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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=1755",
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"results": [
{
"id": "mp-1218765",
"created_at": "2022-09-04T14:44:41.357966Z",
"structure_string": "Sr4 Mn2 Cr2 O12\n1.0\n-2.749081 4.765535 -0.002657\n-5.458900 -3.155594 2.276968\n-0.037176 -0.025314 6.703238\nSr Mn Cr O\n4 2 2 12\ndirect\n0.999822 0.001362 0.998343 Sr\n0.999810 0.498271 0.501417 Sr\n0.500439 0.250319 0.249775 Sr\n0.500322 0.749668 0.750278 Sr\n0.497929 0.749878 0.249848 Mn\n0.502163 0.249692 0.749889 Mn\n0.000922 0.500843 0.000933 Cr\n0.000819 0.998679 0.498844 Cr\n0.999775 0.250063 0.250073 O\n0.999997 0.749950 0.749889 O\n0.501227 0.999917 0.000172 O\n0.501163 0.500223 0.499864 O\n0.741826 0.374449 0.874426 O\n0.754194 0.875079 0.375112 O\n0.257366 0.626299 0.126230 O\n0.244049 0.125337 0.625423 O\n0.753929 0.624961 0.124874 O\n0.742577 0.126306 0.625834 O\n0.244590 0.375020 0.875024 O\n0.257080 0.873684 0.373753 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O-Sr",
"density": 5.414197036562274,
"density_atomic": 0.08621786413275653,
"volume": 231.9704878005839,
"volume_molar": 6.984794648504896,
"formula_full": "Sr4 Mn2 Cr2 O12",
"formula_reduced": "Sr2MnCrO6",
"formula_anonymous": "ABC2D6",
"energy": -154.12116799,
"energy_per_atom": -7.7060583995,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -138.54316799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9963066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.175000Z",
"spacegroup": 123
},
{
"id": "mp-562909",
"created_at": "2022-09-04T14:39:31.904093Z",
"structure_string": "Sr12 Mn6 Co3 O27\n1.0\n4.848525 -8.397892 0.000000\n4.848525 8.397892 0.000000\n0.000000 0.000000 7.887334\nSr Mn Co O\n12 6 3 27\ndirect\n0.333451 0.309550 0.750201 Sr\n0.666549 0.976099 0.249799 Sr\n0.000000 0.357512 0.500000 Sr\n0.642488 0.642488 0.500000 Sr\n0.309550 0.333451 0.249799 Sr\n0.000000 0.327598 0.000000 Sr\n0.672402 0.672402 0.000000 Sr\n0.976099 0.666549 0.750201 Sr\n0.357512 0.000000 0.500000 Sr\n0.023901 0.690450 0.249799 Sr\n0.327598 0.000000 0.000000 Sr\n0.690450 0.023901 0.750201 Sr\n0.000000 0.000000 0.835360 Mn\n0.666667 0.333333 0.927751 Mn\n0.333333 0.666667 0.072249 Mn\n0.333333 0.666667 0.405386 Mn\n0.000000 0.000000 0.164640 Mn\n0.666667 0.333333 0.594614 Mn\n0.666667 0.333333 0.258974 Co\n0.000000 0.000000 0.500000 Co\n0.333333 0.666667 0.741026 Co\n0.682196 0.181527 0.455651 O\n0.835074 0.842921 0.697857 O\n0.348718 0.829648 0.240441 O\n0.317804 0.499330 0.544349 O\n0.499330 0.317804 0.455651 O\n0.000000 0.847735 0.000000 O\n0.170352 0.519070 0.240441 O\n0.182953 0.679442 0.934127 O\n0.679442 0.182953 0.065873 O\n0.829648 0.348718 0.759559 O\n0.320558 0.503512 0.934127 O\n0.164926 0.007847 0.302143 O\n0.181527 0.682196 0.544349 O\n0.818473 0.500670 0.455651 O\n0.847735 0.000000 0.000000 O\n0.152265 0.152265 0.000000 O\n0.651282 0.480930 0.759559 O\n0.496488 0.817047 0.934127 O\n0.992153 0.157079 0.302143 O\n0.007847 0.164926 0.697857 O\n0.503512 0.320558 0.065873 O\n0.480930 0.651282 0.240441 O\n0.500670 0.818473 0.544349 O\n0.842921 0.835074 0.302143 O\n0.157079 0.992153 0.697857 O\n0.519070 0.170352 0.759559 O\n0.817047 0.496488 0.065873 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O-Sr",
