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{
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"results": [
{
"id": "mp-1205336",
"created_at": "2022-09-04T14:46:55.862530Z",
"structure_string": "Ba4 Mn4 O12\n1.0\n0.000000 0.000000 -4.932068\n-5.027040 -2.902377 0.000000\n-5.026122 8.705536 -0.000001\nBa Mn O\n4 4 12\ndirect\n0.267800 0.000003 0.333326 Ba\n0.267799 0.500003 0.833326 Ba\n0.767802 0.499997 0.166675 Ba\n0.767800 0.999997 0.666673 Ba\n0.533593 0.499999 0.500001 Mn\n0.033597 0.000002 0.999998 Mn\n0.533574 0.999999 0.000003 Mn\n0.033580 0.500002 0.499997 Mn\n0.284202 0.499997 0.351462 O\n0.284210 0.999997 0.851461 O\n0.284208 0.777211 0.074277 O\n0.284203 0.277208 0.574279 O\n0.284210 0.222787 0.074278 O\n0.284205 0.722790 0.574280 O\n0.784200 0.000003 0.148539 O\n0.784207 0.500003 0.648539 O\n0.784207 0.722789 0.425723 O\n0.784200 0.222793 0.925721 O\n0.784209 0.277213 0.425722 O\n0.784202 0.777209 0.925719 O\n",
"nsites": 20,
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"volume": 287.7900078363043,
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"formula_full": "Ba4 Mn4 O12",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy": -153.34586298,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:47.264000Z",
"spacegroup": 186
},
{
"id": "mp-1048172",
"created_at": "2022-09-04T14:47:43.362611Z",
"structure_string": "Ba2 Mn3 O8\n1.0\n3.879854 0.000000 0.000000\n0.000000 3.879854 0.000000\n0.000000 0.000000 12.436460\nBa Mn O\n2 3 8\ndirect\n0.000000 0.000000 0.169152 Ba\n0.000000 0.000000 0.830848 Ba\n0.500000 0.500000 0.331460 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.668540 Mn\n0.500000 0.000000 0.348773 O\n0.000000 0.500000 0.348773 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.180594 O\n0.500000 0.000000 0.651227 O\n0.000000 0.500000 0.651227 O\n0.500000 0.500000 0.819406 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.033375833637677,
"density_atomic": 0.06944097474105629,
"volume": 187.20935367737397,
"volume_molar": 8.672315995644382,
"formula_full": "Ba2 Mn3 O8",
"formula_reduced": "Ba2Mn3O8",
"formula_anonymous": "A2B3C8",
"energy": -97.45610845,
"energy_per_atom": -7.496623726923077,
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"energy_uncorrected": -86.95610845,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.798000Z",
"spacegroup": 123
},
{
"id": "mp-759718",
"created_at": "2022-09-04T14:45:41.097508Z",
"structure_string": "Ba10 Mn10 O28\n1.0\n2.899880 -4.991603 0.000000\n2.899880 4.991603 0.000000\n0.000000 0.000000 23.930859\nBa Mn O\n10 10 28\ndirect\n0.337043 0.669159 0.045999 Ba\n0.331620 0.663055 0.639057 Ba\n0.003122 0.004894 0.750000 Ba\n0.331620 0.663055 0.860943 Ba\n0.004894 0.003122 0.250000 Ba\n0.337043 0.669159 0.454001 Ba\n0.669159 0.337043 0.954001 Ba\n0.669159 0.337043 0.545999 Ba\n0.663055 0.331620 0.139057 Ba\n0.663055 0.331620 0.360943 Ba\n0.345786 0.672536 0.191927 Mn\n0.010656 0.010656 0.500000 Mn\n0.002267 0.004400 0.607379 Mn\n0.002267 0.004400 0.892621 Mn\n0.010656 0.010656 0.000000 Mn\n0.004400 0.002267 0.107379 Mn\n0.004400 0.002267 0.392621 Mn\n0.345786 0.672536 0.308073 Mn\n0.672536 0.345786 0.691927 Mn\n0.672536 0.345786 0.808073 Mn\n0.155484 