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{
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"results": [
{
"id": "mp-1099862",
"created_at": "2022-09-04T14:43:53.170464Z",
"structure_string": "Ba4 Sr28 Fe24 Co8 O80\n1.0\n-0.027762 0.012774 11.080033\n11.463326 -0.008051 -0.028594\n-5.728910 16.086266 -5.508440\nBa Sr Fe Co O\n4 28 24 8 80\ndirect\n0.308674 0.062931 0.114778 Ba\n0.309727 0.561759 0.113579 Ba\n0.808251 0.061211 0.114240 Ba\n0.056132 0.799771 0.113736 Ba\n0.309328 0.062993 0.608184 Sr\n0.305781 0.564062 0.608885 Sr\n0.802527 0.062276 0.608239 Sr\n0.806797 0.563298 0.109200 Sr\n0.805869 0.564099 0.608919 Sr\n0.198372 0.438014 0.391960 Sr\n0.197954 0.436193 0.889193 Sr\n0.202870 0.937482 0.394471 Sr\n0.199515 0.935755 0.888818 Sr\n0.697116 0.436595 0.391357 Sr\n0.696420 0.435478 0.888468 Sr\n0.695376 0.938681 0.393145 Sr\n0.692153 0.933350 0.888323 Sr\n0.056997 0.295534 0.108726 Sr\n0.055613 0.293963 0.609248 Sr\n0.055326 0.796535 0.609133 Sr\n0.556407 0.297719 0.108125 Sr\n0.556346 0.290843 0.608204 Sr\n0.558495 0.794051 0.109431 Sr\n0.557059 0.798138 0.608884 Sr\n0.448041 0.204805 0.395279 Sr\n0.450262 0.207859 0.888682 Sr\n0.448032 0.707810 0.394615 Sr\n0.447216 0.704367 0.888535 Sr\n0.949549 0.206881 0.393929 Sr\n0.944238 0.205771 0.887638 Sr\n0.949117 0.704317 0.392798 Sr\n0.942390 0.699233 0.888056 Sr\n0.003654 0.998988 0.499285 Fe\n0.004702 0.500779 0.501284 Fe\n0.504869 0.500511 0.501483 Fe\n0.251519 0.246997 0.992132 Fe\n0.255892 0.249553 0.500854 Fe\n0.256473 0.752305 0.501968 Fe\n0.752959 0.248484 0.499688 Fe\n0.752544 0.751062 0.498777 Fe\n0.114889 0.097201 0.258918 Fe\n0.107156 0.089840 0.748065 Fe\n0.106111 0.588955 0.252420 Fe\n0.106715 0.588787 0.747764 Fe\n0.614832 0.095106 0.256009 Fe\n0.606432 0.088825 0.747153 Fe\n0.615074 0.593129 0.255250 Fe\n0.605196 0.587699 0.746204 Fe\n0.360567 0.410208 0.253801 Fe\n0.356364 0.408101 0.746580 Fe\n0.368212 0.913480 0.258543 Fe\n0.356208 0.909100 0.747201 Fe\n0.858648 0.411707 0.251430 Fe\n0.855778 0.407374 0.746761 Fe\n0.859204 0.907242 0.256338 Fe\n0.856421 0.908898 0.747625 Fe\n0.998177 0.994526 0.985266 Co\n0.001128 0.495827 0.996201 Co\n0.500045 0.997591 0.993320 Co\n0.504824 0.999152 0.500013 Co\n0.503620 0.498358 0.995572 Co\n0.252715 0.741495 0.989294 Co\n0.751418 0.253416 0.998562 Co\n0.746825 0.744175 0.991730 Co\n0.125372 0.122803 0.493214 O\n0.124006 0.124040 0.987683 O\n0.124889 0.622414 0.493157 O\n0.129663 0.630322 0.988301 O\n0.623581 0.121181 0.493297 O\n0.632749 0.132187 0.989898 O\n0.625169 0.622278 0.492514 O\n0.628745 0.627446 0.990961 O\n0.127730 0.371890 0.001135 O\n0.132102 0.379510 0.509036 O\n0.114535 0.884777 0.999255 O\n0.133567 0.877380 0.508835 O\n0.629915 0.384977 0.006827 O\n0.633273 0.377954 0.508772 O\n0.623954 0.874390 0.003027 O\n0.631251 0.878949 0.508653 O\n0.377073 0.118504 