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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10192",
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"results": [
{
"id": "mp-551219",
"created_at": "2022-09-04T14:45:06.344521Z",
"structure_string": "Sr4 Mn2 Cu4 S4 O4\n1.0\n-4.211651 4.014845 0.000309\n-3.828288 -4.016248 1.752370\n-0.279800 3.921448 8.375212\nSr Mn Cu S O\n4 2 4 4 4\ndirect\n0.407051 0.000019 0.185901 Sr\n0.907048 0.500017 0.185908 Sr\n0.092955 0.499999 0.814085 Sr\n0.592953 0.999999 0.814092 Sr\n0.499937 0.500059 0.000095 Mn\n0.999964 0.000058 0.000075 Mn\n0.499967 0.250010 0.500015 Cu\n0.999967 0.750008 0.500015 Cu\n0.000028 0.249995 0.499977 Cu\n0.500028 0.749994 0.499977 Cu\n0.174628 0.999980 0.650813 S\n0.674627 0.499985 0.650812 S\n0.325399 0.500000 0.349133 S\n0.825399 0.999995 0.349132 S\n0.250073 0.749972 0.999993 O\n0.750103 0.249944 0.999992 O\n0.749950 0.749996 0.999993 O\n0.249921 0.249970 0.999993 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Mn-O-S-Sr",
"density": 5.063769154366898,
"density_atomic": 0.06053226176801082,
"volume": 297.3620921184936,
"volume_molar": 9.948646530142529,
"formula_full": "Sr4 Mn2 Cu4 S4 O4",
"formula_reduced": "Sr2MnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -109.19447632,
"energy_per_atom": -6.066359795555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.09847632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.022000Z",
"spacegroup": 139
},
{
"id": "mp-1283659",
"created_at": "2022-09-04T14:40:11.150658Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n5.218256 0.010213 -1.642332\n-0.539255 5.338071 -1.747954\n-0.045580 -0.082962 8.967846\nSr Mn Ga O\n4 2 2 10\ndirect\n0.109736 0.596048 0.222363 Sr\n0.611193 0.130333 0.222932 Sr\n0.887129 0.403642 0.777577 Sr\n0.388236 0.869567 0.777080 Sr\n0.994936 0.999734 0.999865 Mn\n0.494831 0.500009 0.999919 Mn\n0.285837 0.181627 0.503706 Ga\n0.782510 0.818270 0.496371 Ga\n0.628052 0.121432 0.499438 O\n0.128707 0.878997 0.500711 O\n0.337262 0.402127 0.718757 O\n0.619300 0.597973 0.281344 O\n0.821599 0.795243 0.703153 O\n0.119580 0.205040 0.296893 O\n0.254544 0.756390 0.012939 O\n0.237336 0.238155 0.984365 O\n0.737695 0.247976 0.986609 O\n0.755517 0.757438 0.015978 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.074624396478863,
"density_atomic": 0.07239861470531656,
"volume": 248.6235416694814,
"volume_molar": 8.318033134351902,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy": -128.73162426,
"energy_per_atom": -7.151756903333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.52562426,
"band_gap": 1.0254,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0048002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.608000Z",
"spacegroup": 5
},
{
"id": "mp-1282857",
"created_at": "2022-09-04T14:43:15.652179Z",
"structure_string": "Sr4 Mn2 Ga2 O10\n1.0\n-0.000115 -0.038259 5.486675\n-0.000121 5.530922 -0.040535\n-8.266905 -2.746153 -2.722902\nSr Mn Ga O\n4 2 2 10\ndirect\n0.875155 0.402949 0.776617 Sr\n0.124848 0.597064 0.223401 Sr\n0.401528 0.873712 0.776620 Sr\n0.598579 0.126397 0.223405 Sr\n0.000047 0.999969 0.999988 Mn\n0.499861 0.499863 0.999742 Mn\n0.179688 0.185192 0.500035 Ga\n0.820243 0.814803 0.500017 Ga\n0.244034 0.244080 0.988082 O\n0.755975 0.755894 0.011844 O\n0.251802 0.751744 0.003478 O\n0.748216 0.248172 0.996449 O\n0.823968 0.165527 0.500039 O\n0.176054 0.834556 0.500036 O\n0.371497 0.383690 0.707285 O\n0.628489 0.616344 0.292876 O\n0.835687 0.823539 0.707235 O\n0.164328 0.176505 0.292853 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.029356619444603,
