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{
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"results": [
{
"id": "mp-19315",
"created_at": "2022-09-04T14:40:23.495060Z",
"structure_string": "Sr4 Mn2 W2 O12\n1.0\n0.000000 5.746595 -0.007435\n0.000000 -0.000311 8.129846\n5.790041 0.000000 0.000000\nSr Mn W O\n4 2 2 12\ndirect\n0.006034 0.250742 0.032166 Sr\n0.493966 0.249258 0.532166 Sr\n0.506034 0.750742 0.467834 Sr\n0.993966 0.749258 0.967834 Sr\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.300944 0.462044 0.270155 O\n0.199056 0.037956 0.770155 O\n0.699056 0.537956 0.729845 O\n0.800944 0.962044 0.229845 O\n0.769367 0.534433 0.201841 O\n0.730633 0.965567 0.701841 O\n0.230633 0.465567 0.798159 O\n0.269367 0.034433 0.298159 O\n0.431038 0.735507 0.017150 O\n0.068962 0.764493 0.517150 O\n0.568962 0.264493 0.982850 O\n0.931038 0.235507 0.482850 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"W",
"O"
],
"chemical_system": "Mn-O-Sr-W",
"density": 6.261624824427622,
"density_atomic": 0.07393591781904263,
"volume": 270.50452053560474,
"volume_molar": 8.145081494408611,
"formula_full": "Sr4 Mn2 W2 O12",
"formula_reduced": "Sr2MnWO6",
"formula_anonymous": "ABC2D6",
"energy": -165.74312541999998,
"energy_per_atom": -8.287156270999999,
"energy_above_hull": null,
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"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -145.28712542,
"band_gap": 1.8986,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.426000Z",
"spacegroup": 14
},
{
"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,
"formation_energy_per_atom": null,
"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-1519620",
"created_at": "2022-09-04T14:45:21.301634Z",
"structure_string": "Sr4 Mn4 Bi4 Sb4 O24\n1.0\n8.143822 0.000000 0.000000\n0.000000 8.175812 0.000000\n0.000000 0.000000 8.134837\nSr Mn Bi Sb O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.750000 Mn\n0.250000 0.750000 0.250000 Mn\n0.750000 0.250000 0.250000 Mn\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.000000 Bi\n-0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.750000 0.750000 Sb\n0.009446 0.208998 0.276119 O\n0.990554 0.791002 0.276119 O\n0.990554 0.208998 0.723881 O\n0.009446 0.791002 0.723881 O\n0.284759 0.008941 0.203438 O\n0.284759 0.991059 0.796562 O\n0.715241 0.991059 0.203438 O\n0.715241 0.008941 0.796562 O\n0.212273 0.277581 0.009655 O\n0.787728 0.277581 0.990345 O\n0.212273 0.722419 0.990345 O\n0.787728 0.722419 0.009655 O\n0.490554 0.291002 0.223881 O\n0.509446 0.708998 0.223881 O\n0.509446 0.291002 0.776119 O\n0.490554 0.708998 0.776119 O\n0.215241 0.491059 0.296562 O\n0.215241 0.508941 0.703438 O\n0.784759 0.508941 0.296562 O\n0.784759 0.491059 0.703438 O\n0.287728 0.222419 0.490345 O\n0.712272 0.222419 0.509655 O\n0.287728 0.777581 0.509655 O\n0.712272 0.777581 0.490345 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-Mn-O-Sb-Sr",
"density": 6.981332387197782,
"density_atomic": 0.0738502495004691,
"volume": 541.6366264239354,
"volume_molar": 8.154530012741185,
"formula_full": "Sr4 Mn4 Bi4 Sb4 O24",
"formula_reduced": "SrMnBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -278.58117224,
