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{
"count": 146323,
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"results": [
{
"id": "mp-771896",
"created_at": "2022-09-04T14:43:10.745423Z",
"structure_string": "Li5 Mn8 Fe11 O32\n1.0\n3.026313 5.157336 0.000000\n-3.026313 5.157336 0.000000\n0.000000 4.050293 19.648347\nLi Mn Fe O\n5 8 11 32\ndirect\n0.338300 0.338300 0.965403 Li\n0.412566 0.412566 0.781699 Li\n0.163659 0.163659 0.526693 Li\n0.842593 0.842593 0.473093 Li\n0.592039 0.592039 0.226104 Li\n0.875787 0.875787 0.873699 Mn\n0.997907 0.997907 0.997002 Mn\n0.621677 0.621677 0.622475 Mn\n0.750367 0.750367 0.749952 Mn\n0.377501 0.377501 0.378107 Mn\n0.503617 0.503617 0.499842 Mn\n0.249343 0.249343 0.251112 Mn\n0.127521 0.127521 0.125629 Mn\n0.875182 0.373619 0.873431 Fe\n0.373619 0.875182 0.873431 Fe\n0.090488 0.090488 0.714632 Fe\n0.874151 0.377722 0.378470 Fe\n0.377722 0.874151 0.378470 Fe\n0.620511 0.125026 0.621734 Fe\n0.125026 0.620511 0.621734 Fe\n0.907451 0.907451 0.280457 Fe\n0.129894 0.615703 0.127702 Fe\n0.615703 0.129894 0.127702 Fe\n0.659212 0.659212 0.030617 Fe\n0.160717 0.716497 0.929848 O\n0.716497 0.160717 0.929848 O\n0.916299 0.916299 0.683396 O\n0.056495 0.056495 0.819367 O\n0.164382 0.164382 0.935443 O\n0.441127 0.441127 0.676514 O\n0.692118 0.692118 0.931950 O\n0.584116 0.584116 0.814125 O\n0.774389 0.343723 0.563570 O\n0.031624 0.587949 0.818825 O\n0.343723 0.774389 0.563570 O\n0.587949 0.031624 0.818825 O\n0.906744 0.464724 0.680499 O\n0.464724 0.906744 0.680499 O\n0.674776 0.674776 0.437120 O\n0.803150 0.803150 0.572150 O\n0.197090 0.197090 0.427289 O\n0.332008 0.332008 0.561927 O\n0.526173 0.083889 0.310776 O\n0.083889 0.526173 0.310776 O\n0.420193 0.974536 0.190812 O\n0.672847 0.226747 0.442567 O\n0.226747 0.672847 0.442567 O\n0.974536 0.420193 0.190812 O\n0.420490 0.420490 0.187701 O\n0.305710 0.305710 0.072967 O\n0.556052 0.556052 0.325750 O\n0.944832 0.944832 0.175070 O\n0.824516 0.824516 0.063682 O\n0.078938 0.078938 0.315632 O\n0.301324 0.813960 0.063467 O\n0.813960 0.301324 0.063467 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.333167369136199,
"density_atomic": 0.09130461760640854,
"volume": 613.3315211000834,
"volume_molar": 6.595658486802879,
"formula_full": "Li5 Mn8 Fe11 O32",
"formula_reduced": "Li5Mn8Fe11O32",
"formula_anonymous": "A5B8C11D32",
"energy": -438.73686561,
"energy_per_atom": -7.834586885892857,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.523000Z",
"spacegroup": 8
},
{
"id": "mp-1076483",
"created_at": "2022-09-04T14:45:24.407154Z",