"density_atomic": 0.0717527887107181,
"volume": 250.86132989993803,
"volume_molar": 8.392901332767908,
"formula_full": "Sr4 Mn2 Ga2 O10",
"formula_reduced": "Sr2MnGaO5",
"formula_anonymous": "ABC2D5",
"energy": -128.43986691,
"energy_per_atom": -7.135548161666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.23386691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.955000Z",
"spacegroup": 69
},
{
"id": "mp-1218651",
"created_at": "2022-09-04T14:43:54.165316Z",
"structure_string": "Sr4 Mn2 Ga2 O11\n1.0\n0.000000 4.012716 7.565422\n3.946162 0.000000 7.565422\n3.946162 4.012716 0.000000\nSr Mn Ga O\n4 2 2 11\ndirect\n0.621921 0.123718 0.876282 Sr\n0.123718 0.621921 0.378079 Sr\n0.378079 0.876282 0.123718 Sr\n0.876282 0.378079 0.621921 Sr\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.731438 0.268562 0.268562 Ga\n0.268562 0.731438 0.731438 Ga\n0.078052 0.675891 0.921948 O\n0.675891 0.078052 0.324109 O\n0.921948 0.324109 0.078052 O\n0.324109 0.921948 0.675891 O\n0.726995 0.726995 0.273005 O\n0.273005 0.273005 0.726995 O\n0.750000 0.750000 0.750000 O\n0.250000 0.250000 0.250000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O-Sr",
"density": 5.376750207297857,
"density_atomic": 0.07930071689731459,
"volume": 239.5943030956812,
"volume_molar": 7.594055887033137,
"formula_full": "Sr4 Mn2 Ga2 O11",
"formula_reduced": "Sr4Mn2Ga2O11",
"formula_anonymous": "A2B2C4D11",
"energy": -133.77909665,
"energy_per_atom": -7.041005086842106,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.88609664999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0056967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.566000Z",
"spacegroup": 69
},
{
"id": "mp-1095141",
"created_at": "2022-09-04T14:44:10.433684Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.693261 -0.000081 -0.000004\n-2.846594 2.846555 -4.110403\n-2.846755 -8.539723 -4.110331\nSr Mn Mo O\n4 2 2 12\ndirect\n0.249989 0.375005 0.125033 Sr\n0.250005 0.875001 0.624988 Sr\n0.750001 0.624992 0.875001 Sr\n0.750000 0.125010 0.375016 Sr\n0.000018 0.499934 0.499775 Mn\n0.999943 0.000046 0.000062 Mn\n0.499997 0.750003 0.250029 Mo\n0.500041 0.249989 0.749971 Mo\n0.737491 0.393730 0.131278 O\n0.737664 0.893523 0.631174 O\n0.262438 0.606364 0.868781 O\n0.262398 0.106396 0.368809 O\n0.209347 0.159363 0.840617 O\n0.209288 0.659310 0.340689 O\n0.790712 0.340667 0.659330 O\n0.790654 0.840653 0.159413 O\n0.681288 0.104671 0.895318 O\n0.681368 0.604650 0.395356 O\n0.318667 0.395341 0.604649 O\n0.318692 0.895349 0.104710 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.261191862614553,
"density_atomic": 0.07505935498838616,
"volume": 266.45579359287825,
"volume_molar": 8.023171476669095,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -159.00130753000002,
"energy_per_atom": -7.950065376500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.01730753,
"band_gap": 1.1037000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.940000Z",
"spacegroup": 87
},
{
"id": "mp-1272828",
