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{
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"results": [
{
"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",
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"elements": [
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],
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"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,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:50.015000Z",
"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": [
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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,
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"energy_uncorrected": -113.63048016000002,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.196000Z",
"spacegroup": 2
},
{
"id": "mp-19239",
"created_at": "2022-09-04T14:45:38.202260Z",
"structure_string": "Mg24 Mn4 O32\n1.0\n-3.460810 4.894325 5.994299\n-6.921620 -4.894325 0.000000\n5.191215 0.000000 8.991448\nMg Mn O\n24 4 32\ndirect\n0.375000 0.375000 0.250000 Mg\n0.625000 0.625000 0.750000 Mg\n0.875000 0.875000 0.250000 Mg\n0.125000 0.125000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.250000 0.250000 0.000000 Mg\n0.750000 0.250000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.250000 0.750000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.875000 0.375000 0.250000 Mg\n0.125000 0.625000 0.750000 Mg\n0.375000 0.875000 0.250000 Mg\n0.625000 0.125000 0.750000 Mg\n0.625000 0.125000 0.250000 Mg\n0.875000 0.375000 0.750000 Mg\n0.125000 0.625000 0.250000 Mg\n0.375000 0.875000 0.750000 Mg\n0.625000 0.625000 0.250000 Mg\n0.875000 0.875000 0.750000 Mg\n0.125000 0.125000 0.250000 Mg\n0.375000 0.375000 0.750000 Mg\n0.500000 0.500000 0.000000 Mn\n0.750000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.500000 Mn\n0.875000 0.125000 0.750000 O\n0.125000 0.375000 0.250000 O\n0.375000 0.625000 0.750000 O\n0.625000 0.875000 0.250000 O\n0.625000 0.375000 0.250000 O\n0.875000 0.625000 0.750000 O\n0.125000 0.875000 0.250000 O\n0.375000 0.125000 0.750000 O\n0.020635 0.250000 0.500000 O\n0.270635 0.500000 0.000000 O\n0.520635 0.750000 0.500000 O\n0.770635 0.000000 0.000000 O\n0.885318 0.114682 0.229365 O\n0.135318 0.364682 0.729365 O\n0.385318 0.614682 0.229365 O\n0.635318 0.864682 0.729365 O\n0.614682 0.385318 0.770635 O\n0.864682 0.635318 0.270635 O\n0.114682 0.885318 0.770635 O\n0.364682 0.135318 0.270635 O\n0.750000 0.520635 0.500000 O\n0.000000 0.770635 0.000000 O\n0.250000 0.020635 0.500000 O\n0.500000 0.270635 0.000000 O\n0.750000 0.979365 0.500000 O\n0.000000 0.229365 0.000000 O\n0.250000 0.479365 0.500000 O\n0.500000 0.729365 0.000000 O\n0.479365 0.250000 0.500000 O\n0.729365 0.500000 0.000000 O\n0.979365 0.750000 0.500000 O\n0.229365 0.000000 0.000000 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.5845294369752736,
"density_atomic": 0.0984897543912877,
"volume": 609.2004226310421,
"volume_molar": 6.114484493559375,
"formula_full": "Mg24 Mn4 O32",
"formula_reduced": "Mg6MnO8",
"formula_anonymous": "AB6C8",
"energy": -404.45033427,
"energy_per_atom": -6.7408389044999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -375.79433427,
"band_gap": 2.2891,
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"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.302000Z",
"spacegroup": 225
},
{
"id": "mp-1399365",
"created_at": "2022-09-04T14:39:14.991493Z",