"structure_string": "La16 Sm16 Co28 Cu4 O80\n1.0\n-0.001217 0.003139 10.822396\n11.518625 0.001340 -0.001398\n-5.756637 15.609153 -5.405480\nLa Sm Co Cu O\n16 16 28 4 80\ndirect\n0.307942 0.066132 0.609786 La\n0.309761 0.567698 0.612835 La\n0.806545 0.066264 0.610277 La\n0.807232 0.567593 0.613105 La\n0.196262 0.432926 0.386719 La\n0.190346 0.436333 0.891237 La\n0.694244 0.433021 0.386758 La\n0.690797 0.931111 0.385691 La\n0.058077 0.294382 0.610972 La\n0.055718 0.796439 0.612508 La\n0.558841 0.296072 0.612566 La\n0.443741 0.202906 0.385779 La\n0.447383 0.204890 0.890513 La\n0.945663 0.204083 0.385856 La\n0.944258 0.204464 0.889847 La\n0.945114 0.705114 0.386604 La\n0.297551 0.069249 0.108079 Sm\n0.299057 0.570467 0.111992 Sm\n0.797032 0.067440 0.106468 Sm\n0.802342 0.569050 0.109222 Sm\n0.196230 0.930012 0.388149 Sm\n0.190319 0.930910 0.893064 Sm\n0.695560 0.434772 0.892624 Sm\n0.689674 0.928172 0.889780 Sm\n0.052733 0.289418 0.109592 Sm\n0.049320 0.791181 0.110863 Sm\n0.551621 0.289774 0.109223 Sm\n0.549918 0.791506 0.107944 Sm\n0.554582 0.792173 0.609467 Sm\n0.443847 0.708559 0.389914 Sm\n0.444497 0.711393 0.892587 Sm\n0.940452 0.713466 0.893138 Sm\n0.004821 0.998833 0.497757 Co\n0.005116 0.500043 0.499470 Co\n0.504724 0.998729 0.499261 Co\n0.505530 0.501178 0.002383 Co\n0.504722 0.500247 0.498483 Co\n0.255764 0.252370 0.002401 Co\n0.255376 0.248675 0.498511 Co\n0.254503 0.751729 0.002423 Co\n0.255513 0.749316 0.499257 Co\n0.756050 0.250876 0.002016 Co\n0.754571 0.249908 0.498981 Co\n0.753546 0.749157 0.498697 Co\n0.106329 0.090877 0.249341 Co\n0.109982 0.092633 0.753027 Co\n0.108594 0.594719 0.249500 Co\n0.109184 0.598130 0.753978 Co\n0.605372 0.091244 0.247863 Co\n0.608751 0.092250 0.751894 Co\n0.602001 0.592315 0.245472 Co\n0.607415 0.596102 0.750982 Co\n0.355136 0.407256 0.246634 Co\n0.361821 0.409222 0.753589 Co\n0.352494 0.903275 0.246706 Co\n0.359281 0.904298 0.750143 Co\n0.854139 0.403762 0.244741 Co\n0.855841 0.409470 0.750747 Co\n0.858054 0.906653 0.248608 Co\n0.853998 0.903412 0.750044 Co\n0.001207 0.999880 0.002736 Cu\n0.002761 0.501789 0.002418 Cu\n0.502019 0.000501 0.002299 Cu\n0.752301 0.750291 0.001959 Cu\n0.119657 0.114501 0.478981 O\n0.120054 0.120399 0.987386 O\n0.119455 0.618389 0.481857 O\n0.113448 0.622689 0.984857 O\n0.617813 0.117253 0.481286 O\n0.618973 0.117455 0.985578 O\n0.614778 0.620720 0.479386 O\n0.617388 0.618971 0.978526 O\n0.135433 0.384258 0.022991 O\n0.137384 0.381665 0.517785 O\n0.133090 0.881574 0.019138 O\n0.137467 0.880943 0.515806 O\n0.638996 0.382899 0.023028 O\n0.637525 0.383630 0.518067 O\n0.632799 0.878379 0.016167 O\n0.634191 0.878351 0.518397 O\n0.364424 0.107305 0.477880 O\n0.364848 0.110215 0.983666 O\n0.370907 0.616258 0.479950 O\n0.369975 0.616967 0.983626 O\n0.868553 0.112345 0.481058 O\n0.863937 0.107722 0.982237 O\n0.868803 0.614058 0.481520 O\n0.866854 0.613054 0.985056 O\n0.387734 0.391785 0.025087 O\n0.387407 0.386616 0.518144 O\n0.385576 0.889410 0.019662 O\n0.388937 0.882253 0.516472 O\n0.885120 0.391550 0.019568 O\n0.887298 0.387153 0.518012 