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=-band_gap&page=12119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12117",
"results": [
{
"id": "mp-1094344",
"created_at": "2022-09-04T14:39:13.895832Z",
"structure_string": "Mg4 Ti2\n1.0\n1.507894 -8.287264 0.000000\n1.507894 8.287264 0.000000\n0.000000 0.000000 4.914176\nMg Ti\n4 2\ndirect\n0.213034 0.786966 0.250000 Mg\n0.890391 0.109609 0.250000 Mg\n0.109609 0.890391 0.750000 Mg\n0.786966 0.213034 0.750000 Mg\n0.545114 0.454886 0.250000 Ti\n0.454886 0.545114 0.750000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.6087964461031206,
"density_atomic": 0.04885269883407435,
"volume": 122.81818902940628,
"volume_molar": 12.327140370389541,
"formula_full": "Mg4 Ti2",
"formula_reduced": "Mg2Ti",
"formula_anonymous": "AB2",
"energy": -21.54050907,
"energy_per_atom": -3.590084845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.54050907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7212567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.875000Z",
"spacegroup": 63
},
{
"id": "mp-1174878",
"created_at": "2022-09-04T14:39:13.886895Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n-3.006664 0.000000 0.000000\n1.080180 7.541843 0.000000\n-0.351421 -2.982836 -9.660719\nLi Mn Co O\n7 2 3 12\ndirect\n0.997572 0.497219 0.743091 Li\n0.342453 0.165948 0.254413 Li\n0.657547 0.834052 0.745587 Li\n0.328936 0.163510 0.745354 Li\n0.671064 0.836490 0.254646 Li\n0.002428 0.502781 0.256909 Li\n0.500000 0.500000 0.500000 Li\n0.159207 0.830557 0.996015 Mn\n0.840793 0.169443 0.003985 Mn\n0.155929 0.823593 0.497771 Co\n0.500000 0.500000 0.000000 Co\n0.844071 0.176407 0.502229 Co\n0.549796 0.668406 0.877728 O\n0.902922 0.307593 0.386046 O\n0.221365 0.003313 0.883104 O\n0.908376 0.339018 0.887997 O\n0.224456 0.994510 0.392132 O\n0.565795 0.681419 0.384725 O\n0.434205 0.318581 0.615275 O\n0.778635 0.996687 0.116896 O\n0.097078 0.692407 0.613954 O\n0.775544 0.005490 0.607868 O\n0.091624 0.660982 0.112003 O\n0.450204 0.331594 0.122272 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9966706438526507,
"density_atomic": 0.10955681716287409,
"volume": 219.06441444278252,
"volume_molar": 5.496819747005889,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.4354531,
"energy_per_atom": -6.518143879166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.9414531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.250000Z",
"spacegroup": 2
},
{
"id": "mp-1212367",
"created_at": "2022-09-04T14:39:27.134359Z",
"structure_string": "Hf8 Fe2\n1.0\n-4.797569 -4.797569 0.000000\n-4.797569 0.000000 -4.797569\n0.000000 -4.797569 -4.797569\nHf Fe\n8 2\ndirect\n0.610693 0.610693 0.610693 Hf\n0.167921 0.610693 0.610693 Hf\n0.610693 0.167921 0.610693 Hf\n0.582079 0.139307 0.139307 Hf\n0.139307 0.139307 0.139307 Hf\n0.610693 0.610693 0.167921 Hf\n0.139307 0.582079 0.139307 Hf\n0.139307 0.139307 0.582079 Hf\n0.000000 0.000000 0.000000 Fe\n0.750000 0.750000 0.750000 Fe\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Hf",
"Fe"
],
"chemical_system": "Fe-Hf",
"density": 11.576203061018774,
"density_atomic": 0.04527998929851679,
"volume": 220.84810873238357,
"volume_molar": 13.29978397366199,
"formula_full": "Hf8 Fe2",
"formula_reduced": "Hf4Fe",
"formula_anonymous": "AB4",
"energy": -90.43788993,