"density": 5.144339783438666,
"density_atomic": 0.07473105016888283,
"volume": 642.3032981809569,
"volume_molar": 8.05841848387078,
"formula_full": "Sr12 Mn6 Co3 O27",
"formula_reduced": "Sr4Mn2CoO9",
"formula_anonymous": "AB2C4D9",
"energy": -350.67785325,
"energy_per_atom": -7.305788609375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.20685325,
"band_gap": 1.4417000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.0002409,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.999000Z",
"spacegroup": 150
},
{
"id": "mp-1197208",
"created_at": "2022-09-04T14:47:24.792833Z",
"structure_string": "Sr18 Mn10 Co4 O42\n1.0\n-4.853042 -8.405715 0.000000\n4.853042 -8.405715 0.000000\n0.000000 -5.603810 12.177724\nSr Mn Co O\n18 10 4 42\ndirect\n0.919720 0.580280 0.250000 Sr\n0.580280 0.250000 0.250000 Sr\n0.250000 0.919720 0.250000 Sr\n0.419720 0.750000 0.750000 Sr\n0.750000 0.080280 0.750000 Sr\n0.080280 0.419720 0.750000 Sr\n0.994294 0.285279 0.083995 Sr\n0.285279 0.636433 0.083995 Sr\n0.636433 0.994294 0.083995 Sr\n0.494294 0.136433 0.583995 Sr\n0.136433 0.785279 0.583995 Sr\n0.785279 0.494294 0.583995 Sr\n0.005706 0.714721 0.916005 Sr\n0.714721 0.363567 0.916005 Sr\n0.363567 0.005706 0.916005 Sr\n0.505706 0.863567 0.416005 Sr\n0.863567 0.214721 0.416005 Sr\n0.214721 0.505706 0.416005 Sr\n0.714367 0.714367 0.856898 Mn\n0.214367 0.214367 0.356898 Mn\n0.285633 0.285633 0.143102 Mn\n0.785633 0.785633 0.643102 Mn\n0.570662 0.570662 0.288013 Mn\n0.070662 0.070662 0.788013 Mn\n0.429338 0.429338 0.711987 Mn\n0.929338 0.929338 0.211987 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.857940 0.857940 0.426180 Co\n0.357940 0.357940 0.926180 Co\n0.142060 0.142060 0.573820 Co\n0.642060 0.642060 0.073820 Co\n0.748728 0.436658 0.200522 O\n0.436658 0.614092 0.200522 O\n0.614092 0.748728 0.200522 O\n0.248728 0.114092 0.700522 O\n0.114092 0.936658 0.700522 O\n0.936658 0.248728 0.700522 O\n0.251272 0.563342 0.799478 O\n0.563342 0.385908 0.799478 O\n0.385908 0.251272 0.799478 O\n0.751272 0.885908 0.299478 O\n0.885908 0.063342 0.299478 O\n0.063342 0.751272 0.299478 O\n0.403530 0.096470 0.250000 O\n0.096470 0.250000 0.250000 O\n0.250000 0.403530 0.250000 O\n0.903530 0.750000 0.750000 O\n0.750000 0.596470 0.750000 O\n0.596470 0.903530 0.750000 O\n0.971197 0.649372 0.553088 O\n0.649372 0.826343 0.553088 O\n0.826343 0.971197 0.553088 O\n0.471197 0.326343 0.053088 O\n0.326343 0.149372 0.053088 O\n0.149372 0.471197 0.053088 O\n0.028803 0.350628 0.446912 O\n0.350628 0.173657 0.446912 O\n0.173657 0.028803 0.446912 O\n0.528803 0.673657 0.946912 O\n0.673657 0.850628 0.946912 O\n0.850628 0.528803 0.946912 O\n0.535181 0.376777 0.401055 O\n0.376777 0.686987 0.401055 O\n0.686987 0.535181 0.401055 O\n0.035181 0.186987 0.901055 O\n0.186987 0.876777 0.901055 O\n0.876777 0.035181 0.901055 O\n0.464819 0.623223 0.598945 O\n0.623223 0.313013 0.598945 O\n0.313013 0.464819 0.598945 O\n0.964819 0.813013 0.098945 O\n0.813013 0.123223 0.098945 O\n0.123223 0.964819 0.098945 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O-Sr",