0.309504 0.551265 O\n0.155484 0.309504 0.948735 O\n0.154284 0.330273 0.152415 O\n0.939440 0.445057 0.750000 O\n0.154284 0.330273 0.347585 O\n0.153770 0.823472 0.152265 O\n0.154570 0.861400 0.947741 O\n0.153770 0.823472 0.347735 O\n0.154570 0.861400 0.552259 O\n0.330273 0.154284 0.847585 O\n0.330273 0.154284 0.652415 O\n0.309504 0.155484 0.051265 O\n0.309504 0.155484 0.448735 O\n0.445057 0.939440 0.250000 O\n0.712529 0.863451 0.551400 O\n0.683019 0.841734 0.148499 O\n0.712529 0.863451 0.948600 O\n0.683019 0.841734 0.351501 O\n0.823472 0.153770 0.652265 O\n0.446175 0.504776 0.250000 O\n0.504776 0.446175 0.750000 O\n0.823472 0.153770 0.847735 O\n0.861400 0.154570 0.447741 O\n0.861400 0.154570 0.052259 O\n0.841734 0.683019 0.648499 O\n0.863451 0.712529 0.448600 O\n0.841734 0.683019 0.851501 O\n0.863451 0.712529 0.051400 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Ba-Mn-O",
"density": 5.682051880941094,
"density_atomic": 0.0692839899465193,
"volume": 692.800747143048,
"volume_molar": 8.691965870684589,
"formula_full": "Ba10 Mn10 O28",
"formula_reduced": "Ba5Mn5O14",
"formula_anonymous": "A5B5C14",
"energy": -368.97394668,
"energy_per_atom": -7.686957222499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -333.05794668,
"band_gap": 0.7272999999999996,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.750000Z",
"spacegroup": 40
},
{
"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,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -275.16544475,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.964000Z",
"spacegroup": 12
},
{
"id": "mp-1182375",
"created_at": "2022-09-04T14:48:21.212188Z",
"structure_string": "Ba1 Mn4 O8\n1.0\n1.581354 6.875929 0.000000\n-1.581354 6.875929 0.000000\n0.000000 6.704910 6.967553\nBa Mn O\n1 4 8\ndirect\n0.500000 0.500000 0.000000 Ba\n0.837453 0.837453 0.815956 Mn\n0.162547 0.162547 0.184044 Mn\n0.649048 0.649048 0.516985 Mn\n0.350952 0.350952 0.483015 Mn\n0.802022 0.802022 0.051357 O\n0.197978 0.197978 0.948643 O\n0.846226 0.846226 0.344615 O\n0.153774 0.153774 0.655385 O\n0.842602 0.842602 0.615195 O\n0.157398 0.157398 0.384805 O\n0.457823 0.457823 0.721876 O\n0.542177 0.542177 0.278124 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.316020819046607,
"density_atomic": 0.08579709645021488,
"volume": 151.52027909876244,
"volume_molar": 7.019049605594103,
"formula_full": "Ba1 Mn4 O8",
"formula_reduced": "BaMn4O8",
"formula_anonymous": "AB4C8",
"energy": -105.57671825,
"energy_per_atom": -8.12128601923077,
"energy_above_hull": null,
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"energy_uncorrected": -93.40871825,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:56.714000Z",
"spacegroup": 12
},
{
"id": "mp-1099904",
"created_at": "2022-09-04T14:48:22.798278Z",
"structure_string": "Ba4 Mn4 O10\n1.0\n-2.904515 2.908295 8.311078\n2.904515 -2.908295 8.311078\n2.904515 2.908295 -8.311078\nBa Mn O\n4 4 10\ndirect\n0.390708 0.887817 0.505665 Ba\n0.617848 0.112183 0.502891 Ba\n0.890708 0.385043 0.502891 Ba\n0.117848 0.614957 0.505665 Ba\n0.004615 0.000000 0.004615 Mn\n0.504615 0.500000 0.004615 Mn\n0.764894 0.799233 0.064127 Mn\n0.264894 0.200767 0.965661 Mn\n0.760425 0.752325 0.504723 O\n0.752398 0.247675 0.008100 O\n0.260425 0.755702 0.008100 O\n0.252398 0.244298 0.504723 O\n0.854088 0.820503 0.957257 O\n0.136754 0.179497 0.033585 O\n0.354088 0.396831 0.033585 O\n0.636754 0.603169 0.957257 O\n0.054271 0.944147 0.498418 O\n0.554271 0.055853 0.110124 O\n",