"created_at": "2022-09-04T14:41:16.640005Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.596804 -0.011104 -0.000627\n-2.794045 2.816048 -4.092103\n-2.816483 -8.478290 -4.098751\nSr Mn Mo O\n4 2 2 12\ndirect\n0.253607 0.381555 0.123010 Sr\n0.248306 0.866680 0.624745 Sr\n0.752283 0.624136 0.862385 Sr\n0.744378 0.130135 0.386289 Sr\n0.998627 0.500313 0.500146 Mn\n0.999030 0.000228 0.999757 Mn\n0.497056 0.246051 0.749076 Mo\n0.502919 0.754249 0.251696 Mo\n0.743961 0.399637 0.135073 O\n0.746118 0.868126 0.622045 O\n0.265816 0.612251 0.871470 O\n0.254430 0.114591 0.374567 O\n0.203858 0.159863 0.840738 O\n0.222834 0.646604 0.353727 O\n0.778491 0.345353 0.638349 O\n0.790077 0.852876 0.166557 O\n0.690967 0.100462 0.894397 O\n0.713436 0.603261 0.397472 O\n0.274833 0.399265 0.598206 O\n0.318971 0.894367 0.110293 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.417770821613771,
"density_atomic": 0.07729320541128135,
"volume": 258.75495644900366,
"volume_molar": 7.7912938504178495,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -158.42927653,
"energy_per_atom": -7.9214638265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.44527653,
"band_gap": 0.8079000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9855319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.875000Z",
"spacegroup": 1
},
{
"id": "mp-555929",
"created_at": "2022-09-04T14:45:21.588939Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-0.000034 5.733394 -0.010930\n-0.000019 -0.003447 8.098454\n5.762629 -0.000034 -0.000014\nSr Mn Mo O\n4 2 2 12\ndirect\n0.494387 0.249541 0.531114 Sr\n0.005612 0.250459 0.031114 Sr\n0.994388 0.749541 0.968886 Sr\n0.505613 0.750459 0.468887 Sr\n0.999995 0.500000 0.499996 Mn\n0.500003 0.999995 0.999998 Mn\n0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.000000 Mo\n0.768498 0.534760 0.203686 O\n0.231502 0.465241 0.796315 O\n0.268436 0.034778 0.296406 O\n0.731564 0.965223 0.703595 O\n0.568348 0.264023 0.984652 O\n0.931659 0.236127 0.484650 O\n0.068342 0.763874 0.515351 O\n0.431653 0.735978 0.015348 O\n0.299192 0.462919 0.270229 O\n0.799274 0.962903 0.229839 O\n0.200726 0.037098 0.770161 O\n0.700808 0.537082 0.729771 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.239322020701259,
"density_atomic": 0.07474734655558704,
"volume": 267.5680264466202,
"volume_molar": 8.056661590684747,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -159.13676568,
"energy_per_atom": -7.956838284,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -141.15276568,
"band_gap": 0.9301,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.803000Z",
"spacegroup": 14
},
{
"id": "mp-1279341",
"created_at": "2022-09-04T14:40:43.727942Z",
"structure_string": "Sr4 Mn2 Mo2 O12\n1.0\n-5.626014 0.004912 0.002193\n-0.005228 5.624655 -0.001974\n0.003256 0.004573 -8.265340\nSr Mn Mo O\n4 2 2 12\ndirect\n0.500227 0.000516 0.254654 Sr\n0.000156 0.500250 0.745238 Sr\n0.999752 0.499774 0.254756 Sr\n0.499618 0.999629 0.745323 Sr\n0.500132 0.500084 0.499988 Mn\n0.999955 0.999904 0.000153 Mn\n0.499887 0.499946 0.999999 Mo\n0.999986 0.000031 0.499977 Mo\n0.997238 0.003314 0.266450 O\n0.497783 0.502829 0.764064 O\n0.502333 0.496924 0.235754 O\n0.003191 0.996796 0.733602 O\n0.205724 0.318334 0.999882 O\n0.709070 0.782609 0.499965 O\n0.793892 0.681602 0.000175 O\n0.291112 0.217469 0.500068 O\n0.681836 0.205406 0.998531 O\n0.217001 0.707908 0.498577 O\n0.318090 0.794580 0.001432 O\n0.783018 0.292096 0.501413 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Mo",