"structure_string": "Mg1 Mn4 O8\n1.0\n1.489849 7.119907 0.000000\n-1.489849 7.119907 0.000000\n0.000000 6.200493 7.137812\nMg Mn O\n1 4 8\ndirect\n0.662756 0.662756 0.803438 Mg\n0.367000 0.367000 0.437075 Mn\n0.855814 0.855814 0.794163 Mn\n0.162661 0.162661 0.159038 Mn\n0.647169 0.647169 0.508929 Mn\n0.144370 0.144370 0.381750 O\n0.548593 0.548593 0.241720 O\n0.466015 0.466015 0.713432 O\n0.859398 0.859398 0.582285 O\n0.835697 0.835697 0.339671 O\n0.210990 0.210990 0.902287 O\n0.160503 0.160503 0.655641 O\n0.784377 0.784377 0.049923 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.079824757612991,
"density_atomic": 0.08584829552080708,
"volume": 151.42991390958002,
"volume_molar": 7.014863514139791,
"formula_full": "Mg1 Mn4 O8",
"formula_reduced": "MgMn4O8",
"formula_anonymous": "AB4C8",
"energy": -103.65067053,
"energy_per_atom": -7.973128502307692,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:44.573000Z",
"spacegroup": 8
},
{
"id": "mp-1326619",
"created_at": "2022-09-04T14:39:13.838163Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n10.316504 0.000000 0.000000\n0.000000 5.154425 0.000000\n0.000000 0.196884 6.022758\nMg Mn O\n4 8 16\ndirect\n0.750000 0.144112 0.246862 Mg\n0.250000 0.855888 0.753138 Mg\n0.250000 0.513997 0.259481 Mg\n0.750000 0.486003 0.740519 Mg\n0.484313 0.488448 0.752298 Mn\n0.015687 0.488448 0.752298 Mn\n0.515687 0.511552 0.247702 Mn\n0.984313 0.511552 0.247702 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.398926 0.142633 0.746363 O\n0.101074 0.142633 0.746363 O\n0.601074 0.857367 0.253637 O\n0.898926 0.857367 0.253637 O\n0.603809 0.764269 0.748903 O\n0.896191 0.764269 0.748903 O\n0.396191 0.235731 0.251097 O\n0.103809 0.235731 0.251097 O\n0.617130 0.314514 0.478643 O\n0.886688 0.309154 0.978738 O\n0.386688 0.690846 0.021262 O\n0.117130 0.685486 0.521357 O\n0.382870 0.685486 0.521357 O\n0.113312 0.690846 0.021262 O\n0.613312 0.309154 0.978738 O\n0.882870 0.314514 0.478643 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mn",
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],
"chemical_system": "Mg-Mn-O",
"density": 4.110151717972905,
"density_atomic": 0.08742785886514674,
"volume": 320.26404813583105,
"volume_molar": 6.888125636576393,
"formula_full": "Mg4 Mn8 O16",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -220.65796384,
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"energy_above_hull": null,
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"energy_uncorrected": -196.32196384,
"band_gap": 0.4312999999999998,
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"updated_at": "2021-11-28T01:34:44.533000Z",
"spacegroup": 11
},
{
"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,
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"elements": [
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"Mn",
"O"
],
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"volume": 106.68796465844969,
"volume_molar": 6.424899405710893,
"formula_full": "Mg1 Mn3 O6",
"formula_reduced": "MgMn3O6",
"formula_anonymous": "AB3C6",
"energy": -79.85580803,
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"updated_at": "2021-11-28T01:34:23.695000Z",
"spacegroup": 8
},
{
"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": [
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"Mn",
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],
"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,
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"updated_at": "2021-11-28T01:34:49.179000Z",
"spacegroup": 8
},
{
"id": "mp-1041928",
"created_at": "2022-09-04T14:46:54.717640Z",
