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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10190",
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"results": [
{
"id": "mp-1218286",
"created_at": "2022-09-04T14:41:08.787553Z",
"structure_string": "Sr1 La3 Mn2 Cr2 O12\n1.0\n2.766879 1.597451 4.436973\n-5.679324 -3.278918 4.556990\n2.770653 -4.798864 -0.000010\nSr La Mn Cr O\n1 3 2 2 12\ndirect\n0.999999 0.750000 0.494851 Sr\n0.499993 0.250008 0.004059 La\n0.499989 0.750001 0.998235 La\n0.999997 0.250006 0.501618 La\n0.000250 0.501002 0.000066 Mn\n0.999753 0.998990 0.000069 Mn\n0.500176 0.999053 0.499841 Cr\n0.499828 0.500940 0.499838 Cr\n0.999985 0.750066 0.949972 O\n0.500005 0.249990 0.442189 O\n0.000010 0.249940 0.062358 O\n0.499997 0.750003 0.564843 O\n0.277400 0.467069 0.784746 O\n0.722614 0.032932 0.784753 O\n0.780134 0.976975 0.271591 O\n0.219868 0.523019 0.271604 O\n0.781539 0.462222 0.726311 O\n0.218465 0.037776 0.726324 O\n0.283862 0.974950 0.208365 O\n0.716134 0.525055 0.208369 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"O"
],
"chemical_system": "Cr-La-Mn-O-Sr",
"density": 6.247811256459133,
"density_atomic": 0.08267480154870084,
"volume": 241.9116783512168,
"volume_molar": 7.284130892594363,
"formula_full": "Sr1 La3 Mn2 Cr2 O12",
"formula_reduced": "SrLa3Mn2Cr2O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -172.89481857,
"energy_per_atom": -8.644740928500001,
"energy_above_hull": null,
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"energy_uncorrected": -157.31681857,
"band_gap": 0.4274000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9995432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.341000Z",
"spacegroup": 3
},
{
"id": "mp-1316362",
"created_at": "2022-09-04T14:40:07.057543Z",
"structure_string": "Sr1 La3 Mn2 Cr2 O12\n1.0\n2.756193 1.681072 4.486003\n-2.785380 1.686237 4.502164\n-2.776201 -8.086334 4.383393\nSr La Mn Cr O\n1 3 2 2 12\ndirect\n0.872292 0.253371 0.626112 Sr\n0.373552 0.248934 0.122404 La\n0.128682 0.748205 0.379086 La\n0.623874 0.748415 0.872289 La\n0.503840 0.000839 0.498536 Mn\n0.250823 0.496201 0.749566 Mn\n0.996049 0.997589 0.001576 Cr\n0.747014 0.502674 0.251180 Cr\n0.805231 0.812555 0.125876 O\n0.331272 0.823182 0.612470 O\n0.168546 0.247742 0.344244 O\n0.146888 0.680874 0.905734 O\n0.640230 0.260411 0.847081 O\n0.652490 0.705726 0.404473 O\n0.337139 0.741137 0.162752 O\n0.840812 0.317890 0.093492 O\n0.846169 0.757263 0.652625 O\n0.350749 0.310407 0.589481 O\n0.687568 0.183536 0.375048 O\n0.196782 0.163048 0.885974 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-La-Mn-O-Sr",
"density": 6.238607819917714,
"density_atomic": 0.08255301613323376,
"volume": 242.268555854115,
"volume_molar": 7.294876725377012,
"formula_full": "Sr1 La3 Mn2 Cr2 O12",
"formula_reduced": "SrLa3Mn2Cr2O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -172.67855239,
"energy_per_atom": -8.6339276195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -157.10055239,
"band_gap": 1.1021,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.897000Z",
"spacegroup": 1
},