"energy_per_atom": -6.964529306,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.42117224000003,
"band_gap": 0.6956999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.571000Z",
"spacegroup": 48
},
{
"id": "mp-1232588",
"created_at": "2022-09-04T14:39:44.124262Z",
"structure_string": "Sr4 Mn4 Bi8\n1.0\n4.655378 -0.000232 0.004548\n2.336883 2.323071 11.313094\n0.000574 -9.235251 -0.008961\nSr Mn Bi\n4 4 8\ndirect\n0.882212 0.239598 0.560676 Sr\n0.882273 0.239458 0.060731 Sr\n0.121828 0.760596 0.439740 Sr\n0.121900 0.760448 0.939028 Sr\n0.250119 0.500259 0.627489 Mn\n0.752144 0.499085 0.371488 Mn\n0.249203 0.501388 0.128031 Mn\n0.752881 0.499014 0.872304 Mn\n0.978575 0.999996 0.749786 Bi\n0.978548 0.999996 0.249760 Bi\n0.512640 0.999997 0.000588 Bi\n0.512584 0.000120 0.500554 Bi\n0.677510 0.645256 0.659366 Bi\n0.676449 0.646417 0.159726 Bi\n0.325456 0.354247 0.339976 Bi\n0.325677 0.354124 0.840757 Bi\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"Bi"
],
"chemical_system": "Bi-Mn-Sr",
"density": 7.657525931653069,
"density_atomic": 0.032908580655982164,
"volume": 486.1953837286355,
"volume_molar": 18.299606485475355,
"formula_full": "Sr4 Mn4 Bi8",
"formula_reduced": "SrMnBi2",
"formula_anonymous": "ABC2",
"energy": -78.77970189,
"energy_per_atom": -4.923731368125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -78.77970189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.3120497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.328000Z",
"spacegroup": 44
},
{
"id": "mp-1047085",
"created_at": "2022-09-04T14:44:18.410222Z",
"structure_string": "Sr4 Mn4 Ga2 O14\n1.0\n-2.652312 2.722965 12.462194\n2.652312 -2.722965 12.462194\n2.652312 2.722965 -12.462194\nSr Mn Ga O\n4 4 2 14\ndirect\n0.330519 0.840411 0.485269 Sr\n0.669481 0.154751 0.509893 Sr\n0.855142 0.340411 0.509893 Sr\n0.144858 0.654751 0.485269 Sr\n0.568013 0.570123 0.986911 Mn\n0.916788 0.918898 0.986911 Mn\n0.083212 0.070123 0.002110 Mn\n0.431987 0.418898 0.002110 Mn\n0.680863 0.791549 0.972412 Ga\n0.319137 0.291549 0.110686 Ga\n0.172503 0.170491 0.497122 O\n0.641617 0.151400 0.293017 O\n0.173369 0.670491 0.997988 O\n0.141020 0.159530 0.941192 O\n0.334114 0.331136 0.493127 O\n0.338009 0.831136 0.997022 O\n0.358383 0.651400 0.509783 O\n0.826631 0.824619 0.497122 O\n0.827497 0.324619 0.997988 O\n0.718339 0.659530 0.018511 O\n0.858980 0.800172 0.018511 O\n0.281661 0.300172 0.941192 O\n0.665886 0.159013 0.997022 O\n0.661991 0.659013 0.493127 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 4.306468069074632,
"density_atomic": 0.0666638011551582,
"volume": 360.0154744272779,
"volume_molar": 9.033599428246866,
"formula_full": "Sr4 Mn4 Ga2 O14",
"formula_reduced": "Sr2Mn2GaO7",
"formula_anonymous": "AB2C2D7",
"energy": -173.66779065999998,
"energy_per_atom": -7.236157944166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.37779066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9988971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.904000Z",
"spacegroup": 46
},
{
"id": "mp-1208680",
"created_at": "2022-09-04T14:40:28.051926Z",
