.062218 0.241541 O\n0.940046 0.059742 0.750739 O\n0.937501 0.557320 0.248544 O\n0.942159 0.562387 0.750794 O\n0.185899 0.440569 0.249237 O\n0.191663 0.438789 0.750463 O\n0.173067 0.925532 0.241832 O\n0.190348 0.936515 0.750735 O\n0.685753 0.440623 0.249596 O\n0.693013 0.440758 0.750526 O\n0.686228 0.938719 0.249734 O\n0.683714 0.933928 0.750559 O\n",
"nsites": 144,
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"elements": [
"Sr",
"Ca",
"Mn",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-Mn-O-Sr",
"density": 4.690298681677042,
"density_atomic": 0.07169186034628793,
"volume": 2008.5962242358808,
"volume_molar": 8.400034161356249,
"formula_full": "Sr28 Ca4 Mn8 Fe24 O80",
"formula_reduced": "Sr7CaMn2(Fe3O10)2",
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"energy": -1073.62430806,
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"updated_at": "2021-11-28T01:35:27.529000Z",
"spacegroup": 1
},
{
"id": "mp-1076444",
"created_at": "2022-09-04T14:40:33.952208Z",
"structure_string": "Sr16 Ca16 Mn8 Fe24 O80\n1.0\n0.018247 -0.008336 11.060610\n11.326380 -0.000759 0.018752\n-5.673370 15.511794 -5.551312\nSr Ca Mn Fe O\n16 16 8 24 80\ndirect\n0.307394 0.559993 0.610041 Sr\n0.806418 0.060307 0.608754 Sr\n0.809272 0.559657 0.609963 Sr\n0.193227 0.432766 0.385636 Sr\n0.199618 0.441501 0.893433 Sr\n0.693495 0.433310 0.385558 Sr\n0.695709 0.934419 0.386174 Sr\n0.701331 0.937904 0.894867 Sr\n0.059243 0.297847 0.609291 Sr\n0.058271 0.800554 0.609124 Sr\n0.559024 0.300168 0.610663 Sr\n0.556837 0.796099 0.607874 Sr\n0.442942 0.198805 0.385092 Sr\n0.449067 0.201908 0.890937 Sr\n0.944746 0.201589 0.385939 Sr\n0.948365 0.203131 0.892513 Sr\n0.302713 0.066281 0.107647 Ca\n0.304228 0.060101 0.603534 Ca\n0.300607 0.568646 0.106991 Ca\n0.801867 0.068714 0.106996 Ca\n0.802439 0.567604 0.107713 Ca\n0.197932 0.930981 0.391065 Ca\n0.203191 0.938797 0.898880 Ca\n0.702840 0.439271 0.897472 Ca\n0.053077 0.287858 0.107428 Ca\n0.053826 0.789554 0.107109 Ca\n0.550093 0.288515 0.105585 Ca\n0.552828 0.789596 0.104292 Ca\n0.443030 0.709811 0.392008 Ca\n0.450472 0.708353 0.897182 Ca\n0.944799 0.710056 0.390817 Ca\n0.951872 0.708850 0.898605 Ca\n0.118175 0.094423 0.753443 Mn\n0.114348 0.603878 0.753800 Mn\n0.613054 0.598585 0.755358 Mn\n0.366638 0.405237 0.753510 Mn\n0.352463 0.896660 0.246766 Mn\n0.359851 0.898427 0.752098 Mn\n0.862009 0.410303 0.756002 Mn\n0.865246 0.900911 0.752010 Mn\n0.007961 0.001306 0.004608 Fe\n0.004724 0.998865 0.497892 Fe\n0.006580 0.502646 0.005096 Fe\n0.001352 0.499871 0.496817 Fe\n0.506870 0.001584 0.004125 Fe\n0.502071 0.000510 0.498377 Fe\n0.507060 0.502305 0.004150 Fe\n0.500905 0.498064 0.496229 Fe\n0.256903 0.252758 0.005016 Fe\n0.252744 0.247644 0.498228 Fe\n0.255844 0.753212 0.002801 Fe\n0.251750 0.748619 0.496976 Fe\n0.758541 0.255897 0.007463 Fe\n0.752567 0.249703 0.498334 Fe\n0.757704 0.750647 0.003785 Fe\n0.751147 0.746764 0.495283 Fe\n0.103648 0.080065 0.245811 Fe\n0.102939 0.594108 0.246881 Fe\n0.604428 0.084084 0.243532 Fe\n0.606900 0.091370 0.750123 Fe\n0.601145 