{
"id": "mp-1218266",
"created_at": "2022-09-04T14:41:13.111838Z",
"structure_string": "Sr1 La3 Mn3 Cr1 O12\n1.0\n9.129526 -2.800847 0.000000\n9.129526 2.800847 0.000000\n8.270255 0.000000 4.774503\nSr La Mn Cr O\n1 3 3 1 12\ndirect\n0.624797 0.624797 0.624797 Sr\n0.125727 0.125727 0.125727 La\n0.373359 0.373359 0.373359 La\n0.876589 0.876589 0.876589 La\n0.250189 0.250189 0.250189 Mn\n0.750267 0.750267 0.750267 Mn\n0.999842 0.999842 0.999842 Mn\n0.500240 0.500240 0.500240 Cr\n0.176798 0.615164 0.080838 O\n0.693341 0.122400 0.558678 O\n0.080838 0.176798 0.615164 O\n0.558678 0.693341 0.122400 O\n0.615164 0.080838 0.176798 O\n0.122400 0.558678 0.693341 O\n0.437719 0.299922 0.881799 O\n0.937570 0.813013 0.381750 O\n0.881799 0.437719 0.299922 O\n0.381750 0.937570 0.813013 O\n0.299922 0.881799 0.437719 O\n0.813013 0.381750 0.937570 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-La-Mn-O-Sr",
"density": 6.209983115404057,
"density_atomic": 0.08190948853624498,
"volume": 244.17195562330966,
"volume_molar": 7.3521894320402215,
"formula_full": "Sr1 La3 Mn3 Cr1 O12",
"formula_reduced": "SrLa3Mn3CrO12",
"formula_anonymous": "ABC3D3E12",
"energy": -171.57382671,
"energy_per_atom": -8.5786913355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -156.32682671,
"band_gap": 0.3421000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0020146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.739000Z",
"spacegroup": 146
},
{
"id": "mp-1218311",
"created_at": "2022-09-04T14:44:02.416187Z",
"structure_string": "Sr2 La6 Mn8 O20\n1.0\n2.796661 8.630682 0.000000\n-2.796661 8.630682 0.000000\n0.000000 3.921061 10.952699\nSr La Mn O\n2 6 8 20\ndirect\n0.396878 0.371808 0.798796 Sr\n0.628192 0.603122 0.201204 Sr\n0.591780 0.625562 0.702602 La\n0.374438 0.408220 0.297398 La\n0.908837 0.870777 0.067726 La\n0.129223 0.091163 0.932274 La\n0.088949 0.137282 0.432586 La\n0.862717 0.911051 0.567414 La\n0.201844 0.296470 0.598535 Mn\n0.703530 0.798156 0.401465 Mn\n0.797192 0.704408 0.901157 Mn\n0.295592 0.202808 0.098843 Mn\n0.494096 0.505904 0.500000 Mn\n0.504241 0.495759 0.000000 Mn\n0.003261 0.003601 0.249445 Mn\n0.996399 0.996739 0.750555 Mn\n0.322378 0.398767 0.114680 O\n0.601233 0.677622 0.885320 O\n0.678024 0.599477 0.399040 O\n0.400523 0.321976 0.600961 O\n0.266242 0.770025 0.608174 O\n0.229975 0.733758 0.391826 O\n0.742292 0.238713 0.886672 O\n0.761287 0.257708 0.113328 O\n0.895326 0.835689 0.282258 O\n0.164311 0.104674 0.717742 O\n0.125200 0.144071 0.224497 O\n0.855929 0.874800 0.775503 O\n0.162819 0.319989 0.932458 O\n0.680011 0.837181 0.067542 O\n0.818194 0.677890 0.578121 O\n0.322110 0.181806 0.421879 O\n0.723106 0.240701 0.388035 O\n0.759299 0.276894 0.611965 O\n0.273433 0.758862 0.111776 O\n0.241138 0.726567 0.888224 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.553104442160401,
"density_atomic": 0.06808734680660349,
"volume": 528.7326014076455,
"volume_molar": 8.844728194660599,
"formula_full": "Sr2 La6 Mn8 O20",
"formula_reduced": "SrLa3Mn4O10",
"formula_anonymous": "AB3C4D10",
"energy": -309.10534248,