"energy_per_atom": -9.043788993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.43788993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1378086,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.235000Z",
"spacegroup": 227
},
{
"id": "mp-1017387",
"created_at": "2022-09-04T14:39:13.864468Z",
"structure_string": "Rb1 Mg6 B1\n1.0\n4.229561 -7.180633 0.000000\n4.229561 7.180633 0.000000\n0.000000 0.000000 3.424241\nRb Mg B\n1 6 1\ndirect\n0.339566 0.660434 0.500000 Rb\n0.943833 0.687714 0.500000 Mg\n0.312286 0.056167 0.500000 Mg\n0.791660 0.208340 0.500000 Mg\n0.792523 0.871963 0.000000 Mg\n0.128037 0.207477 0.000000 Mg\n0.595051 0.404949 0.000000 Mg\n0.097045 0.902955 0.000000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"B"
],
"chemical_system": "B-Mg-Rb",
"density": 1.9328908513352159,
"density_atomic": 0.03846251200940895,
"volume": 207.99473518638064,
"volume_molar": 15.65716965789136,
"formula_full": "Rb1 Mg6 B1",
"formula_reduced": "RbMg6B",
"formula_anonymous": "ABC6",
"energy": -14.43376361,
"energy_per_atom": -1.80422045125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.43376361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.688000Z",
"spacegroup": 38
},
{
"id": "mp-781677",
"created_at": "2022-09-04T14:39:14.869747Z",
"structure_string": "Mn6 O8 F4\n1.0\n5.518456 0.000000 0.000000\n1.713636 5.304461 0.000000\n2.164340 1.540589 6.703120\nMn O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.355926 0.301777 0.157653 Mn\n0.000000 0.000000 0.500000 Mn\n0.355397 0.346921 0.671953 Mn\n0.644603 0.653079 0.328047 Mn\n0.644074 0.698223 0.842347 Mn\n0.693875 0.307792 0.498736 O\n0.107045 0.096976 0.204690 O\n0.442031 0.444157 0.870697 O\n0.557969 0.555843 0.129303 O\n0.892955 0.903024 0.795310 O\n0.306125 0.692208 0.501264 O\n0.645173 0.006451 0.173828 O\n0.354827 0.993549 0.826172 O\n0.026979 0.605677 0.182319 F\n0.756225 0.757955 0.533691 F\n0.243775 0.242045 0.466309 F\n0.973021 0.394323 0.817681 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.515886131872909,
"density_atomic": 0.09173533811201227,
"volume": 196.2166420318997,
"volume_molar": 6.564690209836848,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -140.68903281,
"energy_per_atom": -7.8160573783333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.33703281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0005052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.490000Z",
"spacegroup": 2
},
{
"id": "mp-1039368",
"created_at": "2022-09-04T14:39:14.646569Z",
"structure_string": "Ca1 Mg1\n1.0\n5.750650 -1.828749 0.000000\n5.750650 1.828749 0.000000\n5.169094 0.000000 3.113641\nCa Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.6324907756795282,
"density_atomic": 0.030539394697175083,
"volume": 65.48918273697814,
"volume_molar": 19.719253834972218,
"formula_full": "Ca1 Mg1",
"formula_reduced": "CaMg",
"formula_anonymous": "AB",
"energy": -3.49635081,
"energy_per_atom": -1.748175405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.49635081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.540000Z",
"spacegroup": 166
},
{
"id": "mp-571038",
"created_at": "2022-09-04T14:39:14.620414Z",