"density": 5.071253760898381,
"density_atomic": 0.07448123794740956,
"volume": 993.5388030506507,
"volume_molar": 8.085446652017481,
"formula_full": "Sr18 Mn10 Co4 O42",
"formula_reduced": "Sr9Mn5Co2O21",
"formula_anonymous": "A2B5C9D21",
"energy": -545.65471969,
"energy_per_atom": -7.373712428243243,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -493.56871969,
"band_gap": 1.7903999999999995,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 42.0006261,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.698000Z",
"spacegroup": 167
},
{
"id": "mp-23597",
"created_at": "2022-09-04T14:42:23.593949Z",
"structure_string": "Sr4 Mn3 Cl2 O8\n1.0\n3.892164 0.000000 -0.462425\n-0.054940 3.891776 -0.462425\n0.007200 0.007302 16.671708\nSr Mn Cl O\n4 3 2 8\ndirect\n0.678029 0.678028 0.356056 Sr\n0.321973 0.321972 0.643944 Sr\n0.557083 0.557081 0.114165 Sr\n0.442917 0.442918 0.885834 Sr\n0.000000 0.000000 0.000000 Mn\n0.880354 0.880354 0.760707 Mn\n0.119648 0.119646 0.239293 Mn\n0.214502 0.214504 0.429005 Cl\n0.785497 0.785498 0.570995 Cl\n0.128820 0.628820 0.257641 O\n0.371181 0.871179 0.742359 O\n0.999999 0.499999 0.000000 O\n0.500001 0.000000 0.000000 O\n0.628821 0.128820 0.257641 O\n0.059881 0.059883 0.119764 O\n0.871180 0.371180 0.742359 O\n0.940119 0.940119 0.880236 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.695716215726731,
"density_atomic": 0.06731078529211976,
"volume": 252.55982271224863,
"volume_molar": 8.946769427610624,
"formula_full": "Sr4 Mn3 Cl2 O8",
"formula_reduced": "Sr4Mn3(ClO4)2",
"formula_anonymous": "A2B3C4D8",
"energy": -122.02923271,
"energy_per_atom": -7.1781901594117645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -110.30123271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0000471,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.672000Z",
"spacegroup": 139
},
{
"id": "mp-542187",
"created_at": "2022-09-04T14:42:08.572330Z",
"structure_string": "Sr4 Mn2 Cl2 O6\n1.0\n3.921261 -0.000314 0.000001\n-0.000314 3.921141 -0.000001\n0.000004 -0.000004 14.878096\nSr Mn Cl O\n4 2 2 6\ndirect\n0.250001 0.250002 0.090632 Sr\n0.750000 0.750001 0.909372 Sr\n0.250001 0.250001 0.341756 Sr\n0.750001 0.750001 0.658248 Sr\n0.749999 0.750000 0.210417 Mn\n0.249991 0.249992 0.789564 Mn\n0.750001 0.750001 0.422602 Cl\n0.250002 0.250000 0.577402 Cl\n0.750001 0.250000 0.230963 O\n0.250001 0.750001 0.230964 O\n0.250001 0.749998 0.769040 O\n0.749999 0.250001 0.769039 O\n0.750002 0.750001 0.074064 O\n0.250000 0.250001 0.925938 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Sr",
"density": 4.553130336965837,