"energy_per_atom": -8.586259513333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.02134248,
"band_gap": 0.8863000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.9981375,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.525000Z",
"spacegroup": 5
},
{
"id": "mp-1218306",
"created_at": "2022-09-04T14:46:12.796568Z",
"structure_string": "Sr2 La6 Mn8 O20\n1.0\n2.789829 8.660585 0.000000\n-2.789829 8.660585 0.000000\n0.000000 3.850698 10.920651\nSr La Mn O\n2 6 8 20\ndirect\n0.606753 0.620247 0.187369 Sr\n0.620247 0.606753 0.687369 Sr\n0.876573 0.902694 0.043689 La\n0.092017 0.133249 0.456727 La\n0.133249 0.092017 0.956727 La\n0.902694 0.876573 0.543689 La\n0.379209 0.401841 0.315275 La\n0.401841 0.379209 0.815275 La\n0.502925 0.500110 0.001042 Mn\n0.500110 0.502925 0.501042 Mn\n0.711533 0.789261 0.346724 Mn\n0.205771 0.292796 0.152640 Mn\n0.292796 0.205771 0.652640 Mn\n0.789261 0.711533 0.846724 Mn\n0.000973 0.002711 0.249605 Mn\n0.002711 0.000973 0.749605 Mn\n0.836978 0.677358 0.170817 O\n0.324795 0.176372 0.327950 O\n0.176372 0.324795 0.827950 O\n0.677358 0.836978 0.670817 O\n0.142407 0.125778 0.145926 O\n0.886690 0.844928 0.351630 O\n0.844928 0.886690 0.851630 O\n0.125778 0.142407 0.645926 O\n0.243153 0.730026 0.628539 O\n0.261035 0.747977 0.878119 O\n0.747977 0.261035 0.378119 O\n0.730026 0.243153 0.128539 O\n0.232658 0.726024 0.129693 O\n0.263532 0.767723 0.376301 O\n0.767723 0.263532 0.876301 O\n0.726024 0.232658 0.629693 O\n0.400781 0.318806 0.027579 O\n0.687020 0.587294 0.460377 O\n0.587294 0.687020 0.960377 O\n0.318806 0.400781 0.527579 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.563762647990503,
"density_atomic": 0.06821802847561381,
"volume": 527.7197363284849,
"volume_molar": 8.827784816667283,
"formula_full": "Sr2 La6 Mn8 O20",
"formula_reduced": "SrLa3Mn4O10",
"formula_anonymous": "AB3C4D10",
"energy": -309.16352737,
"energy_per_atom": -8.587875760277777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -282.07952737,
"band_gap": 0.8902000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.9982235,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.672000Z",
"spacegroup": 9
},
{
"id": "mp-1218242",
"created_at": "2022-09-04T14:42:58.772400Z",
"structure_string": "Sr1 La3 Mn4 O12\n1.0\n3.927441 3.927441 3.927441\n-3.927441 3.927441 3.927441\n-3.927441 -3.927441 3.927441\nSr La Mn O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.254345 0.745655 0.508690 O\n0.254345 0.254345 0.000000 O\n0.745655 0.254345 0.491310 O\n0.745655 0.745655 0.000000 O\n0.254345 0.491310 0.254345 O\n0.254345 0.000000 0.745655 O\n0.745655 0.000000 0.254345 O\n0.745655 0.508690 0.745655 O\n0.491310 0.254345 0.745655 O\n0.508690 0.745655 0.254345 O\n0.000000 0.745655 0.745655 O\n0.000000 0.254345 0.254345 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.277607494124824,
"density_atomic": 0.08253553972691234,
"volume": 242.3198547701337,
"volume_molar": 7.296421371842514,
"formula_full": "Sr1 La3 Mn4 O12",
"formula_reduced": "SrLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -169.79961095,
"energy_per_atom": -8.4899805475,
"energy_above_hull": null,