"structure_string": "Sr4 Mn4 Ge8 O24\n1.0\n-5.091239 4.767350 1.347244\n-5.081109 -4.765099 -4.261182\n-5.097998 -4.766982 6.958885\nSr Mn Ge O\n4 4 8 24\ndirect\n0.190952 0.279632 0.529744 Sr\n0.191011 0.779585 0.029729 Sr\n0.809032 0.720389 0.470260 Sr\n0.809011 0.220429 0.970283 Sr\n0.593370 0.578448 0.827617 Mn\n0.406403 0.421695 0.172311 Mn\n0.593435 0.078061 0.327947 Mn\n0.406618 0.921851 0.672014 Mn\n0.122162 0.047347 0.266367 Ge\n0.122145 0.547342 0.766379 Ge\n0.877906 0.952652 0.733613 Ge\n0.877810 0.452626 0.233632 Ge\n0.686456 0.298191 0.579215 Ge\n0.686494 0.798249 0.079213 Ge\n0.313554 0.701756 0.420783 Ge\n0.313557 0.201759 0.920794 Ge\n0.875979 0.406624 0.424426 O\n0.876017 0.906687 0.924387 O\n0.124026 0.593388 0.575581 O\n0.124030 0.093319 0.075623 O\n0.168805 0.820954 0.303254 O\n0.168791 0.320964 0.803237 O\n0.831212 0.179045 0.696750 O\n0.831239 0.679038 0.196771 O\n0.301511 0.169281 0.308060 O\n0.301484 0.669333 0.808004 O\n0.698479 0.830715 0.691959 O\n0.698521 0.330660 0.192005 O\n0.522871 0.168256 0.529742 O\n0.522925 0.668306 0.029775 O\n0.477097 0.831746 0.470275 O\n0.477092 0.331697 0.970244 O\n0.886952 0.036726 0.356824 O\n0.886894 0.536737 0.856814 O\n0.113039 0.963296 0.643165 O\n0.113097 0.463249 0.143205 O\n0.606187 0.966398 0.146260 O\n0.606172 0.466354 0.646192 O\n0.393829 0.033573 0.853743 O\n0.393832 0.533641 0.353804 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ge",
"O"
],
"chemical_system": "Ge-Mn-O-Sr",
"density": 4.684160750915881,
"density_atomic": 0.07349177688894244,
"volume": 544.2785804518817,
"volume_molar": 8.19430556033554,
"formula_full": "Sr4 Mn4 Ge8 O24",
"formula_reduced": "SrMn(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -296.97408724,
"energy_per_atom": -7.424352181000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -273.81408724,
"band_gap": 1.5991,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.152000Z",
"spacegroup": 15
},
{
"id": "mp-1029878",
"created_at": "2022-09-04T14:43:52.437372Z",
"structure_string": "Sr4 Mn4 N8\n1.0\n7.573133 0.000000 0.000000\n0.000000 5.751979 0.000000\n0.000000 2.430348 5.440442\nSr Mn N\n4 4 8\ndirect\n0.073993 0.323062 0.319175 Sr\n0.573993 0.176938 0.680825 Sr\n0.926007 0.676938 0.680825 Sr\n0.426007 0.823062 0.319175 Sr\n0.634243 0.416324 0.101720 Mn\n0.134243 0.083676 0.898280 Mn\n0.365757 0.583676 0.898280 Mn\n0.865757 0.916324 0.101720 Mn\n0.084334 0.912932 0.236843 N\n0.584334 0.587068 0.763157 N\n0.915666 0.087068 0.763157 N\n0.415666 0.412932 0.236843 N\n0.709445 0.106057 0.168290 N\n0.209445 0.393943 0.831710 N\n0.290555 0.893943 0.831710 N\n0.790555 0.606057 0.168290 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 4.780665493788201,
"density_atomic": 0.06751385741034582,
"volume": 236.98838451420139,
"volume_molar": 8.919858812684533,
"formula_full": "Sr4 Mn4 N8",
"formula_reduced": "SrMnN2",
"formula_anonymous": "ABC2",
"energy": -123.84551149,
"energy_per_atom": -7.740344468125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -120.95751149,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.96263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.700000Z",
"spacegroup": 14
},
{
"id": "mp-18798",
"created_at": "2022-09-04T14:43:11.807081Z",