"density_atomic": 0.06119873884247335,
"volume": 228.7628840855079,
"volume_molar": 9.840302061617804,
"formula_full": "Sr4 Mn2 Cl2 O6",
"formula_reduced": "Sr2MnClO3",
"formula_anonymous": "ABC2D3",
"energy": -96.73585376,
"energy_per_atom": -6.90970384,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -88.04985376,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9829879,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.727000Z",
"spacegroup": 129
},
{
"id": "mp-1218639",
"created_at": "2022-09-04T14:42:47.774442Z",
"structure_string": "Sr5 Mn4 C1 O13\n1.0\n3.824361 0.000000 0.000000\n0.000000 8.940625 0.000000\n0.000000 0.018584 8.967818\nSr Mn C O\n5 4 1 13\ndirect\n0.000000 0.997843 0.000156 Sr\n0.000000 0.175242 0.394872 Sr\n0.000000 0.823071 0.614769 Sr\n0.000000 0.396776 0.821373 Sr\n0.000000 0.613013 0.177971 Sr\n0.500000 0.302172 0.101279 Mn\n0.500000 0.702456 0.904040 Mn\n0.500000 0.101829 0.702087 Mn\n0.500000 0.900841 0.302682 Mn\n0.500000 0.507611 0.512117 C\n0.500000 0.112699 0.201884 O\n0.500000 0.893029 0.804025 O\n0.500000 0.206683 0.889305 O\n0.500000 0.803666 0.112270 O\n0.000000 0.327842 0.145161 O\n0.000000 0.684199 0.876127 O\n0.000000 0.133425 0.681372 O\n0.000000 0.866273 0.325673 O\n0.500000 0.499628 0.998603 O\n0.500000 0.997132 0.503679 O\n0.500000 0.585697 0.635942 O\n0.500000 0.362130 0.519994 O\n0.500000 0.576744 0.384617 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O-Sr",
"density": 4.753991251481509,
"density_atomic": 0.07500915794174687,
"volume": 306.62922543220805,
"volume_molar": 8.028540681228385,
"formula_full": "Sr5 Mn4 C1 O13",
"formula_reduced": "Sr5Mn4CO13",
"formula_anonymous": "AB4C5D13",
"energy": -178.44818739000002,
"energy_per_atom": -7.7586168430434785,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -162.84518739,
"band_gap": 0.6452,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9994847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.590000Z",
"spacegroup": 6
},
{
"id": "mp-1205023",
"created_at": "2022-09-04T14:47:41.987723Z",
"structure_string": "Sr32 Mn16 Bi32 O104\n1.0\n0.000000 -5.532395 0.000000\n-22.224361 0.000000 0.000000\n0.000000 0.000000 -23.774908\nSr Mn Bi O\n32 16 32 104\ndirect\n0.754255 0.383276 0.681102 Sr\n0.254255 0.616724 0.318898 Sr\n0.254255 0.116724 0.181102 Sr\n0.754255 0.883276 0.818898 Sr\n0.247640 0.262656 0.667281 Sr\n0.747640 0.737344 0.332719 Sr\n0.747640 0.237344 0.167281 Sr\n0.247640 0.762656 0.832719 Sr\n0.747042 0.130926 0.648966 Sr\n0.247042 0.869074 0.351034 Sr\n0.247042 0.369074 0.148966 Sr\n0.747042 0.630926 0.851034 Sr\n0.244824 0.990156 0.646839 Sr\n0.744824 0.009844 0.353161 Sr\n0.744824 0.509844 0.146839 Sr\n0.244824 0.490156 0.853161 Sr\n0.749404 0.861505 0.666621 Sr\n0.249404 0.138495 0.333379 Sr\n0.249404 0.638495 0.166621 Sr\n0.749404 0.361505 0.833379 Sr\n0.253416 0.739042 0.680704 Sr\n0.753416 0.260958 0.319296 Sr\n0.753416 0.760958 0.180704 Sr\n0.253416 0.239042 0.819296 Sr\n0.751603 0.619296 0.691470 