0.493582 O\n0.375017 0.121635 0.989034 O\n0.374664 0.620450 0.493118 O\n0.379613 0.615037 0.988386 O\n0.875173 0.120346 0.493654 O\n0.881954 0.106361 0.988232 O\n0.875605 0.619544 0.493456 O\n0.870381 0.612026 0.987295 O\n0.380213 0.374257 0.001334 O\n0.383748 0.381980 0.510644 O\n0.369612 0.867786 0.001846 O\n0.384476 0.881317 0.508794 O\n0.874875 0.366253 0.003286 O\n0.883723 0.381962 0.509422 O\n0.866762 0.864451 0.999191 O\n0.883133 0.880873 0.510253 O\n0.084732 0.106817 0.153001 O\n0.082148 0.093297 0.639691 O\n0.074351 0.587032 0.143041 O\n0.080968 0.594649 0.639385 O\n0.583077 0.106305 0.149664 O\n0.577655 0.088378 0.636674 O\n0.589952 0.602207 0.149091 O\n0.580274 0.594374 0.638012 O\n0.440677 0.403579 0.362462 O\n0.441624 0.400630 0.852301 O\n0.445608 0.910159 0.368665 O\n0.439376 0.901030 0.853580 O\n0.942253 0.406426 0.360418 O\n0.939456 0.400627 0.852770 O\n0.941481 0.905797 0.366070 O\n0.938707 0.900472 0.854754 O\n0.334183 0.308077 0.142420 O\n0.329631 0.295242 0.637572 O\n0.342265 0.807222 0.149890 O\n0.329915 0.796561 0.637825 O\n0.834873 0.305482 0.141534 O\n0.829423 0.294252 0.637997 O\n0.829234 0.796300 0.147980 O\n0.829574 0.795983 0.639172 O\n0.196110 0.210649 0.367926 O\n0.191283 0.202819 0.856617 O\n0.192052 0.703942 0.360810 O\n0.190664 0.703127 0.855690 O\n0.699121 0.206877 0.365920 O\n0.689480 0.204056 0.853396 O\n0.697570 0.706562 0.365266 O\n0.687499 0.701988 0.853833 O\n0.447682 0.065280 0.262317 O\n0.433571 0.061181 0.748225 O\n0.446026 0.562658 0.261085 O\n0.432304 0.561159 0.747310 O\n0.945853 0.057136 0.260797 O\n0.933543 0.060740 0.748218 O\n0.932109 0.565842 0.253133 O\n0.933342 0.560339 0.747675 O\n0.185564 0.438301 0.251617 O\n0.183181 0.437747 0.748171 O\n0.199045 0.950517 0.260399 O\n0.183328 0.938130 0.748541 O\n0.685400 0.437765 0.251643 O\n0.682210 0.437183 0.747313 O\n0.686127 0.940783 0.252857 O\n0.683856 0.938399 0.748909 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Fe",
"Co",
"O"
],
"chemical_system": "Ba-Co-Fe-O-Sr",
"density": 4.9523390068172795,
"density_atomic": 0.07046853773711288,
"volume": 2043.4651352806648,
"volume_molar": 8.545857418619866,
"formula_full": "Ba4 Sr28 Fe24 Co8 O80",
"formula_reduced": "BaSr7Fe6(CoO10)2",
"formula_anonymous": "AB2C6D7E20",
"energy": -1040.23679031,
"energy_per_atom": -7.223866599375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -918.02879031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 141.0509266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.917000Z",
"spacegroup": 1
},
{
"id": "mp-1227244",
"created_at": "2022-09-04T14:45:57.057703Z",
