HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10130",
"results": [
{
"id": "mp-1233225",
"created_at": "2022-09-04T14:41:49.087422Z",
"structure_string": "Mg1 Mn3 O6\n1.0\n0.000000 -2.967266 0.000000\n-0.108013 0.000000 -5.125349\n7.080390 1.483633 0.329257\nMg Mn O\n1 3 6\ndirect\n0.303862 0.002269 0.607723 Mg\n0.007719 0.991604 0.015437 Mn\n0.655187 0.490935 0.310374 Mn\n0.347581 0.505867 0.695161 Mn\n0.878161 0.243986 0.756320 O\n0.102698 0.670014 0.205397 O\n0.564869 0.187518 0.129738 O\n0.436172 0.809224 0.872344 O\n0.772492 0.728595 0.544984 O\n0.222927 0.314432 0.445854 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.401074262300239,
"density_atomic": 0.09295841670621133,
"volume": 107.5749819578394,
"volume_molar": 6.478316836045693,
"formula_full": "Mg1 Mn3 O6",
"formula_reduced": "MgMn3O6",
"formula_anonymous": "AB3C6",
"energy": -79.49672318,
"energy_per_atom": -7.949672318,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.37072318,
"band_gap": 0.0001000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.0013307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.645000Z",
"spacegroup": 8
},
{
"id": "mp-1045866",
"created_at": "2022-09-04T14:40:59.381770Z",
"structure_string": "Mg2 Mn9 O13\n1.0\n3.038712 0.000000 0.000000\n-1.403361 5.142948 0.000000\n-0.084631 -2.463872 16.969239\nMg Mn O\n2 9 13\ndirect\n0.225198 0.434225 0.227635 Mg\n0.774802 0.565775 0.772365 Mg\n0.500000 0.000000 0.500000 Mn\n0.647094 0.293325 0.041024 Mn\n0.352906 0.706675 0.958976 Mn\n0.751396 0.498016 0.415548 Mn\n0.248604 0.501984 0.584452 Mn\n0.940374 0.873815 0.128278 Mn\n0.059626 0.126185 0.871722 Mn\n0.995494 0.983543 0.326733 Mn\n0.004506 0.016457 0.673267 Mn\n0.000000 0.000000 0.000000 O\n0.852833 0.705841 0.228278 O\n0.147167 0.294159 0.771722 O\n0.299578 0.593071 0.066502 O\n0.700422 0.406929 0.933498 O\n0.590715 0.181791 0.144583 O\n0.409285 0.818209 0.855417 O\n0.631063 0.260672 0.307526 O\n0.368937 0.739328 0.692474 O\n0.392555 0.786346 0.393262 O\n0.607445 0.213654 0.606738 O\n0.135000 0.255620 0.464792 O\n0.865000 0.744380 0.535208 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.702738040829432,
"density_atomic": 0.09049971283365289,
"volume": 265.19421165583464,
"volume_molar": 6.654320297202788,
"formula_full": "Mg2 Mn9 O13",
"formula_reduced": "Mg2Mn9O13",
"formula_anonymous": "A2B9C13",
"energy": -200.51419215,
"energy_per_atom": -8.35475800625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.57119215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 41.0152291,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.318000Z",
"spacegroup": 2
},
{
"id": "mp-1383517",
"created_at": "2022-09-04T14:48:04.526893Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n3.571360 0.000000 0.000000\n0.000000 4.433364 0.000000\n0.000000 0.000000 11.481643\nMg Mn O\n2 4 10\ndirect\n0.500000 0.115723 0.000000 Mg\n0.000000 0.884277 0.500000 Mg\n0.000000 0.566974 0.847342 Mn\n0.500000 0.433026 0.652658 Mn\n0.500000 0.433026 0.347342 Mn\n0.000000 0.566974 0.152658 Mn\n0.500000 0.573687 0.500000 O\n0.000000 0.426313 0.000000 O\n0.500000 0.454651 0.826603 O\n0.000000 0.545349 0.673397 O\n0.500000 0.454651 0.173397 O\n0.000000 0.545349 0.326603 O\n0.000000 0.952177 0.116668 O\n0.500000 0.047823 0.383332 O\n0.500000 0.047823 0.616668 O\n0.000000 0.952177 0.883332 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.912758780863375,