Sr\n0.251603 0.380704 0.308530 Sr\n0.251603 0.880704 0.191470 Sr\n0.751603 0.119296 0.808530 Sr\n0.251882 0.502139 0.691989 Sr\n0.751882 0.497861 0.308011 Sr\n0.751882 0.997861 0.191989 Sr\n0.251882 0.002139 0.808011 Sr\n0.251269 0.373513 0.761822 Mn\n0.751269 0.626487 0.238178 Mn\n0.751269 0.126487 0.261822 Mn\n0.251269 0.873513 0.738178 Mn\n0.749621 0.248973 0.741579 Mn\n0.249621 0.751027 0.258421 Mn\n0.249621 0.251027 0.241579 Mn\n0.749621 0.748973 0.758421 Mn\n0.248517 0.124834 0.724778 Mn\n0.748517 0.875166 0.275222 Mn\n0.748517 0.375166 0.224778 Mn\n0.248517 0.624834 0.775222 Mn\n0.748208 0.997178 0.723387 Mn\n0.248208 0.002822 0.276613 Mn\n0.248208 0.502822 0.223387 Mn\n0.748208 0.497178 0.776613 Mn\n0.276551 0.391527 0.566280 Bi\n0.776551 0.608473 0.433720 Bi\n0.776551 0.108473 0.066280 Bi\n0.276551 0.891527 0.933720 Bi\n0.728384 0.272325 0.557473 Bi\n0.228384 0.727675 0.442527 Bi\n0.228384 0.227675 0.057473 Bi\n0.728384 0.772325 0.942527 Bi\n0.259893 0.128705 0.553898 Bi\n0.759893 0.871295 0.446102 Bi\n0.759893 0.371295 0.053898 Bi\n0.259893 0.628705 0.946102 Bi\n0.753840 0.997795 0.551523 Bi\n0.253840 0.002204 0.448477 Bi\n0.253840 0.502205 0.051523 Bi\n0.753840 0.497796 0.948477 Bi\n0.231461 0.850614 0.556260 Bi\n0.731461 0.149386 0.443740 Bi\n0.731461 0.649386 0.056260 Bi\n0.231461 0.350614 0.943740 Bi\n0.774528 0.731125 0.567819 Bi\n0.274528 0.268875 0.432181 Bi\n0.274528 0.768875 0.067819 Bi\n0.774528 0.231125 0.932181 Bi\n0.231359 0.616621 0.574382 Bi\n0.731359 0.383379 0.425618 Bi\n0.731359 0.883379 0.074382 Bi\n0.231359 0.116621 0.925618 Bi\n0.730228 0.503859 0.573677 Bi\n0.230228 0.496141 0.426323 Bi\n0.230228 0.996141 0.073677 Bi\n0.730228 0.003859 0.926323 Bi\n0.661134 0.400631 0.572246 O\n0.161134 0.599369 0.427754 O\n0.161134 0.099369 0.072246 O\n0.661134 0.900631 0.927754 O\n0.344449 0.292898 0.560152 O\n0.844449 0.707102 0.439848 O\n0.844449 0.207102 0.060152 O\n0.344449 0.792898 0.939848 O\n0.660553 0.179145 0.548660 O\n0.160553 0.820855 0.451340 O\n0.160553 0.320855 0.048660 O\n0.660553 0.679145 0.951340 O\n0.989575 0.062828 0.582944 O\n0.489575 0.937172 0.417056 O\n0.489575 0.437172 0.082944 O\n0.989575 0.562828 0.917056 O\n0.487263 0.060594 0.584831 O\n0.987263 0.939406 0.415169 O\n0.987263 0.439406 0.084831 O\n0.487263 0.560594 0.915169 O\n0.163939 0.942926 0.546061 O\n0.663939 0.057074 0.453939 O\n0.663939 0.557074 0.046061 O\n0.163939 0.442926 0.953939 O\n0.849629 0.828183 0.566073 O\n0.349629 0.171817 0.433927 O\n0.349629 0.671817 0.066073 O\n0.849629 0.328183 0.933927 O\n0.159445 0.719476 0.572915 O\n0.659445 0.280524 0.427085 O\n0.659445 0.780524 0.072915 O\n0.159445 0.219476 0.927085 O\n0.842718 0.610206 0.579221 O\n0.342718 0.389794 0.420779 O\n0.342718 0.889794 0.079221 O\n0.842718 0.110206 0.920779 O\n0.340789 0.509623 0.579270 O\n0.840789 0.490377 0.420730 O\n0.840789 0.990377 0.079270 O\n0.340789 0.009623 0.920730 O\n0.227296 0.385249 0.653952 O\n0.727296 0.614751 0.346048 O\n0.727296 0.114751 