O\n0.880705 0.884077 0.016117 O\n0.886005 0.884448 0.515635 O\n0.113216 0.123851 0.150307 O\n0.091100 0.109580 0.642361 O\n0.113820 0.626991 0.150207 O\n0.090433 0.614004 0.642950 O\n0.613909 0.123789 0.149345 O\n0.589507 0.111388 0.641757 O\n0.602701 0.617775 0.140712 O\n0.586786 0.612993 0.639719 O\n0.445897 0.387770 0.356871 O\n0.461319 0.388158 0.860964 O\n0.446456 0.886723 0.357888 O\n0.465166 0.876493 0.851305 O\n0.946007 0.389027 0.356328 O\n0.951951 0.378222 0.852293 O\n0.957392 0.889563 0.357827 O\n0.964482 0.878522 0.851518 O\n0.353026 0.276646 0.141895 O\n0.341060 0.281982 0.642160 O\n0.352380 0.776841 0.140614 O\n0.347605 0.780928 0.639560 O\n0.852825 0.275024 0.139197 O\n0.836317 0.281811 0.640254 O\n0.861107 0.775218 0.148278 O\n0.836501 0.779267 0.638807 O\n0.197082 0.220540 0.359012 O\n0.201916 0.222975 0.861373 O\n0.205711 0.720911 0.359299 O\n0.213215 0.723863 0.861480 O\n0.696147 0.218806 0.358922 O\n0.699283 0.223887 0.860911 O\n0.696170 0.718355 0.356484 O\n0.715137 0.724236 0.851422 O\n0.414234 0.066394 0.243805 O\n0.419011 0.070367 0.750714 O\n0.414528 0.575261 0.249704 O\n0.421058 0.575661 0.756194 O\n0.914086 0.069369 0.243005 O\n0.918944 0.067536 0.749790 O\n0.916365 0.567813 0.244270 O\n0.922307 0.576069 0.756941 O\n0.164350 0.425959 0.243799 O\n0.171478 0.432220 0.751140 O\n0.164981 0.924875 0.249727 O\n0.173829 0.930171 0.756855 O\n0.663756 0.426859 0.243659 O\n0.667905 0.432006 0.755715 O\n0.664924 0.923751 0.243902 O\n0.665513 0.926149 0.750355 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"La",
"Sm",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-La-O-Sm",
"density": 6.66613644844912,
"density_atomic": 0.0739940573203274,
"volume": 1946.1022305698164,
"volume_molar": 8.138681642945423,
"formula_full": "La16 Sm16 Co28 Cu4 O80",
"formula_reduced": "La4Sm4Co7CuO20",
"formula_anonymous": "AB4C4D7E20",
"energy": -1138.3939997700002,
"energy_per_atom": -7.905513887291668,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.982000Z",
"spacegroup": 1
},
{
"id": "mp-530455",
"created_at": "2022-09-04T14:42:52.276209Z",
"structure_string": "La24 Mn22 O72\n1.0\n11.283875 0.046264 0.000000\n5.665056 5.599771 0.000000\n0.000000 0.000000 23.590963\nLa Mn O\n24 22 72\ndirect\n0.010837 0.507290 0.084913 La\n0.010384 0.509467 0.415700 La\n0.031181 0.511740 0.744027 La\n0.485254 0.989792 0.247723 La\n0.466139 0.024401 0.587377 La\n0.481322 0.007707 0.918100 La\n0.018678 0.992293 0.415234 La\n0.014746 0.010208 0.085610 La\n0.033861 0.975599 0.745956 La\n0.489163 0.492710 0.248420 La\n0.468819 0.488260 0.589306 La\n0.489616 0.490533 0.917634 La\n0.531181 0.511740 0.089306 La\n0.510384 0.509467 0.417634 La\n0.510837 0.507290 0.748420 La\n0.966139 0.024401 0.245956 La\n0.985254 0.989792 0.585610 La\n0.981322 0.007707 0.915234 