"structure_string": "Sr4 Mn4 O10\n1.0\n3.849690 0.000000 0.000000\n0.000000 5.633376 0.000000\n0.000000 0.000000 11.056356\nSr Mn O\n4 4 10\ndirect\n0.000000 0.217585 0.866844 Sr\n0.000000 0.782414 0.133156 Sr\n0.000000 0.717586 0.633156 Sr\n0.000000 0.282415 0.366845 Sr\n0.499999 0.242773 0.623836 Mn\n0.499999 0.757228 0.376164 Mn\n0.499999 0.742773 0.876163 Mn\n0.499999 0.257227 0.123837 Mn\n0.499999 0.500000 0.500000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.972985 0.730507 O\n0.499999 0.027016 0.269493 O\n0.499999 0.472983 0.769493 O\n0.499999 0.527016 0.230507 O\n0.000000 0.201623 0.597928 O\n0.000000 0.798376 0.402072 O\n0.000000 0.298376 0.097928 O\n0.000000 0.701623 0.902072 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.057081869690921,
"density_atomic": 0.07506992690451719,
"volume": 239.77644234147886,
"volume_molar": 8.02204159284672,
"formula_full": "Sr4 Mn4 O10",
"formula_reduced": "Sr2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy": -139.18084003,
"energy_per_atom": -7.732268890555556,
"energy_above_hull": null,
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"energy_uncorrected": -125.63884003,
"band_gap": 0.2297000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000437,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.792000Z",
"spacegroup": 55
},
{
"id": "mp-1281727",
"created_at": "2022-09-04T14:41:18.585433Z",
"structure_string": "Sr4 Mn4 O10\n1.0\n-3.904892 4.193049 -3.705763\n-3.904903 -4.193045 3.705779\n-3.904907 4.193035 3.705764\nSr Mn O\n4 4 10\ndirect\n0.999985 0.000001 0.999998 Sr\n0.500008 0.000007 0.500007 Sr\n0.499987 0.500004 0.000014 Sr\n0.999987 0.499969 0.500009 Sr\n0.999990 0.499983 0.000019 Mn\n0.000014 0.000010 0.500000 Mn\n0.499951 0.499959 0.500006 Mn\n0.500085 0.000030 0.999926 Mn\n0.249989 0.999979 0.250001 O\n0.749990 0.999980 0.750006 O\n0.743450 0.743437 0.499997 O\n0.243431 0.743445 0.000012 O\n0.756582 0.256591 0.000012 O\n0.256599 0.256587 0.499994 O\n0.999997 0.726976 0.773026 O\n0.499979 0.726949 0.273058 O\n0.499980 0.273036 0.726973 O\n0.999996 0.273057 0.226943 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.9960889504244195,
"density_atomic": 0.07416451660881454,
"volume": 242.70366508207889,
"volume_molar": 8.119975744956532,
"formula_full": "Sr4 Mn4 O10",
"formula_reduced": "Sr2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy": -138.1521931,
"energy_per_atom": -7.675121838888889,
"energy_above_hull": null,
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"energy_uncorrected": -124.6101931,
"band_gap": 1.2009,
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"is_magnetic": true,
"total_magnetization": 8e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.058000Z",
"spacegroup": 65
},
{
"id": "mp-1096819",
"created_at": "2022-09-04T14:47:07.686901Z",
"structure_string": "Sr4 Mn4 O10\n1.0\n-4.041602 -4.042051 -0.000002\n-4.041603 4.042052 -0.000004\n-0.000006 0.000001 -7.375583\nSr Mn O\n4 4 10\ndirect\n0.999994 0.000006 0.000000 Sr\n0.999994 0.000006 0.499997 Sr\n0.499999 0.500011 0.999999 Sr\n0.499998 0.500011 0.499997 Sr\n0.500030 0.999949 0.750022 Mn\n0.999967 0.500011 0.750007 Mn\n0.500071 0.999883 0.250015 Mn\n0.999990 0.500030 0.249981 Mn\n0.999997 0.500008 0.999988 O\n0.999997 0.500008 0.500002 O\n0.736166 0.236180 0.250000 O\n0.736166 0.236179 0.750000 O\n0.263825 0.763838 0.249998 O\n0.263826 0.763839 0.749998 O\n0.736130 0.763875 0.249999 O\n0.736133 0.763872 0.749998 O\n0.263858 0.236147 0.249999 O\n0.263858 0.236147 0.749998 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.031815472762447,
