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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10142",
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"results": [
{
"id": "mp-532211",
"created_at": "2022-09-04T14:43:39.340700Z",
"structure_string": "Ba56 Mn4 Sb44\n1.0\n15.899676 -0.008987 -8.271331\n-10.039954 14.782171 -1.378944\n-0.005400 0.008987 17.922462\nBa Mn Sb\n56 4 44\ndirect\n0.144409 0.749566 0.892591 Ba\n0.030979 0.745547 0.627948 Ba\n0.025064 0.782501 0.397411 Ba\n0.089662 0.524518 0.751915 Ba\n0.354433 0.979303 0.874728 Ba\n0.117375 0.371685 0.902458 Ba\n0.104434 0.125364 0.979449 Ba\n0.143662 0.893663 0.250000 Ba\n0.145916 0.625364 0.520931 Ba\n0.411476 0.748868 0.974566 Ba\n0.469227 0.871685 0.754310 Ba\n0.355669 0.875116 0.478305 Ba\n0.356275 0.606275 0.750000 Ba\n0.225081 0.974636 0.061983 Ba\n0.272602 0.337746 0.748085 Ba\n0.226867 0.751281 0.162775 Ba\n0.104575 0.479303 0.124870 Ba\n0.274301 0.436910 0.525434 Ba\n0.144696 0.021941 0.625059 Ba\n0.604434 0.624985 0.979069 Ba\n0.088505 0.064091 0.337225 Ba\n0.117599 0.245547 0.214568 Ba\n0.589662 0.837746 0.565144 Ba\n0.617375 0.714917 0.745690 Ba\n0.356975 0.251818 0.607409 Ba\n0.396882 0.521941 0.377245 Ba\n0.530979 0.903031 0.285432 Ba\n0.617599 0.403031 0.872052 Ba\n0.385372 0.603168 0.128092 Ba\n0.475076 0.103168 0.717796 Ba\n0.604575 0.479705 0.625272 Ba\n0.644409 0.751818 0.394843 Ba\n0.385090 0.282501 0.257437 Ba\n0.412653 0.163098 0.438017 Ba\n0.885372 0.757279 0.782204 Ba\n0.911476 0.936910 0.662609 Ba\n0.396811 0.375116 0.019447 Ba\n0.854433 0.979705 0.375130 Ba\n0.726867 0.564091 0.475586 Ba\n0.896882 0.519637 0.874941 Ba\n0.774301 0.248868 0.837391 Ba\n0.725081 0.663098 0.250445 Ba\n0.772602 0.024518 0.934856 Ba\n0.643663 0.393663 0.250000 Ba\n0.645916 0.124985 0.520551 Ba\n0.525064 0.127653 0.242563 Ba\n0.588505 0.251281 0.024414 Ba\n0.855669 0.377364 0.480553 Ba\n0.856275 0.106275 0.750000 Ba\n0.896811 0.877364 0.021695 Ba\n0.885090 0.627653 0.102589 Ba\n0.644696 0.019637 0.122755 Ba\n0.912653 0.474636 0.249555 Ba\n0.969227 0.214917 0.597542 Ba\n0.975076 0.257279 0.371908 Ba\n0.856975 0.249566 0.105157 Ba\n0.250012 0.125288 0.874836 Mn\n0.250452 0.625288 0.375276 Mn\n0.750012 0.875176 0.124724 Mn\n0.750452 0.375176 0.625164 Mn\n0.121742 0.935980 0.819511 Sb\n0.157821 0.585739 0.979290 Sb\n0.249995 0.743504 0.756395 Sb\n0.250087 0.881947 0.618141 Sb\n0.106652 0.427992 0.585438 Sb\n0.115691 0.180351 0.801219 Sb\n0.007748 0.753827 0.003831 Sb\n0.121316 0.685517 0.301596 Sb\n0.342554 0.521214 0.914562 Sb\n0.116470 0.435980 0.314238 Sb\n0.106449 0.178531 0.520710 Sb\n0.392766 0.979162 0.320819 Sb\n0.379132 0.680351 0.564660 Sb\n0.615691 0.814472 0.935340 Sb\n0.379536 0.199446 0.814774 Sb\n0.487109 0.493600 0.743605 Sb\n0.384673 0.699446 0.319910 Sb\n0.392512 0.913852 0.071899 Sb\n0.341952 0.320613 0.428101 Sb\n0.249996 0.003917 0.496169 Sb\n0.263805 0.381947 0.131860 Sb\n0.842554 0.927992 0.821340 Sb\n0.158342 0.071946 0.179181 Sb\n0.749995 0.993600 0.506491 Sb\n0.763805 0.631946 0.881859 Sb\n0.657821 0.678531 0.572082 Sb\n0.606449 0.085739 0.927918 Sb\n0.616470 0.302231 0.680489 Sb\n0.507748 0.503917 0.253921 Sb\n0.621742 0.802231 0.185762 Sb\n0.383921 0.185517 0.064201 Sb\n0.621316 0.319719 0.435799 Sb\n0.606652 0.021214 0.678660 Sb\n0.892512 0.820613 0.478660 Sb\n0.884673 0.564763 0.685226 Sb\n0.658342 0.479162 0.086396 Sb\n0.879132 0.314472 0.698781 Sb\n0.987109 0.243504 0.993509 Sb\n0.883921 0.819719 0.198404 Sb\n0.892766 0.571947 0.413604 Sb\n0.750087 0.131946 0.368140 Sb\n0.749996 0.253827 0.246079 Sb\n0.841952 0.413852 0.021340 Sb\n0.879536 0.064763 0.180090 Sb\n",