0.153952 O\n0.227296 0.885249 0.846048 O\n0.763520 0.266730 0.646760 O\n0.263520 0.733270 0.353240 O\n0.263520 0.233270 0.146760 O\n0.763520 0.766730 0.853240 O\n0.231991 0.156702 0.638634 O\n0.731991 0.843298 0.361366 O\n0.731991 0.343298 0.138634 O\n0.231991 0.656702 0.861366 O\n0.733013 0.967991 0.638221 O\n0.233013 0.032009 0.361779 O\n0.233013 0.532009 0.138221 O\n0.733013 0.467991 0.861779 O\n0.264410 0.857703 0.649423 O\n0.764410 0.142297 0.350577 O\n0.764410 0.642297 0.149423 O\n0.264410 0.357703 0.850577 O\n0.727502 0.734454 0.656571 O\n0.227502 0.265546 0.343429 O\n0.227502 0.765546 0.156571 O\n0.727502 0.234454 0.843429 O\n0.271109 0.618159 0.662722 O\n0.771109 0.381841 0.337278 O\n0.771109 0.881841 0.162722 O\n0.271109 0.118159 0.837278 O\n0.771617 0.502460 0.661674 O\n0.271617 0.497540 0.338326 O\n0.271617 0.997540 0.161674 O\n0.771617 0.002460 0.838326 O\n0.008656 0.437794 0.762562 O\n0.508656 0.562206 0.237438 O\n0.508656 0.062206 0.262562 O\n0.008656 0.937794 0.737438 O\n0.507379 0.433809 0.758383 O\n0.007379 0.566191 0.241617 O\n0.007379 0.066191 0.258383 O\n0.507379 0.933809 0.741617 O\n0.993083 0.313075 0.751180 O\n0.493083 0.686925 0.248820 O\n0.493083 0.186925 0.251180 O\n0.993083 0.813075 0.748820 O\n0.492592 0.309644 0.748419 O\n0.992592 0.690356 0.251581 O\n0.992592 0.190356 0.248419 O\n0.492592 0.809644 0.751581 O\n0.007500 0.188627 0.741359 O\n0.507500 0.811373 0.258641 O\n0.507500 0.311373 0.241359 O\n0.007500 0.688627 0.758641 O\n0.508386 0.184581 0.737483 O\n0.008386 0.815419 0.262517 O\n0.008386 0.315419 0.237483 O\n0.508386 0.684581 0.762517 O\n0.988832 0.063525 0.726089 O\n0.488832 0.936475 0.273911 O\n0.488832 0.436475 0.226089 O\n0.988832 0.563525 0.773911 O\n0.489693 0.058764 0.726037 O\n0.989693 0.941236 0.273963 O\n0.989693 0.441236 0.226037 O\n0.489693 0.558764 0.773963 O\n",
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"formula_full": "Sr32 Mn16 Bi32 O104",
"formula_reduced": "Sr4Mn2Bi4O13",
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"energy": -1261.51405968,
"energy_per_atom": -6.856054672173912,
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"updated_at": "2021-11-28T01:38:21.379000Z",
"spacegroup": 33
},
{
"id": "mp-546629",
"created_at": "2022-09-04T14:43:20.729015Z",
"structure_string": "Sr2 Mn3 Bi2 O2\n1.0\n-2.188828 2.188828 10.601546\n2.188828 -2.188828 10.601546\n2.188828 2.188828 -10.601546\nSr Mn Bi O\n2 3 2 2\ndirect\n0.575569 0.575569 0.000000 Sr\n0.424431 0.424431 0.000000 Sr\n0.000000 0.000000 0.000000 Mn\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.840772 0.840772 0.000000 Bi\n0.159228 0.159228 0.000000 Bi\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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],
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"density": 6.45700725848536,
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"volume": 203.1666711221576,
"volume_molar": 13.594425458202892,
"formula_full": "Sr2 Mn3 Bi2 O2",