"density_atomic": 0.088013425262792,
"volume": 181.79044790299804,
"volume_molar": 6.842297913095632,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy": -119.10296135,
"energy_per_atom": -7.443935084375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.56096135,
"band_gap": 0.2393,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0001462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.144000Z",
"spacegroup": 59
},
{
"id": "mp-1003735",
"created_at": "2022-09-04T14:48:22.319118Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n2.849653 5.021087 0.000000\n-2.849653 5.021087 0.000000\n0.000000 0.068393 10.901581\nMg Mn O\n4 8 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.987561 0.012439 0.250000 Mg\n0.012439 0.987561 0.750000 Mg\n0.279753 0.776225 0.017652 Mn\n0.223775 0.720247 0.482348 Mn\n0.720247 0.223775 0.982348 Mn\n0.776225 0.279753 0.517652 Mn\n0.714466 0.731311 0.764487 Mn\n0.731311 0.714466 0.264487 Mn\n0.268689 0.285534 0.735513 Mn\n0.285534 0.268689 0.235513 Mn\n0.914282 0.886329 0.079134 O\n0.886329 0.914282 0.579134 O\n0.374371 0.403051 0.065981 O\n0.403051 0.374371 0.565981 O\n0.378226 0.903876 0.183040 O\n0.378185 0.920685 0.672139 O\n0.920685 0.378185 0.172139 O\n0.903876 0.378226 0.683040 O\n0.625629 0.596949 0.934019 O\n0.596949 0.625629 0.434019 O\n0.085718 0.113671 0.920866 O\n0.113671 0.085718 0.420866 O\n0.079315 0.621815 0.827861 O\n0.096124 0.621774 0.316960 O\n0.621774 0.096124 0.816960 O\n0.621815 0.079315 0.327861 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.219459614387738,
"density_atomic": 0.08975296898183979,
"volume": 311.9673958157907,
"volume_molar": 6.709684179047596,
"formula_full": "Mg4 Mn8 O16",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -223.01500309,
"energy_per_atom": -7.964821538928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.67900309,
"band_gap": 1.1923999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9970327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:37.248000Z",
"spacegroup": 15
},
{
"id": "mp-770581",
"created_at": "2022-09-04T14:47:38.992332Z",
"structure_string": "Mg4 Mn4 O12\n1.0\n5.008101 0.000000 0.000000\n0.000000 5.227589 0.000000\n0.000000 0.000000 7.304405\nMg Mn O\n4 4 12\ndirect\n0.017511 0.935144 0.750000 Mg\n0.482489 0.435144 0.750000 Mg\n0.517511 0.564856 0.250000 Mg\n0.982489 0.064856 0.250000 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.126822 0.443215 0.250000 O\n0.187066 0.192993 0.566404 O\n0.187066 0.192993 0.933596 O\n0.312934 0.692993 0.566404 O\n0.312934 0.692993 0.933596 O\n0.373178 0.943215 0.250000 O\n0.626822 0.056785 0.750000 O\n0.687066 0.307007 0.066404 O\n0.687066 0.307007 0.433596 O\n0.812934 0.807007 0.066404 O\n0.812934 0.807007 0.433596 O\n0.873178 0.556785 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.419545803881975,
"density_atomic": 0.10458529754028352,
"volume": 191.23146819271153,
"volume_molar": 5.758114095989859,
"formula_full": "Mg4 Mn4 O12",
"formula_reduced": "MgMnO3",
"formula_anonymous": "ABC3",
"energy": -148.32558242,
"energy_per_atom": -7.416279121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.40958242,
"band_gap": 0.2597,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9977123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.154000Z",
"spacegroup": 62
},
{
"id": "mp-1408906",
"created_at": "2022-09-04T14:39:12.194092Z",