"structure_string": "Mg4 Mn8 O16\n1.0\n3.009857 0.000000 0.000000\n0.000000 9.619854 0.000000\n0.000000 0.000000 9.917617\nMg Mn O\n4 8 16\ndirect\n0.326876 0.750000 0.353268 Mg\n0.326876 0.250000 0.146732 Mg\n0.673124 0.750000 0.853268 Mg\n0.673124 0.250000 0.646732 Mg\n0.797332 0.570846 0.115378 Mn\n0.797332 0.070846 0.384622 Mn\n0.202668 0.070846 0.884622 Mn\n0.797332 0.429154 0.384622 Mn\n0.202668 0.429154 0.884622 Mn\n0.797332 0.929154 0.115378 Mn\n0.202668 0.929154 0.615378 Mn\n0.202668 0.570846 0.615378 Mn\n0.202897 0.885067 0.967099 O\n0.797103 0.114933 0.032901 O\n0.375654 0.000000 0.250000 O\n0.797103 0.885067 0.467099 O\n0.797103 0.614933 0.467099 O\n0.822360 0.250000 0.293460 O\n0.202897 0.114933 0.532901 O\n0.177640 0.250000 0.793460 O\n0.375654 0.500000 0.250000 O\n0.624346 0.000000 0.750000 O\n0.202897 0.614933 0.967099 O\n0.177640 0.750000 0.706540 O\n0.822360 0.750000 0.206540 O\n0.624346 0.500000 0.750000 O\n0.202897 0.385067 0.532901 O\n0.797103 0.385067 0.032901 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.58399743705537,
"density_atomic": 0.09750712588359817,
"volume": 287.15849991749093,
"volume_molar": 6.176103239048496,
"formula_full": "Mg4 Mn8 O16",
"formula_reduced": "MgMn2O4",
"formula_anonymous": "AB2C4",
"energy": -222.4355449,
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"updated_at": "2021-11-28T01:37:41.966000Z",
"spacegroup": 57
},
{
"id": "mp-1831398",
"created_at": "2022-09-04T14:47:28.432325Z",
"structure_string": "Mg4 Mn4 O8\n1.0\n2.970507 -0.009824 0.610937\n1.489740 8.231658 0.199210\n-0.189894 -0.218570 8.445632\nMg Mn O\n4 4 8\ndirect\n0.344990 0.083588 0.254113 Mg\n0.657042 0.895267 0.777010 Mg\n0.066662 0.728016 0.121712 Mg\n0.924374 0.250696 0.909589 Mg\n0.599589 0.209870 0.600301 Mn\n0.160969 0.407146 0.249720 Mn\n0.823598 0.571766 0.781829 Mn\n0.386180 0.769113 0.431084 Mn\n0.826462 0.726377 0.590647 O\n0.406188 0.381165 0.816699 O\n0.583915 0.597560 0.214663 O\n0.159623 0.252477 0.440635 O\n0.090199 0.064442 0.749514 O\n0.825906 0.227842 0.140399 O\n0.911559 0.914377 0.281486 O\n0.168113 0.750640 0.890782 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.5604895360948285,
"density_atomic": 0.07709965316839171,
"volume": 207.52363133274724,
"volume_molar": 7.81085324320094,
"formula_full": "Mg4 Mn4 O8",
"formula_reduced": "MgMnO2",
"formula_anonymous": "ABC2",
"energy": -119.73799851,
"energy_per_atom": -7.483624906875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.56999851,
"band_gap": 0.2719,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9998384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.014000Z",
"spacegroup": 2
},
{
"id": "mp-976446",
"created_at": "2022-09-04T14:47:26.448542Z",
"structure_string": "Mg1 Mn1 O3\n1.0\n3.735670 0.000000 0.000000\n0.000000 3.735670 0.000000\n0.000000 0.000000 3.735670\nMg Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 4.05295230583769,
"density_atomic": 0.0959101323150203,
"volume": 52.132135357475256,
"volume_molar": 6.278941144841778,
"formula_full": "Mg1 Mn1 O3",
"formula_reduced": "MgMnO3",
"formula_anonymous": "ABC3",
"energy": -35.01401929,
"energy_per_atom": -7.002803858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.28501929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0942055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.813000Z",
"spacegroup": 221
},
{
"id": "mp-753927",
"created_at": "2022-09-04T14:47:17.722552Z",
