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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10134",
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"results": [
{
"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,
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"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-1003641",
"created_at": "2022-09-04T14:42:59.216850Z",
"structure_string": "Mg8 Mn16 O32\n1.0\n5.691713 0.000000 0.000000\n0.000000 11.270925 0.000000\n0.000000 10.715773 11.623513\nMg Mn O\n8 16 32\ndirect\n0.113620 0.388317 0.174142 Mg\n0.388969 0.745343 0.075301 Mg\n0.388969 0.254657 0.424699 Mg\n0.113620 0.611683 0.325858 Mg\n0.611031 0.745343 0.575301 Mg\n0.886380 0.388317 0.674142 Mg\n0.886380 0.611683 0.825858 Mg\n0.611031 0.254657 0.924699 Mg\n0.877212 0.729752 0.936856 Mn\n0.380634 0.692897 0.931873 Mn\n0.872869 0.913683 0.140560 Mn\n0.379352 0.917124 0.149960 Mn\n0.379352 0.082876 0.350040 Mn\n0.872869 0.086317 0.359440 Mn\n0.380634 0.307103 0.568127 Mn\n0.877212 0.270248 0.563144 Mn\n0.122788 0.729752 0.436856 Mn\n0.619366 0.692897 0.431873 Mn\n0.127131 0.913683 0.640560 Mn\n0.620648 0.917124 0.649960 Mn\n0.127131 0.086317 0.859440 Mn\n0.620648 0.082876 0.850040 Mn\n0.122788 0.270248 0.063144 Mn\n0.619366 0.307103 0.068127 Mn\n0.113328 0.267760 0.658905 O\n0.645652 0.266027 0.660141 O\n0.118330 0.952761 0.382009 O\n0.632401 0.931862 0.400050 O\n0.118330 0.047239 0.117991 O\n0.632401 0.068138 0.099950 O\n0.113328 0.732240 0.841095 O\n0.645652 0.733973 0.839859 O\n0.354348 0.266027 0.160141 O\n0.886672 0.267760 0.158905 O\n0.367599 0.931862 0.900050 O\n0.881670 0.952761 0.882009 O\n0.881670 0.047239 0.617991 O\n0.367599 0.068138 0.599950 O\n0.886672 0.732240 0.341095 O\n0.354348 0.733973 0.339859 O\n0.850882 0.621759 0.552074 O\n0.385111 0.637493 0.540654 O\n0.386468 0.807119 0.637802 O\n0.858174 0.780331 0.656050 O\n0.385111 0.362507 0.959346 O\n0.850882 0.378241 0.947926 O\n0.858174 0.219669 0.843950 O\n0.386468 0.192881 0.862198 O\n0.149118 0.621759 0.052074 O\n0.614889 0.637493 0.040654 O\n0.141826 0.780331 0.156050 O\n0.613532 0.807119 0.137802 O\n0.149118 0.378241 0.447926 O\n0.614889 0.362507 0.459346 O\n0.141826 0.219669 0.343950 O\n0.613532 0.192881 0.362198 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.530661478567831,
"density_atomic": 0.07510140613521595,
"volume": 745.6584754109009,
"volume_molar": 8.018679103234723,
"formula_full": "Mg8 Mn16 O32",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -439.4358469600001,
"energy_per_atom": -7.847068695714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -390.76384696,
"band_gap": 0.7501,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 63.9986684,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.148000Z",
"spacegroup": 13
},
{
"id": "mp-1003770",
"created_at": "2022-09-04T14:44:04.213159Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n10.863364 0.000000 0.000000\n0.000000 5.719706 0.000000\n0.000000 2.777793 5.045042\nMg Mn O\n4 8 16\ndirect\n0.113548 0.161244 0.957206 Mg\n0.886452 0.838756 0.042794 Mg\n0.386452 0.161244 0.457206 Mg\n0.613548 0.838756 0.542794 Mg\n0.142891 0.429839 0.405100 Mn\n0.121210 0.878012 0.506047 Mn\n0.878790 0.121988 0.493953 Mn\n0.857109 0.570161 0.594900 Mn\n0.378790 0.878012 0.006047 Mn\n0.357109 0.429839 0.905100 Mn\n0.642891 0.570161 0.094900 Mn\n0.621210 0.121988 0.993953 Mn\n0.208600 0.070795 0.660970 O\n0.191281 0.524637 0.681796 O\n0.808719 0.475363 0.318204 O\n0.791400 0.929205 0.339030 O\n0.308719 0.524637 0.181796 O\n0.291400 0.070795 0.160970 O\n0.708600 0.929205 0.839030 O\n0.691281 0.475363 0.818204 O\n0.054742 0.772078 0.243864 O\n0.052784 0.228585 0.266108 O\n0.947216 0.771415 0.733892 O\n0.945258 0.227922 0.756136 O\n0.552784 0.771415 0.233892 O\n0.554742 0.227922 0.256136 O\n0.445258 0.772078 0.743864 O\n0.447216 0.228585 0.766108 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.199167690406587,