"nsites": 18,
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"elements": [
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"density": 5.493646485270391,
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"formula_full": "Ba4 Mn4 O10",
"formula_reduced": "Ba2Mn2O5",
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"energy": -137.98220253,
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"updated_at": "2021-11-28T01:39:42.821000Z",
"spacegroup": 46
},
{
"id": "mp-19188",
"created_at": "2022-09-04T14:40:12.135273Z",
"structure_string": "Ba6 Mn4 O16\n1.0\n-3.116687 4.901911 0.000000\n-7.709704 -4.901911 4.214162\n2.289363 4.897368 5.881488\nBa Mn O\n6 4 16\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.311275 0.896242 0.377450 Ba\n0.811275 0.396242 0.377450 Ba\n0.188725 0.603758 0.622550 Ba\n0.688725 0.103758 0.622550 Ba\n0.610812 0.796396 0.778376 Mn\n0.389188 0.203604 0.221624 Mn\n0.110812 0.296396 0.778376 Mn\n0.889188 0.703604 0.221624 Mn\n0.493566 0.835478 0.012868 O\n0.993566 0.335478 0.012868 O\n0.006434 0.664522 0.987132 O\n0.506434 0.164522 0.987132 O\n0.090260 0.636580 0.303017 O\n0.590260 0.136580 0.303017 O\n0.606723 0.636580 0.303017 O\n0.106723 0.136580 0.303017 O\n0.848491 0.878349 0.303017 O\n0.348491 0.378349 0.303017 O\n0.651509 0.621651 0.696983 O\n0.151509 0.121651 0.696983 O\n0.893277 0.863420 0.696983 O\n0.393277 0.363420 0.696983 O\n0.409740 0.863420 0.696983 O\n0.909740 0.363420 0.696983 O\n",
"nsites": 26,
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"O"
],
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"volume": 423.74612126966315,
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"formula_full": "Ba6 Mn4 O16",
"formula_reduced": "Ba3Mn2O8",
"formula_anonymous": "A2B3C8",
"energy": -190.44298947,
"energy_per_atom": -7.324730364230769,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:47.415000Z",
"spacegroup": 166
},
{
"id": "mp-504545",
"created_at": "2022-09-04T14:39:26.229522Z",
"structure_string": "Ba8 Mn4 O12\n1.0\n-5.959033 0.000000 0.000000\n-2.979516 -5.836981 0.000000\n-0.728541 0.000000 12.796994\nBa Mn O\n8 4 12\ndirect\n0.212629 0.585328 0.250428 Ba\n0.797957 0.414672 0.750428 Ba\n0.675949 0.594185 0.052356 Ba\n0.270134 0.405815 0.552356 Ba\n0.582631 0.786077 0.476740 Ba\n0.368708 0.213923 0.976740 Ba\n0.898457 0.204032 0.327008 Ba\n0.102489 0.795968 0.827008 Ba\n0.964228 0.996038 0.066450 Mn\n0.960267 0.003962 0.566450 Mn\n0.521064 0.988797 0.238551 Mn\n0.509861 0.011203 0.738551 Mn\n0.369820 0.192731 0.366178 O\n0.562550 0.807269 0.866178 O\n0.092222 0.659276 0.033780 O\n0.751497 0.340724 0.533780 O\n0.835388 0.798764 0.651666 O\n0.634152 0.201236 0.151666 O\n0.116664 0.797877 0.439134 O\n0.914541 0.202123 0.939134 O\n0.243928 0.984539 0.154253 O\n0.228467 0.015461 0.654253 O\n0.382459 0.348478 0.769754 O\n0.730937 0.651522 0.269754 O\n",
"nsites": 24,
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"density": 5.634531590997767,
