HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10197",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10195",
"results": [
{
"id": "mp-641117",
"created_at": "2022-09-04T14:46:38.725817Z",
"structure_string": "La10 Ti8 Fe2 O34\n1.0\n3.972749 0.000000 0.000000\n0.000000 5.557099 0.000000\n0.000000 0.000000 31.470449\nLa Ti Fe O\n10 8 2 34\ndirect\n0.500000 0.519716 0.909537 La\n0.000000 0.548240 0.286765 La\n0.000000 0.451760 0.713235 La\n0.500000 0.480284 0.090463 La\n0.500000 0.048240 0.213235 La\n0.000000 0.500000 0.500000 La\n0.500000 0.951760 0.786765 La\n0.500000 0.000000 0.000000 La\n0.000000 0.019716 0.590463 La\n0.000000 0.980284 0.409537 La\n0.500000 0.014685 0.322179 Ti\n0.500000 0.495010 0.408179 Ti\n0.500000 0.504990 0.591821 Ti\n0.500000 0.985315 0.677821 Ti\n0.000000 0.995010 0.091821 Ti\n0.000000 0.004990 0.908179 Ti\n0.000000 0.485315 0.822179 Ti\n0.000000 0.514685 0.177821 Ti\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.207157 0.553964 O\n0.000000 0.000000 0.500000 O\n0.500000 0.006427 0.915784 O\n0.000000 0.219516 0.787426 O\n0.000000 0.294430 0.224008 O\n0.000000 0.707157 0.946036 O\n0.000000 0.010680 0.671599 O\n0.000000 0.803973 0.035303 O\n0.000000 0.780484 0.212574 O\n0.500000 0.297595 0.637768 O\n0.000000 0.493573 0.415784 O\n0.500000 0.696027 0.535303 O\n0.500000 0.500000 0.000000 O\n0.000000 0.202405 0.137768 O\n0.500000 0.303973 0.464697 O\n0.000000 0.292843 0.053964 O\n0.500000 0.810054 0.621268 O\n0.500000 0.702405 0.362232 O\n0.000000 0.797595 0.862232 O\n0.000000 0.196027 0.964697 O\n0.500000 0.489320 0.171599 O\n0.500000 0.280484 0.287426 O\n0.500000 0.189946 0.378732 O\n0.500000 0.993573 0.084216 O\n0.000000 0.689946 0.121268 O\n0.000000 0.705570 0.775992 O\n0.000000 0.506427 0.584216 O\n0.500000 0.794430 0.275992 O\n0.500000 0.719516 0.712574 O\n0.500000 0.510680 0.828401 O\n0.000000 0.310054 0.878732 O\n0.500000 0.205570 0.724008 O\n0.000000 0.989320 0.328401 O\n0.500000 0.792843 0.446036 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"La",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-La-O-Ti",
"density": 5.802228309916912,
"density_atomic": 0.07772335871154593,
"volume": 694.7718278672152,
"volume_molar": 7.748173599071964,
"formula_full": "La10 Ti8 Fe2 O34",
"formula_reduced": "La5Ti4FeO17",
"formula_anonymous": "AB4C5D17",
"energy": -491.39203947,
"energy_per_atom": -9.099852582777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -463.52203947,
"band_gap": 1.4488000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000378,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.588000Z",
"spacegroup": 58
},
{
"id": "mp-1217452",
"created_at": "2022-09-04T14:47:21.872089Z",