"structure_string": "Hf16 Nb4 Ge16\n1.0\n6.954920 0.000000 0.000000\n0.000000 7.064020 0.000000\n0.000000 0.000000 13.500091\nHf Nb Ge\n16 4 16\ndirect\n0.348937 0.669394 0.875264 Hf\n0.848937 0.830606 0.875264 Hf\n0.651063 0.330606 0.375264 Hf\n0.984684 0.676920 0.095417 Hf\n0.484684 0.823080 0.404583 Hf\n0.515316 0.176920 0.904583 Hf\n0.515316 0.176920 0.595417 Hf\n0.015316 0.323080 0.904583 Hf\n0.151063 0.169394 0.124736 Hf\n0.151063 0.169394 0.375264 Hf\n0.984684 0.676920 0.404583 Hf\n0.651063 0.330606 0.124736 Hf\n0.484684 0.823080 0.095417 Hf\n0.015316 0.323080 0.595417 Hf\n0.348937 0.669394 0.624736 Hf\n0.848937 0.830606 0.624736 Hf\n0.676155 0.503220 0.750000 Nb\n0.176155 0.996780 0.750000 Nb\n0.323845 0.496780 0.250000 Nb\n0.823845 0.003220 0.250000 Nb\n0.691857 0.531541 0.540342 Ge\n0.191857 0.968459 0.959658 Ge\n0.316910 0.350836 0.750000 Ge\n0.808143 0.031541 0.040342 Ge\n0.308143 0.468459 0.040342 Ge\n0.452475 0.108783 0.250000 Ge\n0.683090 0.649164 0.250000 Ge\n0.952475 0.391217 0.250000 Ge\n0.816910 0.149164 0.750000 Ge\n0.691857 0.531541 0.959658 Ge\n0.191857 0.968459 0.540342 Ge\n0.047525 0.608783 0.750000 Ge\n0.308143 0.468459 0.459658 Ge\n0.547525 0.891217 0.750000 Ge\n0.808143 0.031541 0.459658 Ge\n0.183090 0.850836 0.250000 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Hf",
"Nb",
"Ge"
],
"chemical_system": "Ge-Hf-Nb",
"density": 10.990152770136422,
"density_atomic": 0.054277738685927696,
"volume": 663.2553395105521,
"volume_molar": 11.095047262094816,
"formula_full": "Hf16 Nb4 Ge16",
"formula_reduced": "Hf4NbGe4",
"formula_anonymous": "AB4C4",
"energy": -299.09786751,
"energy_per_atom": -8.3082740975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -299.09786751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.641000Z",
"spacegroup": 62
},
{
"id": "mp-1198511",
"created_at": "2022-09-04T14:39:26.857239Z",
"structure_string": "Tb6 Co8 Ge26\n1.0\n8.781663 0.000000 0.000000\n0.000000 8.781663 0.000000\n0.000000 0.000000 8.781663\nTb Co Ge\n6 8 26\ndirect\n0.000000 0.500000 0.750000 Tb\n0.500000 0.250000 0.000000 Tb\n0.750000 0.000000 0.500000 Tb\n0.000000 0.500000 0.250000 Tb\n0.500000 0.750000 0.000000 Tb\n0.250000 0.000000 0.500000 Tb\n0.750000 0.250000 0.750000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.250000 Co\n0.250000 0.250000 0.750000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.250000 Co\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.804547 0.346660 0.500000 Ge\n0.653340 0.500000 0.804547 Ge\n0.500000 0.195453 0.653340 Ge\n0.195453 0.653340 0.500000 Ge\n0.346660 0.500000 0.195453 Ge\n0.500000 0.804547 0.346660 Ge\n0.804547 0.653340 0.500000 Ge\n0.653340 0.500000 0.195453 Ge\n0.195453 0.346660 0.500000 Ge\n0.346660 0.500000 0.804547 Ge\n0.500000 0.804547 0.653340 Ge\n0.500000 0.195453 0.346660 Ge\n0.304547 0.000000 0.846660 Ge\n0.153340 0.304547 0.000000 Ge\n0.000000 0.153340 0.695453 Ge\n0.695453 0.000000 0.153340 Ge\n0.846660 0.695453 0.000000 Ge\n0.000000 0.846660 0.304547 Ge\n0.304547 0.000000 0.153340 Ge\n0.153340 0.695453 0.000000 Ge\n0.695453 0.000000 0.846660 Ge\n0.846660 0.304547 0.000000 Ge\n0.000000 0.153340 0.304547 Ge\n0.000000 0.846660 0.695453 Ge\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tb",
"density": 8.1250573585296,
"density_atomic": 0.0590649296138193,
"volume": 677.2208188772865,
"volume_molar": 10.195797742203709,
"formula_full": "Tb6 Co8 Ge26",
"formula_reduced": "Tb3Co4Ge13",
"formula_anonymous": "A3B4C13",
"energy": -221.51846511,
"energy_per_atom": -5.53796162775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.51846511,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000143,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.552000Z",