"nsites": 104,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Sb"
],
"chemical_system": "Ba-Mn-Sb",
"density": 5.231807220951236,
"density_atomic": 0.024697144437324327,
"volume": 4211.013150282539,
"volume_molar": 24.383955705012003,
"formula_full": "Ba56 Mn4 Sb44",
"formula_reduced": "Ba14MnSb11",
"formula_anonymous": "AB11C14",
"energy": -437.6856062700001,
"energy_per_atom": -4.208515444903847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -429.23760627,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 16.0826015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.197000Z",
"spacegroup": 45
},
{
"id": "mp-567240",
"created_at": "2022-09-04T14:41:19.081852Z",
"structure_string": "Ba1 Mn2 Sb2\n1.0\n-2.265153 2.265153 6.471912\n2.265153 -2.265153 6.471912\n2.265153 2.265153 -6.471912\nBa Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.636233 0.636233 0.000000 Sb\n0.363767 0.363767 0.000000 Sb\n",
"nsites": 5,
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"elements": [
"Ba",
"Mn",
"Sb"
],
"chemical_system": "Ba-Mn-Sb",
"density": 6.134764734780979,
"density_atomic": 0.03764283516300641,
"volume": 132.8274020367563,
"volume_molar": 15.998106237009143,
"formula_full": "Ba1 Mn2 Sb2",
"formula_reduced": "Ba(MnSb)2",
"formula_anonymous": "AB2C2",
"energy": -30.42811045,
"energy_per_atom": -6.085622089999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -30.044110450000005,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.5778142,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.119000Z",
"spacegroup": 139
},
{
"id": "mp-29206",
"created_at": "2022-09-04T14:39:36.728581Z",
"structure_string": "Ba2 Mn2 Sb4\n1.0\n-2.243418 2.243418 12.355266\n2.243418 -2.243418 12.355266\n2.243418 2.243418 -12.355266\nBa Mn Sb\n2 2 4\ndirect\n0.885258 0.885258 0.000000 Ba\n0.114742 0.114742 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.685328 0.685328 0.000000 Sb\n0.314672 0.314672 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"Sb"
],
"chemical_system": "Ba-Mn-Sb",
"density": 5.818605645977892,
"density_atomic": 0.03216306997328817,
"volume": 248.7324750604995,
"volume_molar": 18.72377470496897,
"formula_full": "Ba2 Mn2 Sb4",
"formula_reduced": "BaMnSb2",
"formula_anonymous": "ABC2",
"energy": -43.06841805,
"energy_per_atom": -5.38355225625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -42.30041805,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.3186086,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.257000Z",
"spacegroup": 139
},
{
"id": "mp-18445",
"created_at": "2022-09-04T14:41:56.891740Z",
"structure_string": "Ba8 Mn4 S12\n1.0\n4.352061 0.000000 0.000000\n0.000000 8.908612 0.000000\n0.000000 0.000000 17.208426\nBa Mn S\n8 4 12\ndirect\n0.250000 0.754867 0.956757 Ba\n0.750000 0.745133 0.456757 Ba\n0.250000 0.254867 0.543243 Ba\n0.750000 0.245133 0.043243 Ba\n0.250000 0.416920 0.285708 Ba\n0.750000 0.583080 0.714292 Ba\n0.250000 0.916920 0.214292 Ba\n0.750000 0.083080 0.785708 Ba\n0.750000 0.128470 0.366452 Mn\n0.750000 0.628470 0.133548 Mn\n0.250000 0.871530 0.633548 Mn\n0.250000 0.371530 0.866452 Mn\n0.250000 0.005593 0.398383 S\n0.750000 0.994407 0.601617 S\n0.250000 0.505593 0.101617 S\n0.750000 0.494407 0.898383 S\n0.250000 0.131048 0.927054 S\n0.750000 0.868952 0.072946 S\n0.250000 0.631048 0.572946 S\n0.750000 0.178079 0.229553 S\n0.250000 0.321921 0.729553 S\n0.750000 0.678079 0.270447 S\n0.250000 0.821921 0.770447 S\n0.750000 0.368952 0.427054 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"S"