"structure_string": "Ti6 Fe2 Bi10 O30\n1.0\n5.534428 0.000000 0.000000\n0.000000 5.486071 0.000000\n0.000000 2.742993 20.780885\nTi Fe Bi O\n6 2 10 30\ndirect\n0.284751 0.098969 0.303300 Ti\n0.288081 0.402234 0.695766 Ti\n0.784751 0.901031 0.696700 Ti\n0.788081 0.597766 0.304234 Ti\n0.294587 0.305453 0.903171 Ti\n0.794587 0.694547 0.096829 Ti\n0.296251 0.205860 0.096395 Fe\n0.796251 0.794140 0.903605 Fe\n0.229048 0.505029 0.438382 Bi\n0.227160 0.943938 0.561807 Bi\n0.729048 0.494971 0.561618 Bi\n0.727160 0.056062 0.438193 Bi\n0.241276 0.652992 0.205005 Bi\n0.236292 0.857149 0.793745 Bi\n0.741276 0.347008 0.794995 Bi\n0.736292 0.142851 0.206255 Bi\n0.254490 0.760181 0.003040 Bi\n0.754490 0.239819 0.996960 Bi\n0.086280 0.818066 0.296009 O\n0.088645 0.114847 0.703704 O\n0.586280 0.181934 0.703991 O\n0.588645 0.885153 0.296296 O\n0.539184 0.380852 0.274827 O\n0.537906 0.655115 0.724232 O\n0.039184 0.619148 0.725173 O\n0.037906 0.344885 0.275768 O\n0.617022 0.398915 0.108358 O\n0.617841 0.491058 0.893190 O\n0.117022 0.601085 0.891642 O\n0.117841 0.508942 0.106810 O\n0.299068 0.115731 0.387370 O\n0.296527 0.502654 0.612027 O\n0.799068 0.884269 0.612630 O\n0.796527 0.497346 0.387973 O\n0.031535 0.992833 0.074500 O\n0.036815 0.078104 0.922719 O\n0.531535 0.007167 0.925500 O\n0.536815 0.921896 0.077281 O\n0.338816 0.336402 0.998931 O\n0.838816 0.663598 0.001069 O\n0.333029 0.082411 0.191327 O\n0.332510 0.275480 0.811076 O\n0.833029 0.917589 0.808673 O\n0.832510 0.724520 0.188924 O\n0.999562 0.743510 0.498664 O\n0.999523 0.242320 0.501317 O\n0.499562 0.256490 0.501336 O\n0.499523 0.757680 0.498683 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ti",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O-Ti",
"density": 7.812930962283888,
"density_atomic": 0.07607518770732911,
"volume": 630.9547363151055,
"volume_molar": 7.91603799016302,
"formula_full": "Ti6 Fe2 Bi10 O30",
"formula_reduced": "Ti3Fe(BiO3)5",
"formula_anonymous": "AB3C5D15",
"energy": -364.93352265,
"energy_per_atom": -7.602781721875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -339.81152265,
"band_gap": 2.0168,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.797000Z",
"spacegroup": 4
},
{
"id": "mp-1044160",
"created_at": "2022-09-04T14:47:32.246408Z",
"structure_string": "Mg1 Cr4 O8\n1.0\n5.275300 -2.950851 0.000000\n5.275300 2.950851 0.000000\n3.624679 0.000000 4.837150\nMg Cr O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.275252 0.757263 0.757263 O\n0.242737 0.242737 0.724748 O\n0.724748 0.242737 0.242737 O\n0.242737 0.724748 0.242737 O\n0.271262 0.271262 0.271262 O\n0.728738 0.728738 0.728738 O\n0.757263 0.275252 0.757263 O\n0.757263 0.757263 0.275252 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.972654556428572,
"density_atomic": 0.08632356314790182,
"volume": 150.59619327490628,
"volume_molar": 6.9762421063203925,
"formula_full": "Mg1 Cr4 O8",
"formula_reduced": "MgCr4O8",
"formula_anonymous": "AB4C8",
"energy": -108.84821048,
"energy_per_atom": -8.372939267692308,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.35621048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.251000Z",
"spacegroup": 166
},
{
"id": "mp-1175920",