"spacegroup": 223
},
{
"id": "mp-19866",
"created_at": "2022-09-04T14:39:14.559561Z",
"structure_string": "U4 Te4 S4\n1.0\n4.214735 0.000000 0.000000\n0.000000 7.684061 0.000000\n0.000000 0.000000 8.961132\nU Te S\n4 4 4\ndirect\n0.250000 0.203795 0.879000 U\n0.750000 0.796205 0.121000 U\n0.250000 0.703795 0.621000 U\n0.750000 0.296205 0.379000 U\n0.250000 0.975397 0.340551 Te\n0.750000 0.524603 0.840551 Te\n0.250000 0.475397 0.159449 Te\n0.750000 0.024603 0.659449 Te\n0.750000 0.149308 0.072287 S\n0.250000 0.350692 0.572287 S\n0.750000 0.649308 0.427713 S\n0.250000 0.850692 0.927713 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"U",
"Te",
"S"
],
"chemical_system": "S-Te-U",
"density": 9.101942280953876,
"density_atomic": 0.04134826527082749,
"volume": 290.21773758587113,
"volume_molar": 14.564433889923823,
"formula_full": "U4 Te4 S4",
"formula_reduced": "UTeS",
"formula_anonymous": "ABC",
"energy": -90.78349037,
"energy_per_atom": -7.565290864166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.08349037,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0091494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.231000Z",
"spacegroup": 62
},
{
"id": "mp-504468",
"created_at": "2022-09-04T14:39:26.871075Z",
"structure_string": "Bi12 Ru12 O44\n1.0\n9.401694 0.000000 0.000000\n0.000000 9.401694 0.000000\n0.000000 0.000000 9.401694\nBi Ru O\n12 12 44\ndirect\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.750000 0.250000 0.250000 Bi\n0.250000 0.750000 0.250000 Bi\n0.133785 0.133785 0.133785 Bi\n0.866215 0.866215 0.133785 Bi\n0.133785 0.866215 0.866215 Bi\n0.866215 0.133785 0.866215 Bi\n0.366215 0.366215 0.366215 Bi\n0.633785 0.633785 0.366215 Bi\n0.366215 0.633785 0.633785 Bi\n0.633785 0.366215 0.633785 Bi\n0.136335 0.500000 0.000000 Ru\n0.000000 0.136335 0.500000 Ru\n0.500000 0.000000 0.136335 Ru\n0.000000 0.863665 0.500000 Ru\n0.500000 0.000000 0.863665 Ru\n0.863665 0.500000 0.000000 Ru\n0.363665 0.000000 0.500000 Ru\n0.500000 0.363665 0.000000 Ru\n0.000000 0.500000 0.363665 Ru\n0.500000 0.636335 0.000000 Ru\n0.000000 0.500000 0.636335 Ru\n0.636335 0.000000 0.500000 Ru\n0.338982 0.000000 0.000000 O\n0.000000 0.338982 0.000000 O\n0.000000 0.000000 0.338982 O\n0.000000 0.661018 0.000000 O\n0.000000 0.000000 0.661018 O\n0.661018 0.000000 0.000000 O\n0.161018 0.500000 0.500000 O\n0.500000 0.161018 0.500000 O\n0.500000 0.500000 0.161018 O\n0.500000 0.838982 0.500000 O\n0.500000 0.500000 0.838982 O\n0.838982 0.500000 0.500000 O\n0.896807 0.896807 0.896807 O\n0.103193 0.103193 0.896807 O\n0.896807 0.103193 0.103193 O\n0.103193 0.896807 0.103193 O\n0.603193 0.603193 0.603193 O\n0.396807 0.396807 0.603193 O\n0.603193 0.396807 0.396807 O\n0.396807 0.603193 0.396807 O\n0.349351 0.993392 0.285838 O\n0.285838 0.349351 0.993392 O\n0.993392 0.285838 0.349351 O\n0.006608 0.714162 0.349351 O\n0.285838 0.650649 0.006608 O\n0.006608 0.285838 0.650649 O\n0.714162 0.650649 0.993392 O\n0.714162 0.349351 0.006608 O\n0.993392 0.714162 0.650649 O\n0.349351 0.006608 0.714162 O\n0.650649 0.993392 0.714162 O\n0.650649 0.006608 0.285838 O\n0.150649 0.506608 0.214162 O\n0.214162 0.150649 0.506608 O\n0.506608 0.214162 0.150649 O\n0.493392 0.785838 0.150649 O\n0.214162 0.849351 0.493392 O\n0.493392 0.214162 0.849351 O\n0.785838 0.849351 0.506608 O\n0.785838 0.150649 0.493392 O\n0.506608 0.785838 0.849351 O\n0.150649 0.493392 0.785838 O\n0.849351 0.506608 0.785838 O\n0.849351 0.493392 0.214162 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Bi",