"formula_reduced": "Sr2Mn3(BiO)2",
"formula_anonymous": "A2B2C2D3",
"energy": -59.17764859,
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"updated_at": "2021-11-28T01:36:15.640000Z",
"spacegroup": 139
},
{
"id": "mp-1208471",
"created_at": "2022-09-04T14:41:36.642136Z",
"structure_string": "Sr12 Mn4 Bi4 O24\n1.0\n24.019029 0.000000 0.000000\n0.000000 5.385300 0.000000\n0.000000 5.390158 5.405633\nSr Mn Bi O\n12 4 4 24\ndirect\n0.943838 0.739268 0.254002 Sr\n0.443838 0.260732 0.245998 Sr\n0.556162 0.739268 0.754002 Sr\n0.056162 0.260732 0.745998 Sr\n0.827654 0.245531 0.751300 Sr\n0.327654 0.754469 0.748700 Sr\n0.673054 0.244068 0.752692 Sr\n0.173054 0.755932 0.747308 Sr\n0.326946 0.755932 0.247308 Sr\n0.826946 0.244068 0.252692 Sr\n0.672346 0.245531 0.251300 Sr\n0.172346 0.754469 0.248700 Sr\n0.755268 0.748361 0.250443 Mn\n0.255268 0.251639 0.249557 Mn\n0.244732 0.251639 0.749557 Mn\n0.744732 0.748361 0.750443 Mn\n0.441640 0.213077 0.769257 Bi\n0.941640 0.786923 0.730743 Bi\n0.558360 0.786923 0.230743 Bi\n0.058360 0.213077 0.269257 Bi\n0.561676 0.167922 0.831633 O\n0.061676 0.832078 0.668367 O\n0.250875 0.751306 0.999663 O\n0.750875 0.248694 0.500337 O\n0.555097 0.171557 0.249202 O\n0.055097 0.828443 0.250798 O\n0.749125 0.248694 0.000337 O\n0.249125 0.751306 0.499663 O\n0.438324 0.832078 0.168367 O\n0.938324 0.167922 0.331633 O\n0.846403 0.752474 0.248433 O\n0.346403 0.247526 0.251567 O\n0.750594 0.749437 0.999805 O\n0.250594 0.250563 0.500195 O\n0.649070 0.738388 0.255333 O\n0.149070 0.261612 0.244667 O\n0.249406 0.250563 0.000195 O\n0.749406 0.749437 0.499805 O\n0.944903 0.171557 0.749202 O\n0.444903 0.828443 0.750798 O\n0.350930 0.261612 0.744667 O\n0.850930 0.738388 0.755333 O\n0.653597 0.752474 0.748433 O\n0.153597 0.247526 0.751567 O\n",
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"elements": [
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],
"chemical_system": "Bi-Mn-O-Sr",
"density": 5.91600109588515,
"density_atomic": 0.06292754242964198,
"volume": 699.2168818478095,
"volume_molar": 9.569960191490448,
"formula_full": "Sr12 Mn4 Bi4 O24",
"formula_reduced": "Sr3MnBiO6",
"formula_anonymous": "ABC3D6",
"energy": -304.82079527,
"energy_per_atom": -6.927745347045455,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -281.66079527,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.512000Z",
"spacegroup": 14
},
{
"id": "mp-1218247",
"created_at": "2022-09-04T14:48:31.419663Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n0.000094 3.926401 3.975597\n3.923082 -0.000001 -3.975503\n-0.000097 3.926401 -3.975597\nSr Mn Bi O\n1 2 1 6\ndirect\n0.026647 0.000000 0.973353 Sr\n0.784635 0.500004 0.715365 Mn\n0.284636 0.500004 0.215364 Mn\n0.482242 0.000002 0.517758 Bi\n0.541470 0.999993 0.934346 O\n0.065654 0.999994 0.458530 O\n0.541446 0.475823 0.458554 O\n0.065623 0.524175 0.934377 O\n0.541037 0.500003 0.958961 O\n0.041039 0.500003 0.458962 O\n",
"nsites": 10,
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"elements": [