"density_atomic": 0.05391867425396245,
"volume": 445.1148017282019,
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"formula_full": "Ba8 Mn4 O12",
"formula_reduced": "Ba2MnO3",
"formula_anonymous": "AB2C3",
"energy": -172.711276,
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"updated_at": "2021-11-28T01:34:39.408000Z",
"spacegroup": 9
},
{
"id": "mp-1238580",
"created_at": "2022-09-04T14:39:20.388816Z",
"structure_string": "Ba2 Mn4 O16\n1.0\n0.000000 7.402741 7.978500\n2.800781 0.000000 7.978500\n2.800781 7.402741 0.000000\nBa Mn O\n2 4 16\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.247065 0.752935 0.247065 Mn\n0.002935 0.497065 0.002935 Mn\n0.752935 0.247065 0.752935 Mn\n0.497065 0.002935 0.497065 Mn\n0.045336 0.683887 0.952933 O\n0.952933 0.317845 0.045336 O\n0.204664 0.566113 0.297067 O\n0.297067 0.932155 0.204664 O\n0.683887 0.045336 0.317845 O\n0.317845 0.952933 0.683887 O\n0.566113 0.204664 0.932155 O\n0.932155 0.297067 0.566113 O\n0.077341 0.896069 0.593224 O\n0.593224 0.433365 0.077341 O\n0.172659 0.353931 0.656776 O\n0.656776 0.816635 0.172659 O\n0.896069 0.077341 0.433365 O\n0.433365 0.593224 0.896069 O\n0.353931 0.172659 0.816635 O\n0.816635 0.656776 0.353931 O\n",
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"elements": [
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],
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"density": 3.7663180526014792,
"density_atomic": 0.06649664425252766,
"volume": 330.843762828885,
"volume_molar": 9.056307769652733,
"formula_full": "Ba2 Mn4 O16",
"formula_reduced": "BaMn2O8",
"formula_anonymous": "AB2C8",
"energy": -148.31951531,
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"updated_at": "2021-11-28T01:34:30.816000Z",
"spacegroup": 70
},
{
"id": "mp-1228224",
"created_at": "2022-09-04T14:44:04.945048Z",
"structure_string": "Ba1 Mn5 O11\n1.0\n1.522964 6.880942 0.000000\n-1.522964 6.880942 0.000000\n0.000000 0.399491 9.588209\nBa Mn O\n1 5 11\ndirect\n0.749978 0.749978 0.115866 Ba\n0.996001 0.996001 0.268051 Mn\n0.002457 0.002457 0.731207 Mn\n0.658036 0.658036 0.486125 Mn\n0.341234 0.341234 0.516078 Mn\n0.499485 0.499485 0.997252 Mn\n0.071942 0.071942 0.088165 O\n0.930484 0.930484 0.916167 O\n0.901343 0.901343 0.420828 O\n0.098184 0.098184 0.576820 O\n0.421798 0.421798 0.170337 O\n0.568666 0.568666 0.819000 O\n0.231490 0.231490 0.394858 O\n0.770000 0.770000 0.596946 O\n0.576406 0.576406 0.335069 O\n0.431644 0.431644 0.657283 O\n0.250854 0.250854 0.909949 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 4.858802526372966,
"density_atomic": 0.08459484498814074,
"volume": 200.95787163370548,
"volume_molar": 7.118803469459915,
"formula_full": "Ba1 Mn5 O11",
"formula_reduced": "BaMn5O11",
"formula_anonymous": "AB5C11",
"energy": -132.81135833,
"energy_per_atom": -7.812432842941176,
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"decomposes_to": null,
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"energy_uncorrected": -116.91435833,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 16.9653869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.115000Z",
"spacegroup": 8
},
{
"id": "mp-557535",
"created_at": "2022-09-04T14:43:18.607397Z",