"density_atomic": 0.07469485950014529,
"volume": 240.9804385530036,
"volume_molar": 8.062322896515102,
"formula_full": "Sr4 Mn4 O10",
"formula_reduced": "Sr2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy": -138.11817966,
"energy_per_atom": -7.673232203333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -124.57617966,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.428000Z",
"spacegroup": 123
},
{
"id": "mp-1076718",
"created_at": "2022-09-04T14:46:11.114747Z",
"structure_string": "Sr4 Mn4 O10\n1.0\n-0.001262 0.000635 5.452631\n5.452223 0.000847 -0.001264\n-2.724458 8.429414 -2.724713\nSr Mn O\n4 4 10\ndirect\n0.621373 0.117061 0.221195 Sr\n0.400436 0.883388 0.778755 Sr\n0.120278 0.604660 0.221343 Sr\n0.898674 0.395377 0.778630 Sr\n0.218851 0.187825 0.499556 Mn\n0.719583 0.812270 0.500004 Mn\n0.509300 0.500159 0.000349 Mn\n0.009677 0.999959 0.000364 Mn\n0.866193 0.152713 0.499848 O\n0.367084 0.849231 0.499802 O\n0.256311 0.248848 0.996419 O\n0.260717 0.751483 0.004501 O\n0.756568 0.246899 0.996555 O\n0.760603 0.752035 0.003539 O\n0.154444 0.149886 0.281163 O\n0.871971 0.849475 0.718194 O\n0.660478 0.623475 0.283069 O\n0.375462 0.375257 0.716715 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.8382828648630465,
"density_atomic": 0.07182196182852099,
"volume": 250.61972051078223,
"volume_molar": 8.384817967487722,
"formula_full": "Sr4 Mn4 O10",
"formula_reduced": "Sr2Mn2O5",
"formula_anonymous": "A2B2C5",
"energy": -138.74942996,
"energy_per_atom": -7.708301664444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -125.20742996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9991453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.078000Z",
"spacegroup": 46
},
{
"id": "mp-559975",
"created_at": "2022-09-04T14:48:02.833079Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n2.775628 -4.786469 0.000000\n2.775628 4.786469 0.000000\n0.000000 0.000000 9.289115\nSr Mn O\n4 4 12\ndirect\n0.661352 0.338648 0.250000 Sr\n0.019921 0.019921 0.000000 Sr\n0.338648 0.661352 0.750000 Sr\n0.980079 0.980079 0.500000 Sr\n0.686103 0.350836 0.887842 Mn\n0.649164 0.313897 0.612158 Mn\n0.313897 0.649164 0.387842 Mn\n0.350836 0.686103 0.112158 Mn\n0.634624 0.817628 0.267330 O\n0.820074 0.179926 0.750000 O\n0.182372 0.365376 0.232670 O\n0.179926 0.820074 0.250000 O\n0.365376 0.182372 0.767330 O\n0.947896 0.446200 0.478671 O\n0.052104 0.553800 0.978671 O\n0.445849 0.445849 0.500000 O\n0.554151 0.554151 0.000000 O\n0.817628 0.634624 0.732670 O\n0.446200 0.947896 0.521329 O\n0.553800 0.052104 0.021329 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.1280402987673455,
"density_atomic": 0.0810306177916171,
"volume": 246.82028281498637,
"volume_molar": 7.431932427674285,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy": -152.77899313,
"energy_per_atom": -7.6389496565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.86299313,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.944000Z",
"spacegroup": 20
}
]
}