"created_at": "2022-09-04T14:45:08.645540Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.928909 0.000000 0.000000\n-2.614845 -5.877023 0.000000\n-2.840619 0.102213 -8.129486\nLi Mn Co O\n9 2 5 16\ndirect\n0.761820 0.752807 0.257083 Li\n0.257628 0.005645 0.498457 Li\n0.243817 0.743967 0.256989 Li\n0.743531 0.006795 0.492209 Li\n0.748220 0.254932 0.742873 Li\n0.246786 0.250555 0.745539 Li\n0.246456 0.489982 0.004750 Li\n0.757969 0.503452 0.003970 Li\n0.500585 0.249862 0.255558 Li\n0.008596 0.004898 0.999983 Mn\n0.505506 0.004859 0.001522 Mn\n0.986475 0.491684 0.498616 Co\n0.501496 0.748977 0.747128 Co\n0.001380 0.252592 0.250803 Co\n0.494737 0.494664 0.499751 Co\n0.999275 0.749054 0.748031 Co\n0.106666 0.011131 0.236140 O\n0.615722 0.267644 0.500191 O\n0.656818 0.022824 0.237966 O\n0.099541 0.256405 0.485567 O\n0.115475 0.515097 0.739226 O\n0.613532 0.513052 0.739970 O\n0.646565 0.774839 0.989740 O\n0.110598 0.757696 0.990857 O\n0.338873 0.473882 0.264304 O\n0.890530 0.738996 0.511926 O\n0.888325 0.484263 0.261654 O\n0.386692 0.736016 0.510544 O\n0.390061 0.986699 0.759934 O\n0.889928 0.988992 0.760378 O\n0.898777 0.247068 0.010099 O\n0.347624 0.220670 0.998243 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.238312863782094,
"density_atomic": 0.11296781163533572,
"volume": 283.26652996782116,
"volume_molar": 5.330846612696804,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.35613483,
"energy_per_atom": -6.5111292134375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.83813483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.618000Z",
"spacegroup": 1
},
{
"id": "mp-1174476",
"created_at": "2022-09-04T14:46:28.248304Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.081699 0.000000 0.000000\n1.738423 4.853221 0.000000\n2.314404 0.194650 10.237647\nLi Mn Co O\n8 2 4 14\ndirect\n0.929593 0.503781 0.634915 Li\n0.500000 0.500000 0.500000 Li\n0.070407 0.496219 0.365085 Li\n0.637048 0.501233 0.218335 Li\n0.208776 0.500695 0.073016 Li\n0.791224 0.499305 0.926984 Li\n0.362952 0.498767 0.781665 Li\n0.000000 0.000000 0.500000 Li\n0.860848 0.997535 0.780847 Mn\n0.139152 0.002465 0.219153 Mn\n0.421219 0.007231 0.636295 Co\n0.578781 0.992769 0.363705 Co\n0.714903 0.001025 0.071614 Co\n0.285097 0.998975 0.928386 Co\n0.614408 0.780242 0.783540 O\n0.161841 0.773368 0.657032 O\n0.725108 0.759391 0.494761 O\n0.315724 0.768154 0.344796 O\n0.897745 0.779540 0.207929 O\n0.443079 0.777516 0.072393 O\n0.026983 0.768922 0.926815 O\n0.274892 0.240609 0.505239 O\n0.838159 0.226632 0.342968 O\n0.385592 0.219758 0.216460 O\n0.973017 0.231078 0.073185 O\n0.556921 0.222484 0.927607 O\n0.102255 0.220460 0.792071 O\n0.684276 0.231846 0.655204 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.111300485998787,
"density_atomic": 0.11089676443197705,
"volume": 252.48707790004926,
"volume_molar": 5.4304025828399345,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -183.18924898,
"energy_per_atom": -6.5424731778571426,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.68324898,
"band_gap": 0.4742000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.630000Z",
"spacegroup": 2
},
{
"id": "mp-1175422",