],
"chemical_system": "Ba-Mn-S",
"density": 4.238921415264976,
"density_atomic": 0.03597204058962265,
"volume": 667.1848359618389,
"volume_molar": 16.74117081291543,
"formula_full": "Ba8 Mn4 S12",
"formula_reduced": "Ba2MnS3",
"formula_anonymous": "AB2C3",
"energy": -146.36666572,
"energy_per_atom": -6.098611071666666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -140.33066572,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 20.000752,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.993000Z",
"spacegroup": 62
},
{
"id": "mp-8347",
"created_at": "2022-09-04T14:45:28.792796Z",
"structure_string": "Ba4 Mn4 S8\n1.0\n4.160069 0.000000 0.000000\n0.000000 7.194856 0.000000\n0.000000 0.000000 14.024404\nBa Mn S\n4 4 8\ndirect\n0.250000 0.206784 0.871613 Ba\n0.750000 0.793216 0.128387 Ba\n0.250000 0.706784 0.628387 Ba\n0.750000 0.293216 0.371613 Ba\n0.750000 0.731678 0.863899 Mn\n0.750000 0.231678 0.636101 Mn\n0.250000 0.268322 0.136101 Mn\n0.250000 0.768322 0.363899 Mn\n0.250000 0.031245 0.258850 S\n0.750000 0.968755 0.741150 S\n0.250000 0.531245 0.241150 S\n0.750000 0.468755 0.758850 S\n0.250000 0.262277 0.547927 S\n0.750000 0.237723 0.047927 S\n0.250000 0.762277 0.952073 S\n0.750000 0.737723 0.452073 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"S"
],
"chemical_system": "Ba-Mn-S",
"density": 4.057062166591099,
"density_atomic": 0.03811649238030386,
"volume": 419.76580217196914,
"volume_molar": 15.799304668211947,
"formula_full": "Ba4 Mn4 S8",
"formula_reduced": "BaMnS2",
"formula_anonymous": "ABC2",
"energy": -102.79184188,
"energy_per_atom": -6.4244901175,
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"updated_at": "2021-11-28T01:36:57.685000Z",
"spacegroup": 62
},
{
"id": "mp-19857",
"created_at": "2022-09-04T14:45:28.372056Z",
"structure_string": "Ba1 Mn2 P2\n1.0\n-1.909191 1.909191 6.440801\n1.909191 -1.909191 6.440801\n1.909191 1.909191 -6.440801\nBa Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.653520 0.653520 0.000000 P\n0.346480 0.346480 0.000000 P\n",
"nsites": 5,
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"elements": [
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"Mn",
"P"
],
"chemical_system": "Ba-Mn-P",
"density": 5.466641344421592,
"density_atomic": 0.053244085861526416,
"volume": 93.90714328355,
"volume_molar": 11.310440704460532,
"formula_full": "Ba1 Mn2 P2",
"formula_reduced": "Ba(MnP)2",
"formula_anonymous": "AB2C2",
"energy": -34.87936484,
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"energy_above_hull": null,
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"energy_uncorrected": -34.87936484,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:36:54.846000Z",
"spacegroup": 139
},
{
"id": "mp-1048511",
"created_at": "2022-09-04T14:45:14.800351Z",
"structure_string": "Ba2 Mn3 O7\n1.0\n3.793563 0.000000 0.000000\n0.000000 3.822800 0.000000\n0.000000 0.000000 13.432035\nBa Mn O\n2 3 7\ndirect\n0.498351 0.500000 0.307391 Ba\n0.498351 0.500000 0.692609 Ba\n0.998770 0.000000 0.135553 Mn\n0.998770 0.000000 0.864447 Mn\n0.001436 0.000000 0.500000 Mn\n0.034081 0.500000 0.500000 O\n0.499036 0.000000 0.155612 O\n0.499036 0.000000 0.844388 O\n0.999613 0.500000 0.153493 O\n0.999613 0.500000 0.846507 O\n0.994822 0.000000 0.359276 O\n0.994822 0.000000 0.640724 O\n",
"nsites": 12,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 4.701057031890446,
"density_atomic": 0.06160423276263508,
"volume": 194.79180994326708,