"structure_string": "Mg16 Mn6 O22\n1.0\n-2.160349 0.000009 -2.160349\n-2.153533 4.305977 2.153516\n17.366428 15.205645 -15.206145\nMg Mn O\n16 6 22\ndirect\n0.090100 0.363164 0.180375 Mg\n0.590096 0.863190 0.180365 Mg\n0.682527 0.227785 0.365070 Mg\n0.182528 0.727766 0.365078 Mg\n0.545884 0.182220 0.091971 Mg\n0.045882 0.682145 0.091970 Mg\n0.226775 0.408698 0.453482 Mg\n0.726772 0.908684 0.453485 Mg\n0.319603 0.773423 0.639137 Mg\n0.819600 0.273399 0.639140 Mg\n0.453251 0.817511 0.906315 Mg\n0.953247 0.317449 0.906314 Mg\n0.364122 0.454725 0.728197 Mg\n0.864123 0.954721 0.728198 Mg\n0.908720 0.636147 0.817253 Mg\n0.408719 0.136152 0.817252 Mg\n0.635772 0.545624 0.272770 Mn\n0.499674 0.500015 0.999324 Mn\n0.773146 0.590937 0.546136 Mn\n0.136333 0.045433 0.272711 Mn\n0.999975 0.999853 0.999346 Mn\n0.272996 0.091095 0.546117 Mn\n0.386439 0.795411 0.772726 O\n0.886438 0.295415 0.772726 O\n0.024314 0.342039 0.048756 O\n0.524343 0.842009 0.048767 O\n0.748331 0.248845 0.496694 O\n0.248354 0.748826 0.496702 O\n0.567994 0.522678 0.136211 O\n0.067995 0.022677 0.136207 O\n0.704636 0.568231 0.409241 O\n0.204635 0.068231 0.409240 O\n0.160867 0.387585 0.321894 O\n0.660900 0.887588 0.321900 O\n0.611671 0.203337 0.223556 O\n0.111640 0.703336 0.223550 O\n0.297827 0.433246 0.595551 O\n0.797805 0.933258 0.595543 O\n0.975044 0.657705 0.949906 O\n0.475068 0.157676 0.949917 O\n0.841891 0.614005 0.683638 O\n0.341890 0.114004 0.683639 O\n0.431035 0.476880 0.861814 O\n0.931036 0.976880 0.861811 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.999205767042634,
"density_atomic": 0.09899030388705327,
"volume": 444.48797783471264,
"volume_molar": 6.083566292382726,
"formula_full": "Mg16 Mn6 O22",
"formula_reduced": "Mg8Mn3O11",
"formula_anonymous": "A3B8C11",
"energy": -310.39886222,
"energy_per_atom": -7.054519595909091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -285.27686222,
"band_gap": 2.3869000000000007,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0009008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.284000Z",
"spacegroup": 166
},
{
"id": "mp-1222140",
"created_at": "2022-09-04T14:46:29.645793Z",
"structure_string": "Mg12 Mn4 O16\n1.0\n-4.327114 -0.000019 4.327263\n4.327075 -8.660695 0.000000\n4.327119 0.000022 4.327268\nMg Mn O\n12 4 16\ndirect\n0.249993 0.500001 0.749987 Mg\n0.000012 0.999994 0.500001 Mg\n0.749984 0.500003 0.250002 Mg\n0.499996 0.000002 0.000004 Mg\n0.124983 0.749994 0.875005 Mg\n0.874997 0.250001 0.625014 Mg\n0.625004 0.750004 0.374996 Mg\n0.375003 0.250001 0.124987 Mg\n0.125007 0.750000 0.374988 Mg\n0.875000 0.250003 0.124990 Mg\n0.625002 0.749990 0.875008 Mg\n0.374992 0.249997 0.625008 Mg\n0.500012 0.999989 0.500037 Mn\n0.250062 0.500025 0.249979 Mn\n0.750029 0.500010 0.749995 Mn\n0.999928 0.999992 0.000022 Mn\n0.499981 0.500004 0.499984 O\n0.250014 0.999998 0.250009 O\n0.000008 0.499993 0.000012 O\n0.749993 0.000004 0.749987 O\n0.499990 0.500003 0.000013 O\n0.250014 0.999998 0.749985 O\n0.000016 0.499995 0.499986 O\n0.749990 0.000004 0.250008 O\n0.879443 0.758938 0.620557 O\n0.629437 0.258926 0.370563 O\n0.379432 0.758924 0.120568 O\n0.129439 0.258938 0.870555 O\n0.370565 0.741073 0.629431 O\n0.120553 0.241072 0.379440 O\n0.870562 0.741064 0.129436 O\n0.620560 0.241060 0.879441 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.9289495666554934,
"density_atomic": 0.09866294622055408,
"volume": 324.33655415546025,
"volume_molar": 6.1037511960548265,
"formula_full": "Mg12 Mn4 O16",
"formula_reduced": "Mg3MnO4",
"formula_anonymous": "AB3C4",
"energy": -223.48918769,
"energy_per_atom": -6.9840371153125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.82518769,
"band_gap": 1.1310000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.840000Z",
"spacegroup": 139
}
]
}