"structure_string": "Fe74 W13\n1.0\n-4.436189 -4.436851 4.436851\n-4.436189 4.436851 -4.436851\n-4.436189 -13.309531 -13.309531\nFe W\n74 13\ndirect\n0.709254 0.523411 0.333200 Fe\n0.042006 0.856885 0.666667 Fe\n0.375789 0.189945 0.000133 Fe\n0.645416 0.269873 0.270028 Fe\n0.979448 0.603490 0.603278 Fe\n0.311958 0.936788 0.936982 Fe\n0.248778 0.873235 0.063305 Fe\n0.582273 0.207103 0.396351 Fe\n0.916058 0.540101 0.730056 Fe\n0.523411 0.709254 0.333200 Fe\n0.856885 0.042006 0.666667 Fe\n0.189945 0.375789 0.000133 Fe\n0.873235 0.248778 0.063305 Fe\n0.207103 0.582273 0.396351 Fe\n0.540101 0.916058 0.730056 Fe\n0.269873 0.645416 0.270028 Fe\n0.603490 0.979448 0.603278 Fe\n0.936788 0.311958 0.936982 Fe\n0.686544 0.686544 0.061799 Fe\n0.019631 0.019631 0.394925 Fe\n0.353011 0.353011 0.728683 Fe\n0.749573 0.939435 0.125172 Fe\n0.083175 0.273069 0.458456 Fe\n0.415706 0.605870 0.791879 Fe\n0.939435 0.749573 0.125172 Fe\n0.273069 0.083175 0.458456 Fe\n0.605870 0.415706 0.791879 Fe\n0.081677 0.081677 0.271534 Fe\n0.415026 0.415026 0.604650 Fe\n0.747890 0.747890 0.938409 Fe\n0.397941 0.208079 0.208161 Fe\n0.731082 0.540917 0.541454 Fe\n0.064859 0.874964 0.874878 Fe\n0.208079 0.397941 0.208161 Fe\n0.540917 0.731082 0.541454 Fe\n0.874964 0.064859 0.874878 Fe\n0.999984 0.999984 0.000094 Fe\n0.333411 0.333411 0.333239 Fe\n0.735367 0.011294 0.333284 Fe\n0.067130 0.343648 0.666667 Fe\n0.401984 0.677912 0.000049 Fe\n0.509244 0.107382 0.107194 Fe\n0.842971 0.440858 0.440801 Fe\n0.175561 0.774633 0.774042 Fe\n0.949771 0.547909 0.226140 Fe\n0.282938 0.882010 0.559291 Fe\n0.617105 0.214992 0.892532 Fe\n0.011294 0.735367 0.333284 Fe\n0.343648 0.067130 0.666667 Fe\n0.677912 0.401984 0.000049 Fe\n0.547909 0.949771 0.226140 Fe\n0.882010 0.282938 0.559291 Fe\n0.214992 0.617105 0.892532 Fe\n0.107382 0.509244 0.107194 Fe\n0.440858 0.842971 0.440801 Fe\n0.774633 0.175561 0.774042 Fe\n0.839261 0.839261 0.241318 Fe\n0.173080 0.173080 0.575677 Fe\n0.505960 0.505960 0.907470 Fe\n0.731975 0.410203 0.134002 Fe\n0.065680 0.742378 0.467346 Fe\n0.398797 0.077387 0.800472 Fe\n0.410203 0.731975 0.134002 Fe\n0.742378 0.065680 0.467346 Fe\n0.077387 0.398797 0.800472 Fe\n0.413913 0.413913 0.092015 Fe\n0.746763 0.746763 0.425863 Fe\n0.082090 0.082090 0.757657 Fe\n0.877537 0.199310 0.199332 Fe\n0.211193 0.532604 0.532861 Fe\n0.543057 0.866359 0.865987 Fe\n0.199310 0.877537 0.199332 Fe\n0.532604 0.211193 0.532861 Fe\n0.866359 0.543057 0.865987 Fe\n0.966227 0.333497 0.333134 W\n0.294902 0.666626 0.666667 W\n0.632695 0.999965 0.000199 W\n0.999965 0.632695 0.000199 W\n0.333497 0.966227 0.333134 W\n0.666626 0.294902 0.666667 W\n0.577956 0.577956 0.211155 W\n0.914596 0.914596 0.542510 W\n0.244201 0.244201 0.877963 W\n0.122445 0.122445 0.122178 W\n0.455497 0.455497 0.455370 W\n0.790438 0.790438 0.790824 W\n0.667049 0.667049 0.666667 W\n",
"nsites": 87,
"nelements": 2,
"elements": [
"Fe",
"W"
],
"chemical_system": "Fe-W",
"density": 10.335993502572416,
"density_atomic": 0.08302552380769325,
"volume": 1047.870534385457,
"volume_molar": 7.25336075439729,
"formula_full": "Fe74 W13",
"formula_reduced": "Fe74W13",