"density_atomic": 0.08932133541022037,
"volume": 313.4749371066408,
"volume_molar": 6.742107842815494,
"formula_full": "Mg4 Mn8 O16",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -222.71258708,
"energy_per_atom": -7.954020967142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.37658708,
"band_gap": 0.7710999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9969201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.829000Z",
"spacegroup": 14
},
{
"id": "mp-1002569",
"created_at": "2022-09-04T14:42:44.765131Z",
"structure_string": "Mg2 Mn2 O4\n1.0\n3.038375 0.000000 0.000000\n0.000000 5.319945 0.000000\n0.000000 0.000000 5.348591\nMg Mn O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.163660 0.265038 O\n0.500000 0.663660 0.234962 O\n0.000000 0.836340 0.734962 O\n0.500000 0.336340 0.765038 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.273260523084813,
"density_atomic": 0.09253415882507578,
"volume": 86.4545601492201,
"volume_molar": 6.508019132031126,
"formula_full": "Mg2 Mn2 O4",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy": -60.11875834,
"energy_per_atom": -7.5148447925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.03475834,
"band_gap": 0.7773000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 9.9999213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.878000Z",
"spacegroup": 58
},
{
"id": "mp-1003856",
"created_at": "2022-09-04T14:43:23.093495Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n-5.362473 -0.013038 3.094064\n5.363580 0.009329 3.099575\n1.775469 5.062147 -3.097438\nMg Mn O\n4 4 8\ndirect\n0.000042 0.000350 0.999773 Mg\n0.500045 0.500340 0.499786 Mg\n0.000040 0.500326 0.999774 Mg\n0.500036 0.500347 0.999757 Mg\n0.000002 0.000319 0.499756 Mn\n0.000007 0.500323 0.499755 Mn\n0.499990 0.000317 0.999719 Mn\n0.500033 0.000335 0.499743 Mn\n0.489843 0.735304 0.244660 O\n0.010136 0.255340 0.244898 O\n0.489919 0.255226 0.244749 O\n0.010197 0.255410 0.764765 O\n0.989939 0.745314 0.754670 O\n0.510239 0.265357 0.754886 O\n0.989887 0.745256 0.234787 O\n0.510156 0.745452 0.754783 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.39910072927663,
"density_atomic": 0.09525913137552722,
"volume": 167.96290044809834,
"volume_molar": 6.32185143097697,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy": -122.65907513,
"energy_per_atom": -7.666192195625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -110.49107513,
"band_gap": 2.5616000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.225000Z",
"spacegroup": 227
},
{
"id": "mp-1004375",
"created_at": "2022-09-04T14:43:37.923404Z",
"structure_string": "Mg1 Mn4 O8\n1.0\n-2.915199 2.930689 4.413065\n2.915199 -2.930689 4.413065\n2.915199 2.930689 -4.413065\nMg Mn O\n1 4 8\ndirect\n0.613786 0.113786 0.500000 Mg\n0.248124 0.992520 0.744396 Mn\n0.248124 0.503728 0.255604 Mn\n0.754506 0.499748 0.254758 Mn\n0.244990 0.499748 0.745242 Mn\n0.037315 0.750784 0.286532 O\n0.464252 0.750784 0.713468 O\n0.030617 0.752976 0.722359 O\n0.030617 0.308259 0.277641 O\n0.025432 0.249271 0.776161 O\n0.473109 0.249271 0.223839 O\n0.476629 0.702013 0.225384 O\n0.476629 0.251245 0.774616 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.096518574599136,