"volume_molar": 9.775530819779348,
"formula_full": "Ba2 Mn3 O7",
"formula_reduced": "Ba2Mn3O7",
"formula_anonymous": "A2B3C7",
"energy": -91.38405253,
"energy_per_atom": -7.615337710833334,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.633000Z",
"spacegroup": 25
},
{
"id": "mp-1048508",
"created_at": "2022-09-04T14:45:03.215762Z",
"structure_string": "Ba2 Mn8 O14\n1.0\n3.307601 -5.728934 0.000000\n3.307601 5.728934 0.000000\n0.000000 0.000000 10.828097\nBa Mn O\n2 8 14\ndirect\n0.666667 0.333333 0.463840 Ba\n0.333333 0.666667 0.963840 Ba\n0.830593 0.169407 0.191364 Mn\n0.661187 0.830593 0.691364 Mn\n0.169407 0.338813 0.691364 Mn\n0.830593 0.661187 0.191364 Mn\n0.338813 0.169407 0.191364 Mn\n0.169407 0.830593 0.691364 Mn\n0.000000 0.000000 0.447425 Mn\n0.000000 0.000000 0.947425 Mn\n0.854986 0.145014 0.012919 O\n0.709971 0.854986 0.512919 O\n0.145014 0.290029 0.512919 O\n0.854986 0.709971 0.012919 O\n0.290029 0.145014 0.012919 O\n0.145014 0.854986 0.512919 O\n0.000000 0.000000 0.761500 O\n0.000000 0.000000 0.261500 O\n0.524079 0.475921 0.256146 O\n0.048158 0.524079 0.756146 O\n0.475921 0.951842 0.756146 O\n0.524079 0.048158 0.256146 O\n0.475921 0.524079 0.756146 O\n0.951842 0.475921 0.256146 O\n",
"nsites": 24,
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"elements": [
"Ba",
"Mn",
"O"
],
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"density": 3.7962280605220444,
"density_atomic": 0.05848468766019275,
"volume": 410.3638227401436,
"volume_molar": 10.296952930636808,
"formula_full": "Ba2 Mn8 O14",
"formula_reduced": "BaMn4O7",
"formula_anonymous": "AB4C7",
"energy": -190.64377721,
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"updated_at": "2021-11-28T01:36:50.916000Z",
"spacegroup": 186
},
{
"id": "mp-1228093",
"created_at": "2022-09-04T14:44:30.175470Z",
"structure_string": "Ba2 Mn12 O24\n1.0\n4.464434 7.038589 0.000000\n-4.464434 7.038589 0.000000\n0.000000 6.778717 7.123351\nBa Mn O\n2 12 24\ndirect\n0.717803 0.282197 0.000000 Ba\n0.282197 0.717803 0.000000 Ba\n0.335376 0.335376 0.818504 Mn\n0.001638 0.669962 0.818203 Mn\n0.669962 0.001638 0.818203 Mn\n0.998362 0.330038 0.181797 Mn\n0.664624 0.664624 0.181496 Mn\n0.330038 0.998362 0.181797 Mn\n0.147622 0.147622 0.519212 Mn\n0.482104 0.814386 0.517862 Mn\n0.814386 0.482104 0.517862 Mn\n0.852378 0.852378 0.480788 Mn\n0.185614 0.517896 0.482138 Mn\n0.517896 0.185614 0.482138 Mn\n0.342533 0.342533 0.615780 O\n0.005983 0.672526 0.619134 O\n0.672526 0.005983 0.619134 O\n0.994017 0.327474 0.380866 O\n0.657467 0.657467 0.384220 O\n0.327474 0.994017 0.380866 O\n0.346489 0.346489 0.351339 O\n0.012890 0.676941 0.355783 O\n0.676941 0.012890 0.355783 O\n0.987110 0.323059 0.644217 O\n0.653511 0.653511 0.648661 O\n0.323059 0.987110 0.644217 O\n0.625143 0.289796 0.719836 O\n0.289796 0.625143 0.719836 O\n0.956055 0.956055 0.717916 O\n0.710204 0.374857 0.280164 O\n0.374857 0.710204 0.280164 O\n0.043945 0.043945 0.282084 O\n0.963036 0.627328 0.054345 O\n0.627328 0.963036 0.054345 O\n0.299464 0.299464 0.050562 O\n0.372672 0.036964 0.945655 O\n0.036964 0.372672 0.945655 O\n0.700536 0.700536 0.949438 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 4.8883684204342055,
"density_atomic": 0.08488232035804762,
"volume": 447.6786195253586,
"volume_molar": 7.094693847432089,
"formula_full": "Ba2 Mn12 O24",
"formula_reduced": "BaMn6O12",
"formula_anonymous": "AB6C12",
"energy": -311.66944475,
"energy_per_atom": -8.201827493421053,
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"updated_at": "2021-11-28T01:36:42.964000Z",