"formula_anonymous": "A13B74",
"energy": -790.0235483500002,
"energy_per_atom": -9.080730440804599,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -790.0235483500002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 140.6660947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.411000Z",
"spacegroup": 42
},
{
"id": "mp-1201493",
"created_at": "2022-09-04T14:46:17.741646Z",
"structure_string": "Rb44 Mn32 O64\n1.0\n0.000000 10.173624 22.796129\n6.220141 0.000000 22.796129\n6.220141 10.173624 0.000000\nRb Mn O\n44 32 64\ndirect\n0.677004 0.322996 0.677004 Rb\n0.322996 0.677004 0.322996 Rb\n0.591681 0.908319 0.591681 Rb\n0.908319 0.591681 0.908319 Rb\n0.383752 0.073081 0.940459 Rb\n0.073081 0.383752 0.602709 Rb\n0.602709 0.940459 0.073081 Rb\n0.940459 0.602709 0.383752 Rb\n0.085530 0.775642 0.735112 Rb\n0.775642 0.085530 0.403716 Rb\n0.403716 0.735112 0.775642 Rb\n0.735112 0.403716 0.085530 Rb\n0.557269 0.215776 0.271022 Rb\n0.215776 0.557269 0.955933 Rb\n0.955933 0.271022 0.215776 Rb\n0.271022 0.955933 0.557269 Rb\n0.124889 0.786224 0.204844 Rb\n0.786224 0.124889 0.884044 Rb\n0.884044 0.204844 0.786224 Rb\n0.204844 0.884044 0.124889 Rb\n0.460089 0.135775 0.372767 Rb\n0.135775 0.460089 0.031369 Rb\n0.031369 0.372767 0.135775 Rb\n0.372767 0.031369 0.460089 Rb\n0.024421 0.694475 0.312154 Rb\n0.694475 0.024421 0.968949 Rb\n0.968949 0.312154 0.694475 Rb\n0.312154 0.968949 0.024421 Rb\n0.499785 0.146100 0.849018 Rb\n0.146100 0.499785 0.505097 Rb\n0.505097 0.849018 0.146100 Rb\n0.849018 0.505097 0.499785 Rb\n0.650509 0.313760 0.192666 Rb\n0.313760 0.650509 0.843064 Rb\n0.843064 0.192666 0.313760 Rb\n0.192666 0.843064 0.650509 Rb\n0.566158 0.253756 0.751026 Rb\n0.253756 0.566158 0.429060 Rb\n0.429060 0.751026 0.253756 Rb\n0.751026 0.429060 0.566158 Rb\n0.660044 0.016274 0.487815 Rb\n0.016274 0.660044 0.835866 Rb\n0.835866 0.487815 0.016274 Rb\n0.487815 0.835866 0.660044 Rb\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.811818 0.811818 0.188182 Mn\n0.188182 0.188182 0.811818 Mn\n0.375238 0.375238 0.624762 Mn\n0.624762 0.624762 0.375238 Mn\n0.936662 0.936662 0.063338 Mn\n0.063338 0.063338 0.936662 Mn\n0.748974 0.748974 0.251026 Mn\n0.251026 0.251026 0.748974 Mn\n0.875073 0.875073 0.124927 Mn\n0.124927 0.124927 0.875073 Mn\n0.438226 0.438226 0.561774 Mn\n0.561774 0.561774 0.438226 Mn\n0.687187 0.687187 0.312813 Mn\n0.312813 0.312813 0.687187 Mn\n0.594827 0.594827 0.905173 Mn\n0.905173 0.905173 0.594827 Mn\n0.406917 0.406917 0.093083 Mn\n0.093083 0.093083 0.406917 Mn\n0.343885 0.343885 0.156115 Mn\n0.156115 0.156115 0.343885 Mn\n0.531677 0.531677 0.968323 Mn\n0.968323 0.968323 0.531677 Mn\n0.280561 0.280561 0.219439 Mn\n0.219439 0.219439 0.280561 Mn\n0.718427 0.718427 0.781573 Mn\n0.781573 0.781573 0.718427 Mn\n0.468870 0.468870 0.031130 Mn\n0.031130 0.031130 0.468870 Mn\n0.656545 0.656545 