"density_atomic": 0.08619956936690121,
"volume": 150.8128183873703,
"volume_molar": 6.98627708262354,
"formula_full": "Mg1 Mn4 O8",
"formula_reduced": "MgMn4O8",
"formula_anonymous": "AB4C8",
"energy": -104.7136827,
"energy_per_atom": -8.05489866923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -92.5456827,
"band_gap": 0.2765999999999997,
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"is_magnetic": true,
"total_magnetization": 14.0003033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.190000Z",
"spacegroup": 44
},
{
"id": "mp-1041097",
"created_at": "2022-09-04T14:40:04.881210Z",
"structure_string": "Mg6 Mn12 O24\n1.0\n2.954259 5.435608 0.000000\n-2.954259 5.435608 0.000000\n0.000000 1.066521 14.802412\nMg Mn O\n6 12 24\ndirect\n0.163265 0.163265 0.952603 Mg\n0.506586 0.506586 0.619170 Mg\n0.840452 0.840452 0.665025 Mg\n0.831074 0.831074 0.290455 Mg\n0.496039 0.496039 0.999229 Mg\n0.502960 0.502960 0.377227 Mg\n0.667504 0.667504 0.833718 Mn\n0.666064 0.170414 0.833148 Mn\n0.004521 0.004521 0.500293 Mn\n0.170414 0.666064 0.833148 Mn\n0.006064 0.509625 0.501535 Mn\n0.166965 0.166965 0.334036 Mn\n0.171408 0.171408 0.712828 Mn\n0.330497 0.330497 0.168045 Mn\n0.509625 0.006064 0.501535 Mn\n0.326245 0.830534 0.165296 Mn\n0.830534 0.326245 0.165296 Mn\n0.830753 0.830753 0.047077 Mn\n0.348212 0.348212 0.909772 O\n0.494985 0.494985 0.756848 O\n0.345945 0.806447 0.906090 O\n0.806447 0.345945 0.906090 O\n0.688803 0.688803 0.580484 O\n0.535573 0.000656 0.763356 O\n0.828592 0.828592 0.425509 O\n0.000656 0.535573 0.763356 O\n0.843347 0.843347 0.908942 O\n0.693534 0.152310 0.576635 O\n0.152310 0.693534 0.576635 O\n0.985082 0.985082 0.757751 O\n0.009944 0.009944 0.242270 O\n0.865155 0.315485 0.417867 O\n0.315485 0.865155 0.417867 O\n0.154469 0.154469 0.089804 O\n0.180003 0.180003 0.574299 O\n0.016025 0.469120 0.247482 O\n0.469120 0.016025 0.247482 O\n0.324173 0.324173 0.423134 O\n0.188624 0.642398 0.090638 O\n0.642398 0.188624 0.090638 O\n0.507101 0.507101 0.241039 O\n0.645141 0.645141 0.087236 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.153346087011359,
"density_atomic": 0.08834665492407315,
"volume": 475.40000281952524,
"volume_molar": 6.816489843532328,
"formula_full": "Mg6 Mn12 O24",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -335.18200107,
"energy_per_atom": -7.9805238350000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -298.67800107,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.0013773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.179000Z",
"spacegroup": 8
},
{
"id": "mp-1365585",
"created_at": "2022-09-04T14:40:15.108442Z",
"structure_string": "Mg8 Mn16 O32\n1.0\n3.028450 5.222718 0.000000\n-3.028450 5.222718 0.000000\n0.000000 3.477808 19.757573\nMg Mn O\n8 16 32\ndirect\n0.851956 0.851956 0.970545 Mg\n0.375538 0.375538 0.874939 Mg\n0.602853 0.602853 0.718654 Mg\n0.125340 0.125340 0.624613 Mg\n0.874861 0.874861 0.375146 Mg\n0.999274 0.999274 0.499810 Mg\n0.625227 0.625227 0.125380 Mg\n0.750404 0.750404 0.250623 Mg\n0.375746 0.873457 0.874975 Mn\n0.248854 0.248854 0.749375 Mn\n0.873457 0.375746 0.874975 Mn\n0.351851 0.351851 0.465627 Mn\n0.127370 0.626365 0.624499 Mn\n0.899477 0.899477 0.780205 Mn\n0.101154 0.101154 0.218466 Mn\n0.626365 0.127370 0.624499 Mn\n0.874841 0.375005 0.375221 Mn\n0.648351 0.648351 0.532370 Mn\n0.375005 0.874841 0.375221 Mn\n0.121569 0.623808 0.125625 Mn\n0.623808 0.121569 