"O"
],
"chemical_system": "Mn-Mo-O-Sr",
"density": 5.359846965730524,
"density_atomic": 0.07646682854182499,
"volume": 261.55132076728694,
"volume_molar": 7.875494348122566,
"formula_full": "Sr4 Mn2 Mo2 O12",
"formula_reduced": "Sr2MnMoO6",
"formula_anonymous": "ABC2D6",
"energy": -158.63998343,
"energy_per_atom": -7.9319991715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.65598343,
"band_gap": 0.2631999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9860623,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.810000Z",
"spacegroup": 83
},
{
"id": "mp-1218621",
"created_at": "2022-09-04T14:44:43.287221Z",
"structure_string": "Sr4 Mn2 Nb4 Bi4 O23\n1.0\n0.011666 5.609565 0.000000\n5.610030 0.011666 0.000000\n0.005833 2.804782 -16.298849\nSr Mn Nb Bi O\n4 2 4 4 23\ndirect\n0.431737 0.490624 0.117762 Sr\n0.950501 0.009376 0.117762 Sr\n0.068263 0.009376 0.882238 Sr\n0.549499 0.490624 0.882238 Sr\n0.494892 0.005109 0.000000 Mn\n0.005108 0.494891 0.000000 Mn\n0.123606 0.501730 0.749307 Nb\n0.627087 0.998270 0.749307 Nb\n0.376394 0.998270 0.250693 Nb\n0.872913 0.501730 0.250693 Nb\n0.286770 0.499471 0.424874 Bi\n0.788355 0.000529 0.424874 Bi\n0.213230 0.000529 0.575126 Bi\n0.711645 0.499471 0.575126 Bi\n0.188129 0.495622 0.632419 O\n0.679452 0.004378 0.632419 O\n0.311871 0.004378 0.367581 O\n0.820548 0.495622 0.367581 O\n0.134840 0.250000 0.230321 O\n0.628084 0.750000 0.243833 O\n0.869210 0.250000 0.761579 O\n0.369215 0.750000 0.761571 O\n0.365160 0.250000 0.769679 O\n0.871916 0.750000 0.756167 O\n0.630790 0.250000 0.238421 O\n0.130785 0.750000 0.238429 O\n0.033559 0.525442 0.882025 O\n0.584416 0.974558 0.882025 O\n0.466441 0.974558 0.117975 O\n0.915584 0.525442 0.117975 O\n0.999997 0.250000 0.500005 O\n0.500124 0.750000 0.499752 O\n0.500003 0.250000 0.499995 O\n0.999876 0.750000 0.500248 O\n0.250000 0.250000 0.000000 O\n0.250000 0.750000 0.000000 O\n0.750000 0.250000 0.000000 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Nb",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-Nb-O-Sr",
"density": 6.591038588384413,
"density_atomic": 0.07213604001504668,
"volume": 512.9197553994128,
"volume_molar": 8.34831071783793,
"formula_full": "Sr4 Mn2 Nb4 Bi4 O23",
"formula_reduced": "Sr4Mn2Nb4Bi4O23",
"formula_anonymous": "A2B4C4D4E23",
"energy": -291.34990945,
"energy_per_atom": -7.874321877027026,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -272.21290945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9875258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.552000Z",
"spacegroup": 12
},
{
"id": "mp-1046617",
"created_at": "2022-09-04T14:39:24.180655Z",
"structure_string": "Sr4 Mn2 S2 O6\n1.0\n4.003965 0.000000 0.000000\n0.000000 4.003965 0.000000\n0.000000 0.000000 14.596091\nSr Mn S O\n4 2 2 6\ndirect\n0.500000 0.000000 0.164453 Sr\n0.000000 0.500000 0.835547 Sr\n0.500000 0.000000 0.408591 Sr\n0.000000 0.500000 0.591409 Sr\n0.000000 0.500000 0.292146 Mn\n0.500000 0.000000 0.707854 Mn\n0.000000 0.500000 0.117298 S\n0.500000 0.000000 0.882702 S\n0.500000 0.500000 0.287486 O\n0.000000 0.000000 0.287486 O\n0.000000 0.000000 0.712514 O\n0.500000 0.500000 0.712514 O\n0.000000 0.500000 0.424324 O\n0.500000 0.000000 0.575676 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"S",
"O"
],
"chemical_system": "Mn-O-S-Sr",
"density": 4.40313012559145,
"density_atomic": 0.059828887635653194,