"created_at": "2022-09-04T14:47:58.882922Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.130775 0.000000 0.000000\n2.474692 7.315237 0.000000\n0.805890 1.008292 7.665484\nLi Mn Co O\n9 2 5 16\ndirect\n0.501366 0.686318 0.937978 Li\n0.494647 0.939810 0.191443 Li\n0.505810 0.562847 0.317983 Li\n0.504910 0.807616 0.562059 Li\n0.494190 0.437153 0.682017 Li\n0.498634 0.313682 0.062022 Li\n0.495090 0.192384 0.437941 Li\n0.505353 0.060190 0.808557 Li\n0.000000 0.500000 0.500000 Li\n0.009489 0.745752 0.748746 Mn\n0.990511 0.254248 0.251254 Mn\n0.000000 0.000000 0.000000 Co\n0.005737 0.622958 0.131693 Co\n0.994224 0.865407 0.376854 Co\n0.005776 0.134593 0.623146 Co\n0.994263 0.377042 0.868307 Co\n0.780176 0.591266 0.730611 O\n0.780767 0.829534 0.962450 O\n0.768532 0.458859 0.099475 O\n0.763686 0.732563 0.337047 O\n0.765425 0.331600 0.455663 O\n0.766642 0.208680 0.845760 O\n0.772074 0.099677 0.216465 O\n0.780289 0.955891 0.602751 O\n0.233358 0.791320 0.154240 O\n0.219711 0.044109 0.397249 O\n0.234575 0.668400 0.544337 O\n0.227926 0.900323 0.783535 O\n0.231468 0.541141 0.900525 O\n0.219824 0.408734 0.269389 O\n0.236314 0.267437 0.662953 O\n0.219233 0.170466 0.037550 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.172893706189859,
"density_atomic": 0.1112241321784994,
"volume": 287.7073470768413,
"volume_molar": 5.414419193071603,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.7340437,
"energy_per_atom": -6.522938865625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.2160437,
"band_gap": 0.5026000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.599000Z",
"spacegroup": 2
},
{
"id": "mp-1173925",
"created_at": "2022-09-04T14:43:19.056303Z",
"structure_string": "Li3 Mn1 Co2 O6\n1.0\n4.449590 2.519386 0.000000\n-4.449590 2.519386 0.000000\n0.000000 1.654430 4.869451\nLi Mn Co O\n3 1 2 6\ndirect\n0.335613 0.664387 0.500000 Li\n0.664387 0.335613 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Mn\n0.831209 0.168791 0.000000 Co\n0.168791 0.831209 0.000000 Co\n0.108098 0.421257 0.227943 O\n0.421257 0.108098 0.227943 O\n0.742689 0.742689 0.223324 O\n0.578743 0.891902 0.772057 O\n0.891902 0.578743 0.772057 O\n0.257311 0.257311 0.776676 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.405129645655093,
"density_atomic": 0.10991489343969847,
"volume": 109.17537764419016,
"volume_molar": 5.478912430828919,
"formula_full": "Li3 Mn1 Co2 O6",
"formula_reduced": "Li3Mn(CoO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -80.72085580000001,
"energy_per_atom": -6.726737983333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.6548558,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000428,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.704000Z",
"spacegroup": 12
},
{
"id": "mp-1174096",
"created_at": "2022-09-04T14:47:12.107248Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.968755 0.000000 0.000000\n-1.128498 7.719821 0.000000\n-0.045699 -2.096708 7.872748\nLi Mn Co O\n6 2 2 10\ndirect\n0.804674 0.600262 0.891335 Li\n0.013751 0.012820 0.499889 Li\n0.193350 0.399220 0.103806 Li\n0.376337 0.790093 0.689492 Li\n0.608937 0.207588 0.316556 Li\n0.179168 0.389328 0.592453 Li\n0.005303 0.000774 0.002438 Mn\n0.611417 0.207355 0.793224 Mn\n0.393682 0.797177 0.205598 Co\n0.792726 0.590896 0.407600 Co\n0.364348 0.802072 0.959274 O\n0.595559 0.197306 0.565921 O\n0.809408 0.609194 0.171825 O\n0.038929 0.025677 0.763534 O\n0.177593 0.416210 0.353856 O\n0.182366 0.378474 0.843800 O\n0.430396 0.787193 0.437170 O\n0.636265 0.192454 0.036254 O\n0.801400 0.607178 0.626738 O\n0.984389 0.988731 0.239237 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.951713752646983,