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"energy_uncorrected": -154.88361095,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 15.0001539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.930000Z",
"spacegroup": 229
},
{
"id": "mp-1565572",
"created_at": "2022-09-04T14:43:52.225055Z",
"structure_string": "Sr1 La3 Mn4 O12\n1.0\n-3.905324 3.982744 3.905095\n-3.905349 -3.982759 3.905091\n3.889911 -3.982689 3.889681\nSr La Mn O\n1 3 4 12\ndirect\n0.000042 0.000018 0.000016 Sr\n0.499945 0.000032 0.499914 La\n0.499974 0.499979 0.000003 La\n0.000024 0.499970 0.500047 La\n0.000068 0.499911 0.000040 Mn\n0.499955 0.000044 0.000030 Mn\n0.000016 0.999982 0.499991 Mn\n0.499991 0.500032 0.499970 Mn\n0.000694 0.264243 0.245427 O\n0.508468 0.743262 0.255106 O\n0.999269 0.735811 0.754566 O\n0.491575 0.256674 0.744920 O\n0.735807 0.999272 0.245428 O\n0.256720 0.491567 0.255121 O\n0.743273 0.508462 0.744896 O\n0.264210 0.000694 0.754534 O\n0.755159 0.244836 0.490682 O\n0.244798 0.755186 0.509330 O\n0.746599 0.746613 0.999990 O\n0.253413 0.253411 0.999990 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
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],
"chemical_system": "La-Mn-O-Sr",
"density": 6.2858990419258225,
"density_atomic": 0.08264455376985264,
"volume": 242.00021765131325,
"volume_molar": 7.286796873234225,
"formula_full": "Sr1 La3 Mn4 O12",
"formula_reduced": "SrLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -169.56922643,
"energy_per_atom": -8.4784613215,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -154.65322643,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 14.9999452,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.659000Z",
"spacegroup": 12
},
{
"id": "mp-1218257",
"created_at": "2022-09-04T14:48:11.160749Z",
"structure_string": "Sr1 La3 Mn4 O12\n1.0\n2.788957 1.626638 4.496406\n-5.597598 -3.232348 4.501125\n2.789620 -4.848778 -0.011600\nSr La Mn O\n1 3 4 12\ndirect\n0.499957 0.250026 0.002929 Sr\n0.999929 0.750160 0.496736 La\n0.500114 0.749980 0.999825 La\n0.999986 0.249941 0.500739 La\n0.000012 0.499380 0.000228 Mn\n0.500240 0.000729 0.499742 Mn\n0.999888 0.000621 0.000268 Mn\n0.499715 0.499321 0.499849 Mn\n0.220639 0.532731 0.720115 O\n0.725621 0.022013 0.225925 O\n0.274392 0.477958 0.225550 O\n0.779582 0.967326 0.720335 O\n0.999896 0.750006 0.059712 O\n0.499912 0.249958 0.550908 O\n0.723401 0.537795 0.776477 O\n0.214546 0.025522 0.285897 O\n0.000098 0.249997 0.934866 O\n0.500118 0.750057 0.437461 O\n0.785214 0.474432 0.286110 O\n0.276741 0.962047 0.776329 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.237550235371224,
"density_atomic": 0.08200888248140867,
"volume": 243.8760216557515,
"volume_molar": 7.343278651998719,
"formula_full": "Sr1 La3 Mn4 O12",
"formula_reduced": "SrLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -170.34040994000003,
"energy_per_atom": -8.517020497,
"energy_above_hull": null,
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"energy_uncorrected": -155.42440994,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.938000Z",