La\n0.518678 0.992293 0.418100 La\n0.533861 0.975599 0.087377 La\n0.514746 0.010208 0.747723 La\n0.968819 0.488260 0.244027 La\n0.989163 0.492710 0.584913 La\n0.989616 0.490533 0.915700 La\n0.250000 0.000000 0.166667 Mn\n0.246414 0.000319 0.500393 Mn\n0.253586 0.999681 0.832940 Mn\n0.253639 0.996312 0.000221 Mn\n0.246361 0.003688 0.333112 Mn\n0.250000 0.000000 0.666667 Mn\n0.246918 0.500426 0.330901 Mn\n0.250000 0.500000 0.166667 Mn\n0.253082 0.499574 0.002432 Mn\n0.246041 0.501080 0.498059 Mn\n0.253959 0.498920 0.835274 Mn\n0.753639 0.996312 0.833112 Mn\n0.750000 0.000000 0.166667 Mn\n0.746361 0.003688 0.500221 Mn\n0.750000 0.000000 0.666667 Mn\n0.753586 0.999681 0.000393 Mn\n0.746414 0.000319 0.332940 Mn\n0.746918 0.500426 0.502432 Mn\n0.753082 0.499574 0.830901 Mn\n0.753959 0.498920 0.998059 Mn\n0.746041 0.501080 0.335274 Mn\n0.750000 0.500000 0.666667 Mn\n0.199344 0.079144 0.084263 O\n0.201431 0.077438 0.417197 O\n0.207862 0.079317 0.749571 O\n0.211092 0.280099 0.318276 O\n0.204493 0.288334 0.179728 O\n0.215390 0.280107 0.512110 O\n0.210505 0.270283 0.653194 O\n0.224929 0.277200 0.848749 O\n0.219892 0.274827 0.985537 O\n0.001829 0.776803 0.347099 O\n0.981599 0.812725 0.679917 O\n0.007314 0.777896 0.014697 O\n-0.000810 0.795284 0.154185 O\n0.003761 0.783262 0.820396 O\n0.997253 0.782063 0.483827 O\n0.278916 0.420916 0.416697 O\n0.279349 0.415878 0.085121 O\n0.284161 0.431646 0.757602 O\n0.220651 0.584122 0.248212 O\n0.215839 0.568354 0.575731 O\n0.221084 0.579084 0.916637 O\n0.492686 0.222104 0.318636 O\n0.500810 0.204716 0.179148 O\n0.502747 0.217937 0.849507 O\n0.496239 0.216738 0.512937 O\n0.518401 0.187275 0.653416 O\n0.498171 0.223197 0.986235 O\n0.280108 0.725173 0.347797 O\n0.288908 0.719901 0.015057 O\n0.295507 0.711666 0.153605 O\n0.275071 0.722800 0.484585 O\n0.289495 0.729717 0.680139 O\n0.284610 0.719893 0.821223 O\n0.699344 0.079144 0.749070 O\n0.707862 0.079317 0.083762 O\n0.701431 0.077438 0.416137 O\n0.300656 0.920856 0.249070 O\n0.292138 0.920683 0.583762 O\n0.298569 0.922562 0.916137 O\n0.715390 0.280107 0.321223 O\n0.710505 0.270283 0.180139 O\n0.711092 0.280099 0.515057 O\n0.704493 0.288334 0.653605 O\n0.719892 0.274827 0.847797 O\n0.724929 0.277200 0.984585 O\n0.503761 0.783262 0.012937 O\n0.481599 0.812725 0.153416 O\n0.497253 0.782063 0.349507 O\n0.499190 0.795284 0.679148 O\n0.507314 0.777896 0.818636 O\n0.501829 0.776803 0.486235 O\n0.778916 0.420916 0.416637 O\n0.779349 0.415878 0.748212 O\n0.784161 0.431646 0.075731 O\n0.720651 0.584122 0.585121 O\n0.715839 0.568354 0.257602 O\n0.721084 0.579084 0.916697 O\n0.998171 0.223197 0.847099 O\n0.996239 0.216738 0.320396 O\n0.018401 0.187275 0.179917 O\n0.992686 0.222104 0.514697 O\n1.000810 0.204716 0.654185 O\n0.002747 0.217937 0.983827 O\n0.780108 0.725173 0.485537 O\n0.775071 0.722800 0.348749 O\n0.784610 0.719893 0.012110 O\n0.789495 0.729717 0.153194 O\n0.795507 0.711666 0.679728 O\n0.788908 0.719901 0.818276 O\n0.800656 0.920856 0.584263 O\n0.792138 0.920683 0.249571 O\n0.798569 0.922562 0.917197 O\n",