"structure_string": "Mg1 Mn4 O8\n1.0\n-5.279668 0.000000 0.000000\n1.807911 5.531635 0.000000\n-0.045743 -2.897729 -5.226537\nMg Mn O\n1 4 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.958058 0.741460 0.742809 Mn\n0.002198 0.747801 0.253744 Mn\n0.041942 0.258540 0.257191 Mn\n0.997802 0.252199 0.746256 Mn\n0.781048 0.365816 0.865121 O\n0.795579 0.908557 0.335022 O\n0.819244 0.373725 0.392899 O\n0.784266 0.877834 0.903018 O\n0.180756 0.626275 0.607101 O\n0.215734 0.122166 0.096982 O\n0.218952 0.634184 0.134879 O\n0.204421 0.091443 0.664978 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.047427010928092,
"density_atomic": 0.08516657718807144,
"volume": 152.64203903947427,
"volume_molar": 7.071014192224071,
"formula_full": "Mg1 Mn4 O8",
"formula_reduced": "MgMn4O8",
"formula_anonymous": "AB4C8",
"energy": -76.75960942,
"energy_per_atom": -5.904585340000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.59160942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6212019,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.312000Z",
"spacegroup": 2
},
{
"id": "mp-753303",
"created_at": "2022-09-04T14:39:05.796768Z",
"structure_string": "Mg22 Mn4 O26\n1.0\n4.302114 -2.148576 -2.148576\n-2.151056 12.925161 -15.073737\n4.302114 2.148576 2.148576\nMg Mn O\n22 4 26\ndirect\n0.500000 0.307692 0.653846 Mg\n0.000000 0.307692 0.153846 Mg\n0.500000 0.156039 0.578019 Mg\n0.000000 0.156039 0.078019 Mg\n0.500000 0.459346 0.729673 Mg\n0.000000 0.459346 0.229673 Mg\n0.500000 0.770635 0.885318 Mg\n0.000000 0.770635 0.385318 Mg\n0.500000 0.844750 0.422375 Mg\n0.000000 0.844750 0.922375 Mg\n0.500000 0.921744 0.960871 Mg\n0.000000 0.921744 0.460871 Mg\n0.500000 0.693641 0.346821 Mg\n0.000000 0.693641 0.846821 Mg\n0.500000 0.231508 0.115754 Mg\n0.000000 0.231508 0.615754 Mg\n0.500000 0.383877 0.191938 Mg\n0.000000 0.383877 0.691938 Mg\n0.500000 0.079156 0.039578 Mg\n0.000000 0.079156 0.539578 Mg\n0.500000 0.536229 0.268114 Mg\n0.000000 0.536229 0.768114 Mg\n0.000000 0.615218 0.307609 Mn\n0.500000 0.000166 0.500083 Mn\n0.500000 0.615218 0.807609 Mn\n0.000000 0.000166 0.000083 Mn\n0.750000 0.307692 0.903846 O\n0.250000 0.307692 0.403846 O\n0.250000 0.082228 0.791114 O\n0.750000 0.082228 0.291114 O\n0.250000 0.533157 0.016578 O\n0.750000 0.533157 0.516578 O\n0.250000 0.383482 0.941740 O\n0.750000 0.383482 0.441740 O\n0.250000 0.231903 0.865952 O\n0.750000 0.231903 0.365952 O\n0.250000 0.697169 0.098584 O\n0.750000 0.697169 0.598584 O\n0.750000 0.918216 0.209109 O\n0.250000 0.918216 0.709109 O\n0.250000 0.846501 0.173251 O\n0.750000 0.846501 0.673251 O\n0.750000 0.768883 0.134442 O\n0.250000 0.768883 0.634442 O\n0.750000 0.460393 0.980197 O\n0.250000 0.460393 0.480197 O\n0.750000 0.154992 0.827495 O\n0.250000 0.154992 0.327495 O\n0.750000 0.615025 0.057513 O\n0.250000 0.615025 0.557513 O\n0.750000 0.000360 0.750179 O\n0.250000 0.000360 0.250179 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.7548891949144627,
"density_atomic": 0.10046152695368656,
"volume": 517.6110853259512,
"volume_molar": 5.994474643787016,
"formula_full": "Mg22 Mn4 O26",
"formula_reduced": "Mg11Mn2O13",
"formula_anonymous": "A2B11C13",
"energy": -350.12207695,
"energy_per_atom": -6.733116864423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -325.58807695,
"band_gap": 1.9335000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.467000Z",
"spacegroup": 71
},
{
"id": "mp-1360882",
"created_at": "2022-09-04T14:45:04.644706Z",