0.843455 Mn\n0.843455 0.843455 0.656545 Mn\n0.175623 0.324377 0.175623 O\n0.324377 0.175623 0.324377 O\n0.645359 0.854641 0.854641 O\n0.854641 0.645359 0.645359 O\n0.297431 0.516009 0.692787 O\n0.516009 0.297431 0.493773 O\n0.493773 0.692787 0.516009 O\n0.692787 0.493773 0.297431 O\n0.939842 0.054640 0.633844 O\n0.054640 0.939842 0.371675 O\n0.371675 0.633844 0.054640 O\n0.633844 0.371675 0.939842 O\n0.710339 0.971143 0.227045 O\n0.971143 0.710339 0.091473 O\n0.091473 0.227045 0.971143 O\n0.227045 0.091473 0.710339 O\n0.050702 0.823218 0.469434 O\n0.823218 0.050702 0.656646 O\n0.656646 0.469434 0.823218 O\n0.469434 0.656646 0.050702 O\n0.296959 0.395785 0.784897 O\n0.395785 0.296959 0.522359 O\n0.522359 0.784897 0.395785 O\n0.784897 0.522359 0.296959 O\n0.845668 0.774895 0.559961 O\n0.774895 0.845668 0.819476 O\n0.819476 0.559961 0.774895 O\n0.559961 0.819476 0.845668 O\n0.185903 0.444883 0.257900 O\n0.444883 0.185903 0.111314 O\n0.111314 0.257900 0.444883 O\n0.257900 0.111314 0.185903 O\n0.891338 0.049079 0.155809 O\n0.049079 0.891338 0.903774 O\n0.903774 0.155809 0.049079 O\n0.155809 0.903774 0.891338 O\n0.868161 0.692910 0.101922 O\n0.692910 0.868161 0.337006 O\n0.337006 0.101922 0.692910 O\n0.101922 0.337006 0.868161 O\n0.593833 0.340210 0.511344 O\n0.340210 0.593833 0.554613 O\n0.554613 0.511344 0.340210 O\n0.511344 0.554613 0.593833 O\n0.293819 0.457006 0.245317 O\n0.457006 0.293819 0.003858 O\n0.003858 0.245317 0.457006 O\n0.245317 0.003858 0.293819 O\n0.997653 0.755454 0.617220 O\n0.755454 0.997653 0.629673 O\n0.629673 0.617220 0.755454 O\n0.617220 0.629673 0.997653 O\n0.959879 0.853827 0.183258 O\n0.853827 0.959879 0.003036 O\n0.003036 0.183258 0.853827 O\n0.183258 0.003036 0.959879 O\n0.466402 0.405045 0.165504 O\n0.405045 0.466402 0.963048 O\n0.963048 0.165504 0.405045 O\n0.165504 0.963048 0.466402 O\n0.708243 0.732189 0.167220 O\n0.732189 0.708243 0.392347 O\n0.392347 0.167220 0.732189 O\n0.167220 0.392347 0.708243 O\n",
"nsites": 140,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 3.7655632461456925,
"density_atomic": 0.04852449471467601,
"volume": 2885.140810289729,
"volume_molar": 12.410517194275148,
"formula_full": "Rb44 Mn32 O64",
"formula_reduced": "Rb11Mn8O16",
"formula_anonymous": "A8B11C16",
"energy": -900.16196853,
"energy_per_atom": -6.4297283466428565,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -802.81796853,
"band_gap": 0.1485999999999996,
"is_gap_direct": true,
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"total_magnetization": 140.5399178,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.295000Z",
"spacegroup": 22
},
{
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},
{