"nsites": 118,
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"elements": [
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"Mn",
"O"
],
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"density": 6.369748241303602,
"density_atomic": 0.07949007769452085,
"volume": 1484.4620035908406,
"volume_molar": 7.575965371606498,
"formula_full": "La24 Mn22 O72",
"formula_reduced": "La12Mn11O36",
"formula_anonymous": "A11B12C36",
"energy": -1029.41196426,
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"updated_at": "2021-11-28T01:35:52.986000Z",
"spacegroup": 14
},
{
"id": "mp-758400",
"created_at": "2022-09-04T14:46:38.477573Z",
"structure_string": "Mn10 Fe8 O24\n1.0\n6.111317 0.000000 0.000000\n-0.034661 6.126539 0.000000\n-2.984773 -2.959585 13.019998\nMn Fe O\n10 8 24\ndirect\n0.000338 0.498950 0.998610 Mn\n0.794003 0.040908 0.085006 Mn\n0.166941 0.169313 0.333947 Mn\n0.335565 0.831642 0.167582 Mn\n0.448172 0.709526 0.415242 Mn\n0.536828 0.291193 0.584037 Mn\n0.885907 0.627306 0.250350 Mn\n0.126145 0.378145 0.750488 Mn\n0.330691 0.831821 0.665863 Mn\n0.206994 0.954350 0.914753 Mn\n0.503536 0.495513 0.999573 Fe\n0.335674 0.333762 0.167929 Fe\n0.997642 0.500682 0.499076 Fe\n0.666578 0.167325 0.333651 Fe\n0.999062 0.002367 0.499772 Fe\n0.665536 0.166211 0.832904 Fe\n0.830130 0.836735 0.668282 Fe\n0.667885 0.662221 0.832475 Fe\n0.105412 0.103099 0.183908 O\n0.244822 0.281659 0.009048 O\n0.546768 0.076090 0.167524 O\n0.254275 0.725476 0.009290 O\n0.125626 0.591225 0.165237 O\n0.087064 0.048745 0.658070 O\n0.563246 0.564870 0.158502 O\n0.397958 0.388211 0.325672 O\n0.220837 0.245376 0.486719 O\n0.084156 0.609783 0.656100 O\n0.230671 0.758455 0.514254 O\n0.572087 0.043451 0.665213 O\n0.783505 0.250450 0.500943 O\n0.940180 0.400238 0.343814 O\n0.394761 0.941182 0.326723 O\n0.780742 0.753529 0.506033 O\n0.573822 0.616297 0.672147 O\n0.440626 0.438540 0.847266 O\n0.940605 0.946831 0.344267 O\n0.888174 0.423527 0.833402 O\n0.754716 0.281744 0.999089 O\n0.425838 0.901471 0.816329 O\n0.757012 0.717105 0.991633 O\n0.889466 0.894676 0.819280 O\n",
"nsites": 42,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mn-O",
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"volume": 487.48463480061235,
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"formula_full": "Mn10 Fe8 O24",
"formula_reduced": "Mn5(FeO3)4",
"formula_anonymous": "A4B5C12",
"energy": -355.22261622,
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"updated_at": "2021-11-28T01:37:39.975000Z",
"spacegroup": 1
},
{
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