0.590022 0.245406 Fe\n0.351725 0.413134 0.245589 Fe\n0.852160 0.412931 0.245921 Fe\n0.856115 0.902310 0.244024 Fe\n0.125209 0.116165 0.487951 O\n0.128703 0.121296 0.994303 O\n0.118087 0.622262 0.484671 O\n0.123321 0.625405 0.991860 O\n0.623105 0.121750 0.489847 O\n0.627537 0.125825 0.994525 O\n0.618760 0.621652 0.486494 O\n0.625599 0.621992 0.990798 O\n0.138904 0.383839 0.020619 O\n0.130362 0.376045 0.504975 O\n0.136597 0.881310 0.013932 O\n0.133017 0.877316 0.502326 O\n0.639247 0.384382 0.018031 O\n0.630013 0.376787 0.503727 O\n0.637012 0.879725 0.016869 O\n0.626929 0.873420 0.501027 O\n0.370303 0.115833 0.490732 O\n0.374511 0.117684 0.992974 O\n0.373118 0.620834 0.486888 O\n0.378959 0.624360 0.994482 O\n0.874802 0.118970 0.491438 O\n0.877691 0.122107 0.995389 O\n0.872610 0.619930 0.487191 O\n0.875191 0.618294 0.990505 O\n0.388399 0.387740 0.019379 O\n0.379481 0.378126 0.504151 O\n0.387654 0.885608 0.016004 O\n0.381199 0.882743 0.508563 O\n0.886777 0.387944 0.018560 O\n0.879783 0.378438 0.503724 O\n0.889630 0.884098 0.017715 O\n0.881711 0.876382 0.502323 O\n0.095439 0.103500 0.142266 O\n0.084625 0.080309 0.634889 O\n0.089158 0.609061 0.140578 O\n0.070969 0.586369 0.634654 O\n0.592467 0.107312 0.139934 O\n0.586311 0.094133 0.638705 O\n0.588281 0.610367 0.140802 O\n0.573614 0.582670 0.636660 O\n0.435625 0.403255 0.355403 O\n0.445912 0.411215 0.869337 O\n0.434449 0.909954 0.362384 O\n0.447525 0.907430 0.867801 O\n0.936097 0.403638 0.355614 O\n0.945321 0.410451 0.869091 O\n0.941702 0.898512 0.355795 O\n0.945458 0.906434 0.867991 O\n0.343588 0.285015 0.142698 O\n0.326517 0.294887 0.635708 O\n0.325836 0.787313 0.135331 O\n0.318449 0.795166 0.634507 O\n0.844033 0.286610 0.142112 O\n0.826098 0.307085 0.637796 O\n0.841315 0.779455 0.138304 O\n0.822268 0.799552 0.633593 O\n0.187563 0.199058 0.356033 O\n0.194000 0.209315 0.869201 O\n0.198403 0.709426 0.356755 O\n0.201662 0.712995 0.868678 O\n0.688319 0.197605 0.355915 O\n0.690383 0.215496 0.860493 O\n0.695361 0.700865 0.356175 O\n0.700750 0.707380 0.868538 O\n0.431308 0.047839 0.239594 O\n0.431666 0.058992 0.743207 O\n0.424597 0.572019 0.247644 O\n0.440597 0.576193 0.759857 O\n0.924792 0.056086 0.238810 O\n0.941741 0.057207 0.751114 O\n0.927095 0.570441 0.248296 O\n0.941311 0.574584 0.761348 O\n0.173555 0.434474 0.239641 O\n0.192422 0.443841 0.751954 O\n0.171221 0.922546 0.247753 O\n0.190633 0.930875 0.760924 O\n0.672529 0.431190 0.238089 O\n0.688541 0.438413 0.760111 O\n0.678571 0.927499 0.238687 O\n0.683361 0.937913 0.752622 O\n",
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],
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"formula_full": "Sr16 Ca16 Mn8 Fe24 O80",
"formula_reduced": "Sr2Ca2MnFe3O10",
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},
{
"id": "mp-1097708",
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],
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"formula_full": "Fe65 B6 N6",
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"updated_at": "2021-11-28T01:38:38.404000Z",
"spacegroup": 6
}
]
}