"Ru",
"O"
],
"chemical_system": "Bi-O-Ru",
"density": 8.841025769733836,
"density_atomic": 0.08182585968696174,
"volume": 831.0331264485966,
"volume_molar": 7.359703623082835,
"formula_full": "Bi12 Ru12 O44",
"formula_reduced": "Bi3Ru3O11",
"formula_anonymous": "A3B3C11",
"energy": -480.68979322,
"energy_per_atom": -7.068967547352941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -450.46179322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3839401,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.729000Z",
"spacegroup": 201
},
{
"id": "mp-755065",
"created_at": "2022-09-04T14:39:13.853462Z",
"structure_string": "Ce4 Ti4 O14\n1.0\n0.000000 5.181918 5.181918\n5.181918 0.000000 5.181918\n5.181918 5.181918 0.000000\nCe Ti O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Ce\n0.125000 0.125000 0.625000 Ce\n0.625000 0.125000 0.125000 Ce\n0.125000 0.125000 0.125000 Ce\n0.125000 0.625000 0.625000 Ti\n0.625000 0.625000 0.625000 Ti\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.296951 0.703049 0.703049 O\n0.546951 0.953049 0.953049 O\n0.703049 0.296951 0.703049 O\n0.703049 0.703049 0.296951 O\n0.000000 0.000000 0.000000 O\n0.296951 0.296951 0.703049 O\n0.296951 0.703049 0.296951 O\n0.953049 0.546951 0.953049 O\n0.250000 0.250000 0.250000 O\n0.953049 0.953049 0.546951 O\n0.546951 0.546951 0.953049 O\n0.546951 0.953049 0.546951 O\n0.703049 0.296951 0.296951 O\n0.953049 0.546951 0.546951 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ce",
"Ti",
"O"
],
"chemical_system": "Ce-O-Ti",
"density": 5.823221544837469,
"density_atomic": 0.07905349520182564,
"volume": 278.29256560805345,
"volume_molar": 7.61780455706015,
"formula_full": "Ce4 Ti4 O14",
"formula_reduced": "Ce2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy": -205.1285816,
"energy_per_atom": -9.324026436363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -195.5105816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0403503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.363000Z",
"spacegroup": 227
},
{
"id": "mp-568945",
"created_at": "2022-09-04T14:39:26.874544Z",
"structure_string": "Dy3 Co9\n1.0\n4.768784 0.016979 7.182905\n2.179910 4.241413 7.182905\n0.027706 0.016979 8.621755\nDy Co\n3 9\ndirect\n0.139477 0.139477 0.139477 Dy\n0.860523 0.860523 0.860523 Dy\n0.000000 0.000000 0.000000 Dy\n0.582165 0.078868 0.582165 Co\n0.582165 0.582165 0.078868 Co\n0.334975 0.334975 0.334975 Co\n0.921132 0.417835 0.417835 Co\n0.078868 0.582165 0.582165 Co\n0.417835 0.921132 0.417835 Co\n0.665025 0.665025 0.665025 Co\n0.500000 0.500000 0.500000 Co\n0.417835 0.417835 0.921132 Co\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Dy",
"Co"
],
"chemical_system": "Co-Dy",
"density": 9.775301246482597,
"density_atomic": 0.06939971954055325,
"volume": 172.91136159401742,
"volume_molar": 8.677471321020258,
"formula_full": "Dy3 Co9",
"formula_reduced": "DyCo3",
"formula_anonymous": "AB3",
"energy": -79.91292141,
"energy_per_atom": -6.659410117499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.91292141,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.2793183,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.064000Z",
"spacegroup": 166
}
]
}