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"structure_string": "Mg14 Fe28 O56\n1.0\n5.212599 0.003990 3.020774\n1.741659 4.916180 3.019897\n0.013508 0.002846 42.269902\nMg Fe O\n14 28 56\ndirect\n0.139628 0.125043 0.016166 Mg\n0.135038 0.119434 0.160637 Mg\n0.004329 0.497976 0.071509 Mg\n0.002813 0.499345 0.214031 Mg\n0.500556 0.001607 0.356771 Mg\n0.999879 0.500944 0.357009 Mg\n0.499262 0.999764 0.499840 Mg\n0.999758 0.499111 0.499865 Mg\n0.500633 0.999997 0.642839 Mg\n0.999979 0.500666 0.642832 Mg\n0.499969 0.999306 0.785975 Mg\n0.999388 0.500160 0.785930 Mg\n0.498088 0.998396 0.929301 Mg\n0.999770 0.498809 0.929026 Mg\n0.495895 0.496295 0.071100 Fe\n0.496075 0.006233 0.071321 Fe\n0.495889 0.500752 0.143289 Fe\n0.129611 0.129194 0.303718 Fe\n0.499606 0.501316 0.213309 Fe\n0.498864 0.501899 0.285690 Fe\n0.132590 0.132503 0.445253 Fe\n0.499547 0.007339 0.213007 Fe\n0.865965 0.880605 0.124593 Fe\n0.500195 0.500286 0.357280 Fe\n0.500379 0.501115 0.428364 Fe\n0.132845 0.132883 0.588325 Fe\n0.864194 0.877942 0.268309 Fe\n0.498771 0.498647 0.500145 Fe\n0.500420 0.500464 0.571246 Fe\n0.132414 0.132744 0.731109 Fe\n0.867239 0.867019 0.411675 Fe\n0.499897 0.499934 0.642846 Fe\n0.866927 0.866927 0.554226 Fe\n0.499986 0.499962 0.714295 Fe\n0.131945 0.132133 0.873998 Fe\n0.499067 0.499333 0.786070 Fe\n0.867542 0.867630 0.697248 Fe\n0.498861 0.497942 0.857785 Fe\n0.494738 0.494852 0.929495 Fe\n0.865978 0.866176 0.840778 Fe\n0.497364 0.496348 0.001363 Fe\n0.867058 0.868573 0.983593 Fe\n0.266693 0.250405 0.038052 O\n0.267228 0.253726 0.103788 O\n0.265464 0.718612 0.037825 O\n0.727239 0.250854 0.038669 O\n0.261475 0.742960 0.108062 O\n0.267235 0.254376 0.180322 O\n0.732591 0.743957 0.040553 O\n0.733288 0.272073 0.108006 O\n0.262448 0.252376 0.247716 O\n0.268054 0.714458 0.180524 O\n0.724533 0.256064 0.180633 O\n0.733161 0.742707 0.107947 O\n0.261683 0.265833 0.320532 O\n0.267513 0.745081 0.249359 O\n0.735382 0.272951 0.249907 O\n0.262115 0.261713 0.389325 O\n0.263777 0.733147 0.321353 O\n0.737807 0.744211 0.181897 O\n0.732308 0.268002 0.320809 O\n0.735554 0.746180 0.249351 O\n0.262202 0.262341 0.463681 O\n0.269120 0.740525 0.391645 O\n0.260676 0.260747 0.532377 O\n0.740162 0.269021 0.391659 O\n0.262849 0.733010 0.463962 O\n0.740134 0.742685 0.323744 O\n0.732801 0.263055 0.463929 O\n0.740879 0.741833 0.391940 O\n0.268739 0.739040 0.534396 O\n0.262904 0.263065 0.606675 O\n0.739025 0.268466 0.534419 O\n0.740395 0.740099 0.466699 O\n0.261698 0.261885 0.675153 O\n0.263409 0.733786 0.606844 O\n0.733516 0.263426 0.606862 O\n0.739909 0.739787 0.534879 O\n0.262106 0.262214 0.749618 O\n0.269488 0.739693 0.677313 O\n0.739695 0.269302 0.677320 O\n0.741503 0.741403 0.609345 O\n0.263039 0.263267 0.817785 O\n0.262319 0.733671 0.749823 O\n0.733264 0.262364 0.749852 O\n0.740074 0.739951 0.678035 O\n0.261400 0.261045 0.892278 O\n0.267530 0.738025 0.820989 O\n0.738245 0.267445 0.820939 O\n0.261364 0.735189 0.892666 O\n0.740371 0.740355 0.752480 O\n0.267107 0.266092 0.959286 O\n0.734897 0.260771 0.892722 O\n0.738195 0.737918 0.821824 O\n0.264396 0.734198 0.965673 O\n0.737660 0.265088 0.965046 O\n0.735814 0.736882 0.896593 O\n0.738612 0.735064 0.965757 O\n",