0.125625 Mn\n0.397982 0.397982 0.284073 Mn\n0.501876 0.501876 0.999210 Mn\n0.149791 0.149791 0.031098 Mn\n0.678685 0.226858 0.936221 O\n0.567270 0.567270 0.821848 O\n0.226858 0.678685 0.936221 O\n0.681834 0.681834 0.938540 O\n0.070108 0.070108 0.811769 O\n0.431419 0.978795 0.685818 O\n0.518664 0.072729 0.813693 O\n0.316620 0.316620 0.571618 O\n0.978795 0.431419 0.685818 O\n0.182687 0.182687 0.926311 O\n0.429464 0.429464 0.683975 O\n0.072729 0.518664 0.813693 O\n0.185654 0.724889 0.431997 O\n0.819625 0.819625 0.569714 O\n0.276840 0.813929 0.568913 O\n0.067362 0.067362 0.322081 O\n0.724889 0.185654 0.431997 O\n0.933298 0.933298 0.677553 O\n0.176647 0.176647 0.430901 O\n0.813929 0.276840 0.568913 O\n0.572884 0.572884 0.319537 O\n0.935390 0.472085 0.181241 O\n0.025152 0.563702 0.318462 O\n0.816911 0.816911 0.071873 O\n0.472085 0.935390 0.181241 O\n0.682462 0.682462 0.428552 O\n0.930315 0.930315 0.181648 O\n0.563702 0.025152 0.318462 O\n0.324544 0.324544 0.064707 O\n0.766827 0.320978 0.064012 O\n0.432364 0.432364 0.177886 O\n0.320978 0.766827 0.064012 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.212262834750176,
"density_atomic": 0.08959988484344046,
"volume": 625.0008032694443,
"volume_molar": 6.721147879288681,
"formula_full": "Mg8 Mn16 O32",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -446.42274331,
"energy_per_atom": -7.971834701964285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -397.75074331,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 63.9996893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.902000Z",
"spacegroup": 8
},
{
"id": "mp-1043161",
"created_at": "2022-09-04T14:39:45.345999Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n1.858219 -4.887611 0.000000\n1.858219 4.887611 0.000000\n0.000000 0.000000 11.355741\nMg Mn O\n2 4 10\ndirect\n0.099618 0.900382 0.750000 Mg\n0.900382 0.099618 0.250000 Mg\n0.787599 0.212401 0.598470 Mn\n0.212401 0.787599 0.401530 Mn\n0.212401 0.787599 0.098470 Mn\n0.787599 0.212401 0.901530 Mn\n0.300087 0.699913 0.250000 O\n0.699913 0.300087 0.750000 O\n0.760457 0.239543 0.079405 O\n0.239543 0.760457 0.920595 O\n0.239543 0.760457 0.579405 O\n0.760457 0.239543 0.420595 O\n0.961374 0.038626 0.623375 O\n0.038626 0.961374 0.376625 O\n0.961374 0.038626 0.876625 O\n0.038626 0.961374 0.123375 O\n",
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"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.4483801000914176,
"density_atomic": 0.07756771148313035,
"volume": 206.27139429632038,
"volume_molar": 7.76372107008689,
"formula_full": "Mg2 Mn4 O10",
"formula_reduced": "MgMn2O5",
"formula_anonymous": "AB2C5",
"energy": -119.31150171,
"energy_per_atom": -7.456968856875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:41.628000Z",
"spacegroup": 63
},
{
"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": [
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"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,
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"is_magnetic": true,
"total_magnetization": 2.0088084,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.196000Z",
"spacegroup": 2
},
{
"id": "mp-530444",
"created_at": "2022-09-04T14:40:21.788141Z",