"structure_string": "Mg6 Mn12 O24\n1.0\n3.031605 5.227598 0.000000\n-3.031605 5.227598 0.000000\n0.000000 0.005257 14.820430\nMg Mn O\n6 12 24\ndirect\n0.842679 0.842679 0.958094 Mg\n0.165526 0.165526 0.666547 Mg\n0.333143 0.333143 0.833164 Mg\n0.833984 0.833984 0.333894 Mg\n0.999785 0.999785 0.500166 Mg\n0.666931 0.666931 0.166560 Mg\n0.834426 0.335040 0.833028 Mn\n0.506870 0.506870 0.620913 Mn\n0.499928 0.499928 0.998990 Mn\n0.335040 0.834426 0.833028 Mn\n0.500161 0.999609 0.500292 Mn\n0.174236 0.174236 0.291131 Mn\n0.999609 0.500161 0.500292 Mn\n0.163026 0.666071 0.166939 Mn\n0.825831 0.825831 0.709789 Mn\n0.666071 0.163026 0.166939 Mn\n0.492585 0.492585 0.378324 Mn\n0.160110 0.160110 0.042171 Mn\n0.658804 0.207752 0.914937 O\n0.507257 0.507257 0.762503 O\n0.207752 0.658804 0.914937 O\n0.657130 0.657130 0.913948 O\n0.329624 0.868559 0.576012 O\n0.008822 0.008822 0.759489 O\n0.174717 0.174717 0.429167 O\n0.466971 0.002730 0.758898 O\n0.868559 0.329624 0.576012 O\n0.159014 0.159014 0.904316 O\n0.320261 0.320261 0.574550 O\n0.002730 0.466971 0.758898 O\n0.995909 0.532581 0.241069 O\n0.679191 0.679191 0.425960 O\n0.131539 0.669627 0.424392 O\n0.532581 0.995909 0.241069 O\n0.840351 0.840351 0.094206 O\n0.825072 0.825072 0.571536 O\n0.991170 0.991170 0.241459 O\n0.669627 0.131539 0.424392 O\n0.345891 0.345891 0.085682 O\n0.788367 0.342597 0.084787 O\n0.491261 0.491261 0.236633 O\n0.342597 0.788367 0.084787 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.203312731533722,
"density_atomic": 0.08940950540868264,
"volume": 469.74871192969755,
"volume_molar": 6.735459202546023,
"formula_full": "Mg6 Mn12 O24",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -334.76900793000004,
"energy_per_atom": -7.970690665000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -298.26500793,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.0002551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.015000Z",
"spacegroup": 8
},
{
"id": "mp-1003484",
"created_at": "2022-09-04T14:44:17.748235Z",
"structure_string": "Mg1 Mn4 O8\n1.0\n-0.007597 0.016832 -5.279636\n-2.516364 4.933198 -1.788573\n3.338798 4.956494 -0.034745\nMg Mn O\n1 4 8\ndirect\n0.500007 0.499979 0.250014 Mg\n0.041949 0.984248 0.507205 Mn\n0.997810 0.501524 0.996270 Mn\n0.957989 0.015839 0.992795 Mn\n0.002174 0.498448 0.503709 Mn\n0.218959 0.730917 0.384893 O\n0.204428 0.743558 0.914993 O\n0.180764 0.266603 0.857116 O\n0.215741 0.280831 0.346996 O\n0.819250 0.733409 0.642884 O\n0.784261 0.719168 0.153009 O\n0.781068 0.269054 0.115099 O\n0.795611 0.256407 0.585017 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.047427306085173,
"density_atomic": 0.08516658339881181,
"volume": 152.64202790811223,
"volume_molar": 7.071013676573078,
"formula_full": "Mg1 Mn4 O8",
"formula_reduced": "MgMn4O8",
"formula_anonymous": "AB4C8",
"energy": -104.74808607,
"energy_per_atom": -8.057545082307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.58008607,
"band_gap": 0.5202,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9981323,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.115000Z",
"spacegroup": 2
},
{
"id": "mp-1016144",
"created_at": "2022-09-04T14:39:34.434830Z",