"Sr",
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],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.812347189880811,
"density_atomic": 0.08164602412207755,
"volume": 122.47993833781726,
"volume_molar": 7.375914289464559,
"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -74.99299844,
"energy_per_atom": -7.499299843999999,
"energy_above_hull": null,
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"energy_uncorrected": -67.53499844,
"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:40:01.904000Z",
"spacegroup": 107
},
{
"id": "mp-1279155",
"created_at": "2022-09-04T14:48:22.299048Z",
"structure_string": "Sr2 Mn4 Bi2 O12\n1.0\n4.064403 3.981141 0.023639\n-3.960612 7.831806 -3.885321\n-4.001150 -0.033703 3.856585\nSr Mn Bi O\n2 4 2 12\ndirect\n0.016531 0.988781 0.041523 Sr\n0.040814 0.484283 0.547768 Sr\n0.775426 0.856682 0.425368 Mn\n0.304588 0.609788 0.186620 Mn\n0.782462 0.355180 0.929958 Mn\n0.280374 0.107918 0.682947 Mn\n0.456575 0.769164 0.750484 Bi\n0.458592 0.270570 0.248705 Bi\n0.484793 0.957340 0.031364 O\n0.515624 0.457843 0.541743 O\n0.101885 0.743164 0.829755 O\n0.088710 0.242836 0.323474 O\n0.510248 0.970050 0.574216 O\n0.556346 0.465987 0.076626 O\n0.083809 0.730180 0.317549 O\n0.059285 0.232285 0.826797 O\n0.595554 0.706634 0.375205 O\n0.551338 0.209332 0.856683 O\n0.014661 0.982931 0.518822 O\n0.071241 0.484620 0.037681 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.792585444576254,
"density_atomic": 0.08140917947971597,
"volume": 245.6725412025953,
"volume_molar": 7.3973731199446435,
"formula_full": "Sr2 Mn4 Bi2 O12",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -150.09763438,
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"energy_above_hull": null,
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"energy_uncorrected": -135.18163438,
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"updated_at": "2021-11-28T01:39:08.679000Z",
"spacegroup": 1
},
{
"id": "mp-1272521",
"created_at": "2022-09-04T14:42:04.603120Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n-4.032938 3.814798 0.000012\n4.143007 3.922808 0.000032\n0.055026 3.868782 -3.869255\nSr Mn Bi O\n1 2 1 6\ndirect\n0.026408 0.026422 0.947177 Sr\n0.787512 0.287496 0.424999 Mn\n0.284899 0.784906 0.430197 Mn\n0.481665 0.481699 0.036603 Bi\n0.040717 0.540691 0.918615 O\n0.542782 0.042772 0.914449 O\n0.552679 0.521156 0.396791 O\n0.050517 0.082051 0.396791 O\n0.065547 0.538392 0.392781 O\n0.541704 0.068844 0.392736 O\n",
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"elements": [
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],
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"density": 6.818658749663496,
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"volume": 122.36656714835323,
"volume_molar": 7.3690869168537505,
"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -74.7717881,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:32.220000Z",
"spacegroup": 5
}
]
}