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=-nsites&page=12186",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12184",
"results": [
{
"id": "mp-753304",
"created_at": "2022-09-04T14:43:33.462524Z",
"structure_string": "Hg1\n1.0\n0.000000 2.535410 2.535410\n2.535410 0.000000 2.535410\n2.535410 2.535410 0.000000\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.218420805720436,
"density_atomic": 0.030677884469927155,
"volume": 32.596771820438846,
"volume_molar": 19.63023482242842,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.29137629,
"energy_per_atom": -0.29137629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.29137629,
"band_gap": 0.3447,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0071822,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.923000Z",
"spacegroup": 225
},
{
"id": "mp-974400",
"created_at": "2022-09-04T14:46:04.505326Z",
"structure_string": "Kr1\n1.0\n-2.506583 2.506583 2.506583\n2.506583 -2.506583 2.506583\n2.506583 2.506583 -2.506583\nKr\n1\ndirect\n0.000000 0.000000 0.000000 Kr\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Kr"
],
"chemical_system": "Kr",
"density": 2.2089022111343932,
"density_atomic": 0.01587426912948227,
"volume": 62.99502621779063,
"volume_molar": 37.93649150634256,
"formula_full": "Kr1",
"formula_reduced": "Kr",
"formula_anonymous": "A",
"energy": -0.05441248,
"energy_per_atom": -0.05441248,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.05441248,
"band_gap": 7.1667,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.091000Z",
"spacegroup": 229
},
{
"id": "mp-7761",
"created_at": "2022-09-04T14:45:25.947961Z",
"structure_string": "Sb1\n1.0\n-1.892661 1.892661 1.892661\n1.892661 -1.892661 1.892661\n1.892661 1.892661 -1.892661\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 7.455473759771788,
"density_atomic": 0.036874106791514365,
"volume": 27.119300967857598,
"volume_molar": 16.33162477412427,
"formula_full": "Sb1",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -3.8904761,
"energy_per_atom": -3.8904761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.8904761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.477000Z",
"spacegroup": 229
},
{
"id": "mp-605790",
"created_at": "2022-09-04T14:45:37.669797Z",
"structure_string": "Ba1\n1.0\n2.142620 -3.711126 0.000000\n2.142620 3.711126 0.000000\n0.000000 0.000000 3.975379\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6069958370046016,
"density_atomic": 0.015817600805873813,
"volume": 63.22071294330891,
"volume_molar": 38.072403229216015,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.74350121,
"energy_per_atom": -1.74350121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.74350121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.098000Z",
"spacegroup": 191
},
{
"id": "mp-1183694",
"created_at": "2022-09-04T14:45:58.920184Z",
"structure_string": "Cs1\n1.0\n-2.685025 2.685025 4.021208\n2.685025 -2.685025 4.021208\n2.685025 2.685025 -4.021208\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9031748818855136,
"density_atomic": 0.008623564247910042,
"volume": 115.961332373949,
"volume_molar": 69.83354662730657,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85803644,
"energy_per_atom": -0.85803644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85803644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.151000Z",
"spacegroup": 139
},
{
"id": "mp-10641",
"created_at": "2022-09-04T14:46:00.561683Z",
"structure_string": "Sc1\n1.0\n-1.838692 1.838692 1.838692\n1.838692 -1.838692 1.838692\n1.838692 1.838692 -1.838692\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.0022645557526153,
"density_atomic": 0.04021731281916648,
"volume": 24.86491338932588,
"volume_molar": 14.974000841572915,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -6.23023766,
"energy_per_atom": -6.23023766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23023766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0707755,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.804000Z",
"spacegroup": 229
},
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
},
{
"id": "mp-12628",
"created_at": "2022-09-04T14:45:54.824065Z",
"structure_string": "Rb1\n1.0\n0.000000 3.568601 3.568601\n3.568601 0.000000 3.568601\n3.568601 3.568601 0.000000\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5614484407092162,
"density_atomic": 0.011002111090589649,
"volume": 90.89164722716919,
"volume_molar": 54.73622935102765,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96519287,
"energy_per_atom": -0.96519287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96519287,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.586000Z",
"spacegroup": 225
},
{
"id": "mp-998861",
"created_at": "2022-09-04T14:45:58.407954Z",
"structure_string": "Br1\n1.0\n0.000000 2.362556 2.362556\n2.362556 0.000000 2.362556\n2.362556 2.362556 0.000000\nBr\n1\ndirect\n0.000000 0.000000 0.000000 Br\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 5.030849068090698,
"density_atomic": 0.037916100872080034,
"volume": 26.374019928203158,
"volume_molar": 15.882806041468449,
"formula_full": "Br1",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -0.97066589,
"energy_per_atom": -0.97066589,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.97066589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0652367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.184000Z",
"spacegroup": 225
},
{
"id": "mp-10750",
"created_at": "2022-09-04T14:45:15.420176Z",
"structure_string": "Dy1\n1.0\n0.000000 2.505869 2.505869\n2.505869 0.000000 2.505869\n2.505869 2.505869 0.000000\nDy\n1\ndirect\n0.500000 0.500000 0.500000 Dy\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.574274371555358,
"density_atomic": 0.03177568442966833,
"volume": 31.470604581732307,
"volume_molar": 18.952041059349284,
"formula_full": "Dy1",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -4.58546351,
"energy_per_atom": -4.58546351,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.58546351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020972,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.404000Z",
"spacegroup": 225
},
{
"id": "mp-684663",
"created_at": "2022-09-04T14:45:16.322623Z",
"structure_string": "I1\n1.0\n-2.072254 2.072254 2.072254\n2.072254 -2.072254 2.072254\n2.072254 2.072254 -2.072254\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.920209370234598,
"density_atomic": 0.02809383638617646,
"volume": 35.59499622102337,
"volume_molar": 21.435807759467085,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.07834603,
"energy_per_atom": -1.07834603,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.07834603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007851,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.599000Z",
"spacegroup": 229
},
{
"id": "mp-8643",
"created_at": "2022-09-04T14:45:09.701003Z",
"structure_string": "Os1\n1.0\n0.000000 1.931726 1.931726\n1.931726 0.000000 1.931726\n1.931726 1.931726 0.000000\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 21.910966458732304,
"density_atomic": 0.06936388805536671,
"volume": 14.416723572383852,
"volume_molar": 8.681953865090561,
"formula_full": "Os1",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -11.094008,
"energy_per_atom": -11.094008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.094008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.661000Z",
"spacegroup": 225
}
]
}