"spacegroup": 3
},
{
"id": "mp-705906",
"created_at": "2022-09-04T14:42:00.014066Z",
"structure_string": "Sr2 La6 Mn8 O24\n1.0\n5.542812 -5.598393 0.000000\n5.542812 5.598393 0.000000\n-0.111720 0.000000 7.877327\nSr La Mn O\n2 6 8 24\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Sr\n0.750000 0.248123 0.251877 La\n0.251877 0.750000 0.248123 La\n0.748123 0.250000 0.751877 La\n0.248123 0.251877 0.750000 La\n0.250000 0.751877 0.748123 La\n0.751877 0.748123 0.250000 La\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.749964 0.034354 0.974199 O\n0.025801 0.250036 0.965646 O\n0.250000 0.530522 0.969478 O\n0.523475 0.750000 0.976525 O\n0.023475 0.476525 0.250000 O\n0.474199 0.534354 0.249964 O\n0.750036 0.525801 0.465646 O\n0.530522 0.969478 0.250000 O\n0.030522 0.750000 0.469478 O\n0.965646 0.025801 0.250036 O\n0.465646 0.750036 0.525801 O\n0.750000 0.976525 0.523475 O\n0.250000 0.023475 0.476525 O\n0.534354 0.249964 0.474199 O\n0.034354 0.974199 0.749964 O\n0.969478 0.250000 0.530522 O\n0.469478 0.030522 0.750000 O\n0.249964 0.474199 0.534354 O\n0.525801 0.465646 0.750036 O\n0.976525 0.523475 0.750000 O\n0.476525 0.250000 0.023475 O\n0.750000 0.469478 0.030522 O\n0.974199 0.749964 0.034354 O\n0.250036 0.965646 0.025801 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.223156938629218,
"density_atomic": 0.0818196450185436,
"volume": 488.88014597147674,
"volume_molar": 7.3602626345239495,
"formula_full": "Sr2 La6 Mn8 O24",
"formula_reduced": "SrLa3Mn4O12",
"formula_anonymous": "AB3C4D12",
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"updated_at": "2021-11-28T01:35:36.986000Z",
"spacegroup": 167
},
{
"id": "mp-1218246",
"created_at": "2022-09-04T14:39:40.628601Z",
"structure_string": "Sr2 La6 Mn2 Cu2 O16\n1.0\n1.915406 -1.926593 6.536105\n0.009061 7.715683 0.000063\n-7.671015 -0.009104 0.000098\nSr La Mn Cu O\n2 6 2 2 16\ndirect\n0.286359 0.321605 0.821577 Sr\n0.286274 0.821574 0.321590 Sr\n0.279160 0.319789 0.319798 La\n0.279201 0.819777 0.819784 La\n0.716705 0.679175 0.679153 La\n0.716685 0.179166 0.179191 La\n0.720208 0.180053 0.680026 La\n0.720137 0.679986 0.180033 La\n0.000420 0.000099 0.500095 Mn\n0.000427 0.500099 0.000094 Mn\n0.007230 0.501858 0.501882 Cu\n0.007215 0.001847 0.001862 Cu\n0.625288 0.406299 0.406274 O\n0.625306 0.906259 0.906277 O\n0.667148 0.416795 0.916789 O\n0.667099 0.916757 0.416778 O\n0.352911 0.088227 0.588195 O\n0.352868 0.588185 0.088179 O\n0.371138 0.592788 0.592795 O\n0.371142 0.092810 0.092799 O\n0.994241 0.499539 0.750770 O\n0.994244 0.999542 0.250794 O\n0.994254 0.497615 0.246358 O\n0.994246 0.997613 0.746329 O\n0.992515 0.246173 0.999261 O\n0.992527 0.746174 0.499267 O\n0.992523 0.750092 0.997020 O\n0.992524 0.250102 0.497029 O\n",
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"elements": [
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"Mn",
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"O"
],
"chemical_system": "Cu-La-Mn-O-Sr",
"density": 6.445611342254644,
"density_atomic": 0.0723785258859763,
"volume": 386.85507417090315,
"volume_molar": 8.320341822776497,