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"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.2942553950402695,
"density_atomic": 0.09051548567337567,
"volume": 1082.6876668776008,
"volume_molar": 6.653160743931533,
"formula_full": "Mg14 Fe28 O56",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:34:42.433000Z",
"spacegroup": 1
},
{
"id": "mp-1076455",
"created_at": "2022-09-04T14:42:22.733815Z",
"structure_string": "La28 Sm4 Mn12 Fe20 O80\n1.0\n-0.002377 -0.003236 11.044952\n11.847465 0.003164 -0.003334\n-5.918089 15.890748 -5.524840\nLa Sm Mn Fe O\n28 4 12 20 80\ndirect\n0.299783 0.063786 0.111609 La\n0.302604 0.064806 0.608476 La\n0.303446 0.565505 0.609391 La\n0.803397 0.065236 0.611049 La\n0.803853 0.566461 0.110024 La\n0.803586 0.565843 0.609783 La\n0.192467 0.433796 0.388725 La\n0.192230 0.434775 0.891797 La\n0.192489 0.933993 0.386472 La\n0.196631 0.935820 0.890728 La\n0.692949 0.433720 0.389595 La\n0.694605 0.934929 0.390176 La\n0.695102 0.935017 0.890279 La\n0.050444 0.294929 0.110658 La\n0.052583 0.294026 0.609675 La\n0.053293 0.794436 0.608823 La\n0.553035 0.292521 0.109742 La\n0.553691 0.294836 0.611155 La\n0.549931 0.795591 0.110142 La\n0.555719 0.793835 0.610877 La\n0.443149 0.203721 0.388888 La\n0.446091 0.206941 0.890062 La\n0.443005 0.705737 0.389721 La\n0.444518 0.705262 0.890121 La\n0.943116 0.204266 0.387250 La\n0.940490 0.204342 0.889713 La\n0.943846 0.705306 0.387869 La\n0.944672 0.706195 0.892639 La\n0.297999 0.567624 0.107836 Sm\n0.801482 0.066377 0.108939 Sm\n0.692467 0.433812 0.892458 Sm\n0.054077 0.794272 0.110973 Sm\n0.109005 0.097303 0.750815 Mn\n0.109577 0.596858 0.750563 Mn\n0.609957 0.095202 0.248991 Mn\n0.610505 0.097805 0.750289 Mn\n0.605556 0.596795 0.248007 Mn\n0.611497 0.596301 0.752021 Mn\n0.357067 0.405095 0.248194 Mn\n0.361290 0.402919 0.750678 Mn\n0.360862 0.903039 0.750123 Mn\n0.859574 0.402680 0.249123 Mn\n0.857963 0.403363 0.751863 Mn\n0.861207 0.903495 0.247016 Mn\n0.005728 0.999673 0.001871 Fe\n0.005592 0.999916 0.499289 Fe\n0.005177 0.500811 0.001385 Fe\n0.005516 0.499831 0.499711 Fe\n0.507147 0.000578 0.001080 Fe\n0.504907 0.000049 0.499473 Fe\n0.505947 0.501220 0.000880 Fe\n0.505423 0.499229 0.499469 Fe\n0.256426 0.251634 0.002120 Fe\n0.254914 0.249605 0.499492 Fe\n0.255417 0.751261 0.000923 Fe\n0.255584 0.749438 0.499256 Fe\n0.755269 0.249521 0.000482 Fe\n0.755609 0.250048 0.499929 Fe\n0.757562 0.750604 0.001389 Fe\n0.755112 0.749903 0.499018 Fe\n0.107975 0.099606 0.247752 Fe\n0.113621 0.603018 0.248429 Fe\n0.358351 0.895671 0.248681 Fe\n0.862949 0.897242 0.750905 Fe\n0.115610 0.116318 0.476954 O\n0.115030 0.116041 0.978229 O\n0.115940 0.617345 0.477486 O\n0.117132 0.619033 