"structure_string": "Mg10 Mn20 O40\n1.0\n2.933214 23.237775 0.000000\n-2.933214 23.237775 0.000000\n0.000000 0.706952 5.827946\nMg Mn O\n10 20 40\ndirect\n0.400953 0.400953 0.599988 Mg\n0.451662 0.451662 0.047961 Mg\n0.850280 0.850280 0.649067 Mg\n0.198367 0.198367 0.801608 Mg\n0.248786 0.248786 0.249991 Mg\n0.646297 0.646297 0.843240 Mg\n0.799581 0.799581 0.200819 Mg\n0.049634 0.049634 0.440244 Mg\n0.123643 0.123643 0.124314 Mg\n0.526367 0.526367 0.723803 Mg\n0.726271 0.228867 0.526494 Mn\n0.125696 0.625578 0.124648 Mn\n0.228867 0.726271 0.526494 Mn\n0.926358 0.926358 0.325397 Mn\n0.926204 0.926204 0.824953 Mn\n0.524397 0.024052 0.725164 Mn\n0.625578 0.125696 0.124648 Mn\n0.324940 0.324940 0.924997 Mn\n0.324935 0.324935 0.424908 Mn\n0.922434 0.422737 0.322403 Mn\n0.024052 0.524397 0.725164 Mn\n0.600535 0.600535 0.410773 Mn\n0.723248 0.723248 0.524996 Mn\n0.723512 0.723512 0.024508 Mn\n0.323984 0.826345 0.924936 Mn\n0.422737 0.922434 0.322403 Mn\n0.003397 0.003397 0.006554 Mn\n0.123349 0.123349 0.622730 Mn\n0.826345 0.323984 0.924936 Mn\n0.527283 0.527283 0.232494 Mn\n0.477656 0.477656 0.297088 O\n0.479446 0.479446 0.755090 O\n0.150474 0.700762 0.075256 O\n0.152402 0.701695 0.575331 O\n0.876268 0.876268 0.899195 O\n0.876272 0.876272 0.348765 O\n0.976337 0.976337 0.751807 O\n0.975090 0.975090 0.305490 O\n0.549058 0.099443 0.675567 O\n0.550340 0.100802 0.174396 O\n0.700762 0.150474 0.075256 O\n0.701695 0.152402 0.575331 O\n0.274803 0.274803 0.499845 O\n0.274802 0.274802 0.949401 O\n0.374951 0.374951 0.350013 O\n0.374945 0.374945 0.900539 O\n0.947731 0.497396 0.274592 O\n0.948926 0.499521 0.774515 O\n0.099443 0.549058 0.675567 O\n0.100802 0.550340 0.174396 O\n0.672703 0.672703 0.095504 O\n0.673972 0.673972 0.547855 O\n0.773529 0.773529 0.950843 O\n0.773519 0.773519 0.500981 O\n0.352738 0.884086 0.868224 O\n0.350976 0.900187 0.382847 O\n0.497396 0.947731 0.274592 O\n0.499521 0.948926 0.774515 O\n0.073887 0.073887 0.704329 O\n0.077179 0.077179 0.145666 O\n0.172779 0.172779 0.550273 O\n0.170851 0.170851 0.095414 O\n0.754352 0.296181 0.467290 O\n0.763639 0.301217 0.982747 O\n0.884086 0.352738 0.868224 O\n0.900187 0.350976 0.382847 O\n0.576467 0.576467 0.141232 O\n0.572852 0.572852 0.708775 O\n0.296181 0.754352 0.467290 O\n0.301217 0.763639 0.982747 O\n",
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"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.142115879629129,
"density_atomic": 0.08810777493778298,
"volume": 794.481531844724,
"volume_molar": 6.834970879984787,
"formula_full": "Mg10 Mn20 O40",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -558.57639282,
"energy_per_atom": -7.979662754571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -497.73639282,
"band_gap": 0.3109000000000002,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:47.967000Z",
"spacegroup": 8
},
{
"id": "mp-27510",
"created_at": "2022-09-04T14:40:22.797934Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n-1.420334 4.940862 -2.696655\n5.151773 0.010973 3.564004\n5.140939 -0.003445 -2.696688\nMg Mn O\n2 4 8\ndirect\n0.625000 0.750000 0.625000 Mg\n0.375000 0.250000 0.375000 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000001 0.000000 Mn\n0.777354 0.507691 0.246248 O\n0.246248 0.992308 0.777355 O\n0.246057 0.992308 0.230337 O\n0.222646 0.492308 0.753752 O\n0.769663 0.492308 0.753943 O\n0.753752 0.007691 0.222646 O\n0.230337 0.507691 0.246058 O\n0.753943 0.007691 0.769663 O\n",
"nsites": 14,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.129164449799412,
"density_atomic": 0.0878322824847178,
"volume": 159.3946963912261,
"volume_molar": 6.856409271895911,
"formula_full": "Mg2 Mn4 O8",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -112.21069352,
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"updated_at": "2021-11-28T01:34:47.998000Z",
"spacegroup": 141
}
]
}