"density_atomic": 0.11084651832972765,
"volume": 180.4296634785348,
"volume_molar": 5.432864153735839,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -131.5236465,
"energy_per_atom": -6.576182325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.0416465,
"band_gap": 0.2133999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000431,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.697000Z",
"spacegroup": 1
},
{
"id": "mp-1044208",
"created_at": "2022-09-04T14:46:05.566889Z",
"structure_string": "Mg1 Mo4 O8\n1.0\n5.283834 -3.218325 0.000000\n5.283834 3.218325 0.000000\n3.323588 0.000000 5.218264\nMg Mo O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mo\n0.500000 0.000000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.000000 0.000000 0.000000 Mo\n0.276516 0.750750 0.750750 O\n0.249250 0.249250 0.723484 O\n0.723484 0.249250 0.249250 O\n0.249250 0.723484 0.249250 O\n0.271040 0.271040 0.271040 O\n0.728960 0.728960 0.728960 O\n0.750750 0.276516 0.750750 O\n0.750750 0.750750 0.276516 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.015653832167664,
"density_atomic": 0.07325010401544617,
"volume": 177.47415071600042,
"volume_molar": 8.221340899024687,
"formula_full": "Mg1 Mo4 O8",
"formula_reduced": "Mg(MoO2)4",
"formula_anonymous": "AB4C8",
"energy": -109.30946498999998,
"energy_per_atom": -8.408420383846153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.00546499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.513000Z",
"spacegroup": 166
},
{
"id": "mp-556632",
"created_at": "2022-09-04T14:39:28.600284Z",
"structure_string": "Ba4 Pr1 Mn3 O12\n1.0\n10.129413 -2.957798 0.000000\n10.129413 2.957798 0.000000\n9.265734 0.000000 5.049729\nBa Pr Mn O\n4 1 3 12\ndirect\n0.277712 0.277712 0.277712 Ba\n0.130582 0.130582 0.130582 Ba\n0.722288 0.722288 0.722288 Ba\n0.869418 0.869418 0.869418 Ba\n0.000000 0.000000 0.000000 Pr\n0.585961 0.585961 0.585961 Mn\n0.414039 0.414039 0.414039 Mn\n0.500000 0.500000 0.500000 Mn\n0.394112 0.394112 0.833795 O\n0.605888 0.166205 0.605888 O\n0.690324 0.226720 0.226720 O\n0.226720 0.690324 0.226720 O\n0.394112 0.833795 0.394112 O\n0.773280 0.773280 0.309676 O\n0.166205 0.605888 0.605888 O\n0.226720 0.226720 0.690324 O\n0.773280 0.309676 0.773280 O\n0.833795 0.394112 0.394112 O\n0.605888 0.605888 0.166205 O\n0.309676 0.773280 0.773280 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Pr",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O-Pr",
"density": 5.745850079063037,
"density_atomic": 0.06609660282339097,
"volume": 302.58741214642555,
"volume_molar": 9.111119940749541,
"formula_full": "Ba4 Pr1 Mn3 O12",
"formula_reduced": "Ba4PrMn3O12",
"formula_anonymous": "AB3C4D12",
"energy": -151.82077988999998,
"energy_per_atom": -7.591038994499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.57277989,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000449,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.115000Z",
"spacegroup": 166
},
{
"id": "mp-1176143",