0.983669 O\n0.615116 0.117093 0.476932 O\n0.615755 0.116525 0.978233 O\n0.615646 0.617181 0.478198 O\n0.615575 0.614494 0.974986 O\n0.141290 0.386053 0.027060 O\n0.137681 0.382592 0.521922 O\n0.136234 0.879126 0.024631 O\n0.137011 0.882208 0.521401 O\n0.635843 0.380777 0.020308 O\n0.638400 0.383060 0.523053 O\n0.641815 0.884882 0.025610 O\n0.636050 0.881479 0.519640 O\n0.365265 0.110053 0.477646 O\n0.366093 0.112926 0.977433 O\n0.365332 0.608964 0.476266 O\n0.365801 0.613228 0.981119 O\n0.866012 0.111237 0.477586 O\n0.864534 0.110634 0.980344 O\n0.866611 0.612258 0.479402 O\n0.861616 0.606674 0.973763 O\n0.386584 0.396877 0.026331 O\n0.386818 0.387569 0.520195 O\n0.387355 0.892058 0.022207 O\n0.387054 0.886701 0.519726 O\n0.885198 0.389897 0.020255 O\n0.887532 0.390134 0.522509 O\n0.892028 0.892288 0.028512 O\n0.887158 0.890262 0.521488 O\n0.093706 0.115998 0.139803 O\n0.094668 0.116002 0.639367 O\n0.099436 0.617024 0.139730 O\n0.094171 0.616827 0.639518 O\n0.604681 0.115871 0.139777 O\n0.594191 0.115403 0.638324 O\n0.598467 0.618980 0.139145 O\n0.595205 0.614751 0.640081 O\n0.454217 0.383130 0.359153 O\n0.464201 0.385126 0.861097 O\n0.448605 0.885774 0.359592 O\n0.455058 0.883441 0.861438 O\n0.955007 0.384120 0.360775 O\n0.959057 0.383531 0.861974 O\n0.955617 0.884222 0.359177 O\n0.952794 0.886627 0.861544 O\n0.347038 0.269388 0.140350 O\n0.345648 0.273191 0.639064 O\n0.341987 0.773454 0.139891 O\n0.345747 0.773142 0.638727 O\n0.844001 0.270911 0.138679 O\n0.842845 0.273206 0.640159 O\n0.857402 0.770541 0.139261 O\n0.840714 0.776847 0.639808 O\n0.198717 0.221386 0.358542 O\n0.207538 0.228510 0.861517 O\n0.201065 0.724802 0.359393 O\n0.205288 0.727072 0.861908 O\n0.705181 0.226555 0.360287 O\n0.705804 0.228936 0.861373 O\n0.702715 0.726199 0.359885 O\n0.706836 0.729353 0.861800 O\n0.417645 0.068635 0.250082 O\n0.417411 0.073124 0.749745 O\n0.410325 0.574806 0.244665 O\n0.416837 0.573413 0.749859 O\n0.911393 0.073227 0.244694 O\n0.916420 0.070815 0.750645 O\n0.919297 0.571326 0.249317 O\n0.916225 0.573243 0.750980 O\n0.165038 0.429097 0.249770 O\n0.168353 0.427174 0.750885 O\n0.161609 0.925687 0.244655 O\n0.168000 0.926986 0.750197 O\n0.666197 0.428023 0.249734 O\n0.666437 0.426448 0.755744 O\n0.668933 0.925685 0.249826 O\n0.668118 0.928591 0.750104 O\n",
"nsites": 144,
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"elements": [
"La",
"Sm",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-La-Mn-O-Sm",
"density": 6.026778883619661,
"density_atomic": 0.06925162351312703,
"volume": 2079.3736333517727,
"volume_molar": 8.696028272692365,
"formula_full": "La28 Sm4 Mn12 Fe20 O80",
"formula_reduced": "La7SmMn3(FeO4)5",
"formula_anonymous": "AB3C5D7E20",
"energy": -1235.34793053,
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"updated_at": "2021-11-28T01:35:46.705000Z",
"spacegroup": 1
}
]
}