"structure_string": "Mg1 Mn3 O6\n1.0\n1.477725 7.020389 0.000000\n-1.477725 7.020389 0.000000\n0.000000 0.487441 5.141983\nMg Mn O\n1 3 6\ndirect\n0.191202 0.191202 0.940337 Mg\n0.990371 0.990371 0.999322 Mn\n0.349285 0.349285 0.533342 Mn\n0.649975 0.649975 0.457463 Mn\n0.091415 0.091415 0.663256 O\n0.911676 0.911676 0.346346 O\n0.423653 0.423653 0.859437 O\n0.582450 0.582450 0.115468 O\n0.227642 0.227642 0.297749 O\n0.760645 0.760645 0.717837 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.43766535314218,
"density_atomic": 0.09373128479874886,
"volume": 106.68796465844969,
"volume_molar": 6.424899405710893,
"formula_full": "Mg1 Mn3 O6",
"formula_reduced": "MgMn3O6",
"formula_anonymous": "AB3C6",
"energy": -79.85580803,
"energy_per_atom": -7.985580803,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.72980803,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.00006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.695000Z",
"spacegroup": 8
},
{
"id": "mp-1367812",
"created_at": "2022-09-04T14:44:42.428433Z",
"structure_string": "Mg4 Mn6 O14\n1.0\n6.105080 0.000000 0.000000\n-1.561131 6.358864 0.000000\n-1.275088 -3.616973 6.846226\nMg Mn O\n4 6 14\ndirect\n0.322199 0.163959 0.531308 Mg\n0.158194 0.726571 0.931344 Mg\n0.841806 0.273429 0.068656 Mg\n0.677801 0.836041 0.468692 Mg\n0.775189 0.430180 0.355759 Mn\n0.920438 0.145335 0.773979 Mn\n0.359410 0.281988 0.078638 Mn\n0.640590 0.718012 0.921362 Mn\n0.079562 0.854665 0.226021 Mn\n0.224811 0.569820 0.644241 Mn\n0.100196 0.287407 0.589692 O\n0.463575 0.571566 0.113393 O\n0.651358 0.297559 0.569473 O\n0.773435 0.995378 0.983452 O\n0.915386 0.576050 0.124616 O\n0.170131 0.171358 0.256759 O\n0.346488 0.836126 0.727273 O\n0.653512 0.163874 0.272727 O\n0.829869 0.828642 0.743241 O\n0.084614 0.423950 0.875384 O\n0.226565 0.004622 0.016548 O\n0.348642 0.702441 0.430527 O\n0.536425 0.428434 0.886607 O\n0.899804 0.712593 0.410308 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.066315947850689,
"density_atomic": 0.09030028361742068,
"volume": 265.7798961261505,
"volume_molar": 6.669016440207737,
"formula_full": "Mg4 Mn6 O14",
"formula_reduced": "Mg2Mn3O7",
"formula_anonymous": "A2B3C7",
"energy": -133.25648016,
"energy_per_atom": -5.55235334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.63048016000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0088084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.196000Z",
"spacegroup": 2
},
{
"id": "mp-766122",
"created_at": "2022-09-04T14:45:18.365738Z",
"structure_string": "Mg3 Mn4 O7\n1.0\n-1.560004 2.205994 10.945378\n1.560004 -2.205994 10.945378\n1.560004 2.205994 -10.945378\nMg Mn O\n3 4 7\ndirect\n0.000000 0.000000 0.000000 Mg\n0.141120 0.141120 0.000000 Mg\n0.858880 0.858880 0.000000 Mg\n0.714191 0.714191 0.000000 Mn\n0.571123 0.571123 0.000000 Mn\n0.428877 0.428877 0.000000 Mn\n0.285809 0.285809 0.000000 Mn\n0.070155 0.570155 0.500000 O\n0.929845 0.429845 0.500000 O\n0.790953 0.290953 0.500000 O\n0.209047 0.709047 0.500000 O\n0.500000 0.000000 0.500000 O\n0.642823 0.142823 0.500000 O\n0.357177 0.857177 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.45986567091319,
"density_atomic": 0.09291958061075324,
"volume": 150.66792066837883,
"volume_molar": 6.481024473439218,
"formula_full": "Mg3 Mn4 O7",
"formula_reduced": "Mg3Mn4O7",
"formula_anonymous": "A3B4C7",
"energy": -109.65966176,
"energy_per_atom": -7.832832982857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.17866176,
"band_gap": 0.5062000000000006,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9981686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.841000Z",
"spacegroup": 71
}
]
}