"created_at": "2022-09-04T14:46:05.223520Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.886985 0.000000 0.000000\n0.233597 5.885075 0.000000\n2.906336 0.151487 8.114805\nLi Mn Co O\n9 2 5 16\ndirect\n0.121454 0.253044 0.255404 Li\n0.250298 0.991364 0.489448 Li\n0.624304 0.254171 0.252073 Li\n0.762327 0.991632 0.489099 Li\n0.876228 0.748245 0.748014 Li\n0.376984 0.747644 0.746973 Li\n0.489703 0.508052 0.012717 Li\n0.997677 0.505759 0.010618 Li\n0.125695 0.746781 0.252015 Li\n0.997286 0.993599 0.005306 Mn\n0.372150 0.249580 0.748918 Mn\n0.252703 0.507588 0.497080 Co\n0.490659 0.992479 0.005076 Co\n0.628436 0.750360 0.249891 Co\n0.761582 0.508866 0.493261 Co\n0.874915 0.250661 0.746778 Co\n0.866691 0.987165 0.234026 O\n0.011616 0.731466 0.506109 O\n0.399917 0.991413 0.229894 O\n0.529192 0.743531 0.485141 O\n0.614574 0.468643 0.744928 O\n0.142046 0.486557 0.739640 O\n0.239503 0.225967 0.994200 O\n0.770646 0.239824 0.980658 O\n0.391484 0.522008 0.263896 O\n0.480664 0.263217 0.515816 O\n0.855862 0.508266 0.264225 O\n0.975837 0.257375 0.513610 O\n0.127835 0.026952 0.757021 O\n0.600560 0.010223 0.766245 O\n0.757019 0.773915 0.004573 O\n0.234151 0.763654 0.997348 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.270367542012704,
"density_atomic": 0.11382219567180714,
"volume": 281.1402451967121,
"volume_molar": 5.290831655860982,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.93936859,
"energy_per_atom": -6.5293552684375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.42136859,
"band_gap": 0.5783999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.220000Z",
"spacegroup": 1
},
{
"id": "mp-774701",
"created_at": "2022-09-04T14:48:09.173106Z",
"structure_string": "Li4 Cr3 Co2 Sn3 O16\n1.0\n6.102336 0.012780 -0.001529\n-3.040149 5.259843 0.007984\n-0.002197 0.012827 9.678163\nLi Cr Co Sn O\n4 3 2 3 16\ndirect\n0.347725 0.674369 0.889878 Li\n0.966314 0.983439 0.992149 Li\n0.974072 0.989464 0.501187 Li\n0.676070 0.337188 0.398420 Li\n0.661320 0.830623 0.215936 Cr\n0.832851 0.663027 0.711122 Cr\n0.833192 0.176154 0.714374 Cr\n0.334046 0.663799 0.495156 Co\n0.672132 0.337357 0.987660 Co\n0.171258 0.831848 0.214160 Sn\n0.171724 0.338666 0.213344 Sn\n0.339019 0.170627 0.714182 Sn\n0.146167 0.826947 0.600076 O\n0.039957 0.518358 0.346245 O\n0.348131 0.674673 0.097643 O\n0.987995 0.993438 0.317611 O\n0.987938 0.994797 0.809890 O\n0.147668 0.321061 0.599139 O\n0.497633 0.963259 0.337450 O\n0.498323 0.530202 0.335854 O\n0.317957 0.158567 0.090329 O\n0.674763 0.834332 0.615587 O\n0.541020 0.494484 0.839208 O\n0.538614 0.044505 0.838088 O\n0.677988 0.339996 0.602835 O\n0.826134 0.673964 0.102688 O\n0.964223 0.482200 0.825148 O\n0.825768 0.152955 0.102481 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Cr-Li-O-Sn",
"density": 4.878484173995437,
"density_atomic": 0.0900267619325333,
"volume": 311.01862822727537,
"volume_molar": 6.689278422024148,
"formula_full": "Li4 Cr3 Co2 Sn3 O16",
"formula_reduced": "Li4Cr3Co2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -197.17183184,
"energy_per_atom": -7.041851137142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.90683184,
"band_gap": 0.0867,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.000047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.293000Z",
"spacegroup": 8
}
]
}