"volume": 234.00067347495073,
"volume_molar": 10.065607097149655,
"formula_full": "Sr4 Mn2 S2 O6",
"formula_reduced": "Sr2MnSO3",
"formula_anonymous": "ABC2D3",
"energy": -96.50175409,
"energy_per_atom": -6.892982435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.03775409,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0996668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.472000Z",
"spacegroup": 129
},
{
"id": "mp-1191740",
"created_at": "2022-09-04T14:39:36.287100Z",
"structure_string": "Sr4 Mn2 Si4 O14\n1.0\n0.000000 0.000000 5.224829\n8.230700 0.000000 0.000000\n0.000000 8.230700 0.000000\nSr Mn Si O\n4 2 4 14\ndirect\n0.504768 0.332456 0.167544 Sr\n0.495232 0.167544 0.667544 Sr\n0.504768 0.667544 0.832456 Sr\n0.495232 0.832456 0.332456 Sr\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.941259 0.137080 0.362920 Si\n0.058741 0.362920 0.862920 Si\n0.941259 0.862920 0.637080 Si\n0.058741 0.637080 0.137080 Si\n0.160139 0.500000 0.000000 O\n0.839861 0.000000 0.500000 O\n0.249985 0.142395 0.357605 O\n0.750015 0.357605 0.857605 O\n0.249985 0.857605 0.642395 O\n0.750015 0.642395 0.142395 O\n0.792308 0.303141 0.422203 O\n0.207692 0.196859 0.922203 O\n0.792308 0.696859 0.577797 O\n0.207692 0.803141 0.077797 O\n0.207692 0.577797 0.303141 O\n0.792308 0.922203 0.803141 O\n0.207692 0.422203 0.696859 O\n0.792308 0.077797 0.196859 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si-Sr",
"density": 3.7375986852429883,
"density_atomic": 0.06780560816255357,
"volume": 353.95302321400425,
"volume_molar": 8.88147886759284,
"formula_full": "Sr4 Mn2 Si4 O14",
"formula_reduced": "Sr2MnSi2O7",
"formula_anonymous": "AB2C2D7",
"energy": -193.10427973,
"energy_per_atom": -8.046011655416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.15027973,
"band_gap": 2.8825,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999767,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.981000Z",
"spacegroup": 113
},
{
"id": "mp-1208762",
"created_at": "2022-09-04T14:41:31.748790Z",
"structure_string": "Sr4 Mn2 Te2 O12\n1.0\n-0.000003 -5.770062 0.000013\n-4.699596 -0.000010 3.346039\n-4.688068 0.000013 -6.627961\nSr Mn Te O\n4 2 2 12\ndirect\n0.524215 0.995209 0.750337 Sr\n0.475700 0.004778 0.249650 Sr\n0.024313 0.504792 0.749643 Sr\n0.975816 0.495233 0.250333 Sr\n0.499812 0.500076 0.000185 Mn\n0.000088 0.000001 0.500021 Mn\n0.999956 0.999996 0.999974 Te\n0.500047 0.499965 0.500026 Te\n0.792367 0.734684 0.966516 O\n0.207748 0.265317 0.033432 O\n0.292260 0.765329 0.533446 O\n0.707652 0.234697 0.466520 O\n0.987894 0.063733 0.762966 O\n0.012113 0.936292 0.237067 O\n0.487908 0.436274 0.737000 O\n0.512102 0.563694 0.262901 O\n0.267218 0.794964 0.965838 O\n0.732850 0.204973 0.034149 O\n0.767152 0.705005 0.534154 O\n0.232790 0.294987 0.465843 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Te",
"O"
],
"chemical_system": "Mn-O-Sr-Te",
"density": 5.576558891826552,
"density_atomic": 0.07400774324039912,
"volume": 270.2419925849389,
"volume_molar": 8.13717659304689,
"formula_full": "Sr4 Mn2 Te2 O12",
"formula_reduced": "Sr2MnTeO6",
"formula_anonymous": "ABC2D6",
"energy": -140.99066623000002,
"energy_per_atom": -7.049533311500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.41066623,
"band_gap": 1.4722,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.458000Z",
"spacegroup": 14
}
]
}