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=-volume&page=12191",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=12189",
"results": [
{
"id": "mp-87",
"created_at": "2022-09-04T14:42:58.230891Z",
"structure_string": "Be2\n1.0\n1.129913 -1.957066 0.000000\n1.129913 1.957066 0.000000\n0.000000 0.000000 3.569878\nBe\n2\ndirect\n0.333333 0.666667 0.250000 Be\n0.666667 0.333333 0.750000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8957243972113282,
"density_atomic": 0.12667652701774118,
"volume": 15.788244650249197,
"volume_molar": 4.753951581855882,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy": -7.47882573,
"energy_per_atom": -3.739412865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.47882573,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.9e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.795000Z",
"spacegroup": 194
},
{
"id": "mp-23158",
"created_at": "2022-09-04T14:43:57.501613Z",
"structure_string": "He1\n1.0\n-1.580307 1.580307 1.580307\n1.580307 -1.580307 1.580307\n1.580307 1.580307 -1.580307\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.4210242614550255,
"density_atomic": 0.06334547793493855,
"volume": 15.786446524676775,
"volume_molar": 9.506820307181636,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00905916,
"energy_per_atom": -0.00905916,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00905916,
"band_gap": 17.6377,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.56e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.038000Z",
"spacegroup": 229
},
{
"id": "mp-754382",
"created_at": "2022-09-04T14:43:08.243224Z",
"structure_string": "He1\n1.0\n1.357717 -2.351635 0.000000\n1.357717 2.351635 0.000000\n0.000000 0.000000 2.471234\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.42118070598645746,
"density_atomic": 0.06336901589823696,
"volume": 15.780582763126384,
"volume_molar": 9.503289067437683,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00527239,
"energy_per_atom": -0.00527239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00527239,
"band_gap": 16.586399999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.614000Z",
"spacegroup": 191
},
{
"id": "mp-126",
"created_at": "2022-09-04T14:44:21.944044Z",
"structure_string": "Pt1\n1.0\n0.000000 1.988385 1.988385\n1.988385 0.000000 1.988385\n1.988385 1.988385 0.000000\nPt\n1\ndirect\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pt"
],
"chemical_system": "Pt",
"density": 20.603420149296728,
"density_atomic": 0.06360167738992607,
"volume": 15.722855764781936,
"volume_molar": 9.468525056469428,
"formula_full": "Pt1",
"formula_reduced": "Pt",
"formula_anonymous": "A",
"energy": -6.07090771,
"energy_per_atom": -6.07090771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.07090771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0514353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.792000Z",
"spacegroup": 225
},
{
"id": "mp-2",
"created_at": "2022-09-04T14:47:22.539860Z",
"structure_string": "Pd1\n1.0\n0.000000 1.978533 1.978533\n1.978533 0.000000 1.978533\n1.978533 1.978533 0.000000\nPd\n1\ndirect\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pd"
],
"chemical_system": "Pd",
"density": 11.408077466103864,
"density_atomic": 0.06455651975719152,
"volume": 15.490302199703093,
"volume_molar": 9.328478026154967,
"formula_full": "Pd1",
"formula_reduced": "Pd",
"formula_anonymous": "A",
"energy": -5.17988181,
"energy_per_atom": -5.17988181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.17988181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4002472,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:06.489000Z",
"spacegroup": 225
},
{
"id": "mp-1066989",
"created_at": "2022-09-04T14:48:05.537059Z",
"structure_string": "H2\n1.0\n1.312194 -2.252960 0.000000\n1.312194 2.252960 0.000000\n0.000000 0.000000 2.608958\nH\n2\ndirect\n0.582655 0.417345 0.000000 H\n0.417345 0.582655 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.2170027119837974,
"density_atomic": 0.12965264572492172,
"volume": 15.425832529814404,
"volume_molar": 4.644826741736463,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.68052013,
"energy_per_atom": -3.340260065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68052013,
"band_gap": 6.2332,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.242000Z",
"spacegroup": 65
},
{
"id": "mp-1002114",
"created_at": "2022-09-04T14:45:54.582021Z",
"structure_string": "V1 H1\n1.0\n0.000000 1.971110 1.971110\n1.971110 0.000000 1.971110\n1.971110 1.971110 0.000000\nV H\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 H\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 5.632061498970682,
"density_atomic": 0.13057721941756856,
"volume": 15.31660736015726,
"volume_molar": 4.611938274425952,
"formula_full": "V1 H1",
"formula_reduced": "VH",
"formula_anonymous": "AB",
"energy": -12.9610617,
"energy_per_atom": -6.48053085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.7820617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0106022,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.090000Z",
"spacegroup": 225
},
{
"id": "mp-1097030",
"created_at": "2022-09-04T14:39:40.325677Z",
"structure_string": "Li1 O1\n1.0\n2.671606 0.000000 0.000000\n0.000000 2.671606 0.000000\n0.000000 0.000000 2.131882\nLi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.5034683234570676,
"density_atomic": 0.13143832398100905,
"volume": 15.216262193734085,
"volume_molar": 4.581723638586652,
"formula_full": "Li1 O1",
"formula_reduced": "LiO",
"formula_anonymous": "AB",
"energy": -9.62081717,
"energy_per_atom": -4.810408585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.93381717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.029000Z",
"spacegroup": 123
},
{
"id": "mp-8642",
"created_at": "2022-09-04T14:45:19.151549Z",
"structure_string": "Re1\n1.0\n0.000000 1.962476 1.962476\n1.962476 0.000000 1.962476\n1.962476 1.962476 0.000000\nRe\n1\ndirect\n0.000000 0.000000 0.000000 Re\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Re"
],
"chemical_system": "Re",
"density": 20.455120497629814,
"density_atomic": 0.0661541268277012,
"volume": 15.116214935532374,
"volume_molar": 9.103197410019028,
"formula_full": "Re1",
"formula_reduced": "Re",
"formula_anonymous": "A",
"energy": -12.38177043,
"energy_per_atom": -12.38177043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.38177043,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.959000Z",
"spacegroup": 225
},
{
"id": "mp-34",
"created_at": "2022-09-04T14:44:07.263097Z",
"structure_string": "Si1\n1.0\n1.324762 -2.294556 0.000000\n1.324762 2.294556 0.000000\n0.000000 0.000000 2.476905\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.097101142265708,
"density_atomic": 0.06640857037662255,
"volume": 15.05829736024591,
"volume_molar": 9.06831863093373,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -5.1200173,
"energy_per_atom": -5.1200173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.1200173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001319,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.599000Z",
"spacegroup": 191
},
{
"id": "mp-1014212",
"created_at": "2022-09-04T14:40:19.364987Z",
"structure_string": "Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.156332160571929,
"density_atomic": 0.06767861196292675,
"volume": 14.775716744128614,
"volume_molar": 8.898144606303141,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.89982253,
"energy_per_atom": -4.89982253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.89982253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.452000Z",
"spacegroup": 229
},
{
"id": "mp-53",
"created_at": "2022-09-04T14:40:15.171595Z",
"structure_string": "P1\n1.0\n2.447489 0.000000 0.000000\n0.000000 2.447489 0.000000\n0.000000 0.000000 2.447489\nP\n1\ndirect\n0.500000 0.500000 0.500000 P\n",
"nsites": 1,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 3.508171440034269,
"density_atomic": 0.0682083830482045,
"volume": 14.660954494307191,
"volume_molar": 8.829033164067253,
"formula_full": "P1",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -5.26965166,
"energy_per_atom": -5.26965166,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.26965166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002447,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.434000Z",
"spacegroup": 221
}
]
}