"formula_full": "Sr2 La6 Mn2 Cu2 O16",
"formula_reduced": "SrLa3MnCuO8",
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"is_magnetic": true,
"total_magnetization": 2e-07,
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"updated_at": "2021-11-28T01:34:43.372000Z",
"spacegroup": 38
},
{
"id": "mp-1218274",
"created_at": "2022-09-04T14:43:17.071042Z",
"structure_string": "Sr1 La3 Mn1 O12\n1.0\n8.909350 -2.684796 0.000000\n8.909350 2.684796 0.000000\n8.100298 0.000000 4.579282\nSr La Mn O\n1 3 1 12\ndirect\n0.628263 0.628263 0.628263 Sr\n0.123797 0.123797 0.123797 La\n0.377566 0.377566 0.377566 La\n0.872400 0.872400 0.872400 La\n0.253460 0.253460 0.253460 Mn\n0.130737 0.622433 0.120275 O\n0.640896 0.113393 0.611607 O\n0.120275 0.130737 0.622433 O\n0.611607 0.640896 0.113393 O\n0.622433 0.120275 0.130737 O\n0.113393 0.611607 0.640896 O\n0.393756 0.337612 0.887572 O\n0.887517 0.866183 0.382535 O\n0.887572 0.393756 0.337612 O\n0.382535 0.887517 0.866183 O\n0.337612 0.887572 0.393756 O\n0.866183 0.382535 0.887517 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 5.694542785597967,
"density_atomic": 0.07760044724957388,
"volume": 219.0709023277356,
"volume_molar": 7.760445942575504,
"formula_full": "Sr1 La3 Mn1 O12",
"formula_reduced": "SrLa3MnO12",
"formula_anonymous": "ABC3D12",
"energy": -121.11939865,
"energy_per_atom": -7.124670508823529,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -111.20739865,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.071000Z",
"spacegroup": 146
},
{
"id": "mp-753578",
"created_at": "2022-09-04T14:48:08.462180Z",
"structure_string": "Sr2 La6 Mn2 O16\n1.0\n2.672629 -6.398601 0.000000\n2.672629 6.398601 0.000000\n0.000000 0.000000 10.886732\nSr La Mn O\n2 6 2 16\ndirect\n0.361887 0.638113 0.750000 Sr\n0.638113 0.361887 0.250000 Sr\n0.133942 0.866058 0.001838 La\n0.634606 0.365394 0.750000 La\n0.866058 0.133942 0.998162 La\n0.365394 0.634606 0.250000 La\n0.133942 0.866058 0.498162 La\n0.866058 0.133942 0.501838 La\n0.999354 0.000646 0.750000 Mn\n0.000646 0.999354 0.250000 Mn\n0.757005 0.752624 0.872304 O\n0.158810 0.841190 0.750000 O\n0.309639 0.690361 0.018620 O\n0.841255 0.158745 0.750000 O\n0.247376 0.242995 0.872304 O\n0.752624 0.757005 0.127696 O\n0.242995 0.247376 0.127696 O\n0.690361 0.309639 0.981380 O\n0.158745 0.841255 0.250000 O\n0.752624 0.757005 0.372304 O\n0.309639 0.690361 0.481380 O\n0.841190 0.158810 0.250000 O\n0.242995 0.247376 0.372304 O\n0.757005 0.752624 0.627696 O\n0.690361 0.309639 0.518620 O\n0.247376 0.242995 0.627696 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Mn",
"O"
],
"chemical_system": "La-Mn-O-Sr",
"density": 6.12992312894919,
"density_atomic": 0.0698267958975279,
"volume": 372.3498932724262,
"volume_molar": 8.624397958682799,
"formula_full": "Sr2 La6 Mn2 O16",
"formula_reduced": "SrLa3MnO8",
"formula_anonymous": "ABC3D8",
"energy": -211.29030651,
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"energy_uncorrected": -196.96230651,
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"updated_at": "2021-11-28T01:38:28.735000Z",
"spacegroup": 63
}
]
}