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},
{
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"created_at": "2022-09-04T14:42:01.649297Z",
"structure_string": "Ba4 Mn4 O12\n1.0\n-0.000004 0.000002 4.934126\n5.801009 0.000004 -0.000005\n0.000006 10.046398 0.000004\nBa Mn O\n4 4 12\ndirect\n0.249998 0.499999 0.166667 Ba\n0.250002 0.999998 0.666668 Ba\n0.749998 0.000000 0.333332 Ba\n0.750003 0.499999 0.833333 Ba\n0.500000 0.500004 0.500001 Mn\n0.999995 0.000000 0.999998 Mn\n0.500004 0.999999 0.999999 Mn\n0.999997 0.500002 0.500001 Mn\n0.750005 0.500000 0.351476 O\n0.749996 0.000000 0.851475 O\n0.249997 0.722762 0.425734 O\n0.250005 0.222763 0.925733 O\n0.249995 0.277238 0.425734 O\n0.250004 0.777238 0.925733 O\n0.749997 0.222759 0.074266 O\n0.750005 0.722762 0.574267 O\n0.250005 0.000000 0.148525 O\n0.249996 0.499999 0.648526 O\n0.749996 0.777239 0.074266 O\n0.750003 0.277239 0.574267 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Ba-Mn-O",
"density": 5.549735344697134,
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"volume": 287.557139078213,
"volume_molar": 8.658547840359477,
"formula_full": "Ba4 Mn4 O12",
"formula_reduced": "BaMnO3",
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"updated_at": "2021-11-28T01:35:36.116000Z",
"spacegroup": 194
},
{
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"created_at": "2022-09-04T14:41:59.053922Z",
"structure_string": "Ba3 Mn3 O9\n1.0\n7.348827 -2.883041 0.000000\n7.348827 2.883041 0.000000\n6.217772 0.000000 4.863794\nBa Mn O\n3 3 9\ndirect\n0.779254 0.779254 0.779254 Ba\n0.220746 0.220746 0.220746 Ba\n0.000000 0.000000 0.000000 Ba\n0.618797 0.618797 0.618797 Mn\n0.381203 0.381203 0.381203 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.294532 0.294532 0.735789 O\n0.735789 0.294532 0.294532 O\n0.294532 0.735789 0.294532 O\n0.264211 0.705468 0.705468 O\n0.705468 0.705468 0.264211 O\n0.705468 0.264211 0.705468 O\n",
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"elements": [
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],
"chemical_system": "Ba-Mn-O",
"density": 5.807425938119476,
"density_atomic": 0.07278087096658604,
"volume": 206.09811068194765,
"volume_molar": 8.27434555264499,
"formula_full": "Ba3 Mn3 O9",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
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"updated_at": "2021-11-28T01:35:37.671000Z",
"spacegroup": 166
},
{
"id": "mp-541150",
"created_at": "2022-09-04T14:41:46.169571Z",
"structure_string": "Ba1 Mn4 O8\n1.0\n-4.890098 4.890098 1.582115\n4.890098 -4.890098 1.582115\n4.890098 4.890098 -1.582115\nBa Mn O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.349167 0.835504 0.184670 Mn\n0.650833 0.164496 0.815330 Mn\n0.835504 0.650833 0.486337 Mn\n0.164496 0.349167 0.513663 Mn\n0.542375 0.829688 0.372063 O\n0.457625 0.170312 0.627937 O\n0.170312 0.542375 0.712687 O\n0.829688 0.457625 0.287313 O\n0.150972 0.806364 0.957336 O\n0.806364 0.849028 0.655392 O\n0.849028 0.193636 0.042664 O\n0.193636 0.150972 0.344608 O\n",
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"elements": [
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],
"chemical_system": "Ba-Mn-O",
"density": 5.32260539610907,
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"volume": 151.33283387598092,
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"formula_full": "Ba1 Mn4 O8",
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"updated_at": "2021-11-28T01:35:42.012000Z",
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}
]
}