"structure_string": "Ba8 Mn8 O24\n1.0\n2.886245 -4.999122 0.000000\n2.886245 4.999122 0.000000\n0.000000 0.000000 19.268932\nBa Mn O\n8 8 24\ndirect\n0.333333 0.666667 0.127197 Ba\n0.666667 0.333333 0.627197 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.372803 Ba\n0.000000 0.000000 0.750000 Ba\n0.666667 0.333333 0.872803 Ba\n0.000000 0.000000 0.500000 Ba\n0.333333 0.666667 0.815316 Mn\n0.666667 0.333333 0.052723 Mn\n0.333333 0.666667 0.947277 Mn\n0.333333 0.666667 0.552723 Mn\n0.666667 0.333333 0.184684 Mn\n0.333333 0.666667 0.684684 Mn\n0.666667 0.333333 0.315316 Mn\n0.666667 0.333333 0.447277 Mn\n0.963924 0.481962 0.250000 O\n0.500000 0.500000 0.500000 O\n0.372553 0.186276 0.120530 O\n0.036076 0.518038 0.750000 O\n0.813724 0.627447 0.120530 O\n0.186276 0.372553 0.879470 O\n0.186276 0.813724 0.879470 O\n0.627447 0.813724 0.879470 O\n0.627447 0.813724 0.620530 O\n0.500000 0.000000 0.500000 O\n0.481962 0.963924 0.750000 O\n0.518038 0.036076 0.250000 O\n0.186276 0.813724 0.620530 O\n0.186276 0.372553 0.620530 O\n0.500000 0.000000 0.000000 O\n0.372553 0.186276 0.379470 O\n0.481962 0.518038 0.750000 O\n0.813724 0.186276 0.379470 O\n0.518038 0.481962 0.250000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.813724 0.186276 0.120530 O\n0.813724 0.627447 0.379470 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-O",
"density": 5.739999491773087,
"density_atomic": 0.07193585709235643,
"volume": 556.0509267116275,
"volume_molar": 8.371542375964662,
"formula_full": "Ba8 Mn8 O24",
"formula_reduced": "BaMnO3",
"formula_anonymous": "ABC3",
"energy": -306.10467823,
"energy_per_atom": -7.65261695575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.27267823,
"band_gap": 0.7368999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0000234,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.453000Z",
"spacegroup": 194
},
{
"id": "mp-1247297",
"created_at": "2022-09-04T14:47:26.005762Z",
"structure_string": "Ba6 Mn6 N10\n1.0\n5.934069 -0.015770 -0.046626\n-0.694165 7.442275 0.008216\n-2.122557 -3.031805 8.200763\nBa Mn N\n6 6 10\ndirect\n0.808467 0.421249 0.610285 Ba\n0.191533 0.578751 0.389715 Ba\n0.652954 0.863667 0.878267 Ba\n0.347046 0.136333 0.121733 Ba\n0.655145 0.680680 0.215350 Ba\n0.344855 0.319320 0.784650 Ba\n0.914936 0.323761 0.973274 Mn\n0.085064 0.676239 0.026726 Mn\n0.679440 0.971386 0.578584 Mn\n0.320560 0.028614 0.421416 Mn\n0.073504 0.890469 0.710526 Mn\n0.926496 0.109531 0.289474 Mn\n0.910731 0.124423 0.780280 N\n0.089269 0.875577 0.219720 N\n0.786196 0.745951 0.540911 N\n0.213804 0.254049 0.459089 N\n0.780824 0.527156 0.930636 N\n0.219176 0.472844 0.069364 N\n0.367031 0.952551 0.605060 N\n0.632969 0.047449 0.394940 N\n0.146733 0.775728 0.876725 N\n0.853267 0.224272 0.123275 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.94412203390506,
"density_atomic": 0.060875433498210285,
"volume": 361.39373037313635,
"volume_molar": 9.892563245856884,
"formula_full": "Ba6 Mn6 N10",
"formula_reduced": "Ba3Mn3N5",
"formula_anonymous": "A3B3C5",
"energy": -164.61481358,
"energy_per_atom": -7.482491526363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.00481358,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.451000Z",
"spacegroup": 2
}
]
}