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=elements&page=27",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=25",
"results": [
{
"id": "mp-1224431",
"created_at": "2022-09-04T14:40:32.413113Z",
"structure_string": "Hg34\n1.0\n6.638670 -11.486482 0.000000\n6.638670 11.486482 0.000000\n0.000000 0.000000 10.518507\nHg\n34\ndirect\n0.749358 0.250973 0.497872 Hg\n0.749042 0.498092 0.497437 Hg\n0.501632 0.251023 0.497871 Hg\n0.250973 0.749358 0.502128 Hg\n0.251023 0.501632 0.502129 Hg\n0.498092 0.749042 0.502563 Hg\n0.250973 0.749358 0.997872 Hg\n0.251023 0.501632 0.997871 Hg\n0.498092 0.749042 0.997437 Hg\n0.749358 0.250973 0.002128 Hg\n0.749042 0.498092 0.002563 Hg\n0.501632 0.251023 0.002129 Hg\n0.833028 0.666697 0.750000 Hg\n0.333321 0.166747 0.750000 Hg\n0.833250 0.166341 0.750000 Hg\n0.166747 0.333321 0.250000 Hg\n0.666697 0.833028 0.250000 Hg\n0.166341 0.833250 0.250000 Hg\n0.750126 0.750126 0.500000 Hg\n0.250161 0.000054 0.499821 Hg\n0.000054 0.250161 0.500179 Hg\n0.250014 0.250014 0.500000 Hg\n0.000483 0.750142 0.500118 Hg\n0.750142 0.000483 0.499882 Hg\n0.250014 0.250014 0.000000 Hg\n0.750142 0.000483 0.000118 Hg\n0.000483 0.750142 0.999882 Hg\n0.750126 0.750126 0.000000 Hg\n0.000054 0.250161 0.999821 Hg\n0.250161 0.000054 0.000179 Hg\n0.499528 0.500481 0.750000 Hg\n0.499451 0.998958 0.750000 Hg\n0.500481 0.499528 0.250000 Hg\n0.998958 0.499451 0.250000 Hg\n",
"nsites": 34,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 7.059681036103451,
"density_atomic": 0.021194672184460684,
"volume": 1604.1767338552095,
"volume_molar": 28.41346498586214,
"formula_full": "Hg34",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -8.94396295,
"energy_per_atom": -0.26305773382352937,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.94396295,
"band_gap": 0.7993000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.851000Z",
"spacegroup": 40
},
{
"id": "mp-1077098",
"created_at": "2022-09-04T14:43:41.639420Z",
"structure_string": "Hg6\n1.0\n6.483430 0.000000 0.000000\n0.000000 6.074048 0.000000\n0.000000 2.490036 5.728988\nHg\n6\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.357274 0.583110 0.260136 Hg\n0.857274 0.416890 0.239864 Hg\n0.642726 0.416890 0.739864 Hg\n0.142726 0.583110 0.760136 Hg\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 8.858264989926415,
"density_atomic": 0.026594405841344038,
"volume": 225.6113573581823,
"volume_molar": 22.644389184427254,
"formula_full": "Hg6",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.71442074,
"energy_per_atom": -0.28573679,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.71442074,
"band_gap": 1.0394,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003742,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.064000Z",
"spacegroup": 14
},
{
"id": "mp-1184687",
"created_at": "2022-09-04T14:44:08.314888Z",
"structure_string": "Hg2\n1.0\n0.000000 2.970073 6.035906\n1.839716 0.000000 6.035906\n1.839716 2.970073 0.000000\nHg\n2\ndirect\n0.365981 0.365981 0.634019 Hg\n0.634019 0.634019 0.365981 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.099456407188216,
"density_atomic": 0.03032072790497509,
"volume": 65.96147712112926,
"volume_molar": 19.861464998048,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.56896506,
"energy_per_atom": -0.28448253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.56896506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.079000Z",
"spacegroup": 69
},
{
"id": "mp-975272",
"created_at": "2022-09-04T14:41:45.953558Z",
"structure_string": "Hg2\n1.0\n1.775150 -3.139427 0.000000\n1.775150 3.139427 0.000000\n0.000000 0.000000 5.644127\nHg\n2\ndirect\n0.849544 0.150456 0.750000 Hg\n0.150456 0.849544 0.250000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.589517019025335,
"density_atomic": 0.03179199466126141,
"volume": 62.90891846547152,
"volume_molar": 18.942318102921636,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.60525143,
"energy_per_atom": -0.302625715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.60525143,
"band_gap": 0.1301999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.403000Z",
"spacegroup": 63
},
{
"id": "mp-973986",
"created_at": "2022-09-04T14:44:55.030549Z",
"structure_string": "Ho4\n1.0\n1.770124 -3.065945 0.000000\n1.770124 3.065945 0.000000\n0.000000 0.000000 11.426988\nHo\n4\ndirect\n0.000000 0.000000 0.000000 Ho\n0.333333 0.666667 0.250000 Ho\n0.000000 0.000000 0.500000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.832421234737389,
"density_atomic": 0.032250033799475386,
"volume": 124.03087776190388,
"volume_molar": 18.673285111713472,
"formula_full": "Ho4",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -18.30788468,
"energy_per_atom": -4.57697117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.30788468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.283000Z",
"spacegroup": 194
},
{
"id": "mp-10765",
"created_at": "2022-09-04T14:44:42.412163Z",
"structure_string": "Ho1\n1.0\n0.000000 2.491822 2.491822\n2.491822 0.000000 2.491822\n2.491822 2.491822 0.000000\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.85051527311001,
"density_atomic": 0.0323161010004815,
"volume": 30.944327101375887,
"volume_molar": 18.63510935279684,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -4.55874995,
"energy_per_atom": -4.55874995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.55874995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029465,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.289000Z",
"spacegroup": 225
},
{
"id": "mp-144",
"created_at": "2022-09-04T14:48:07.447660Z",
"structure_string": "Ho2\n1.0\n1.804377 -3.125272 0.000000\n1.804377 3.125272 0.000000\n0.000000 0.000000 5.577528\nHo\n2\ndirect\n0.333333 0.666667 0.250000 Ho\n0.666667 0.333333 0.750000 Ho\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.70748502529581,
"density_atomic": 0.03179385118882015,
"volume": 62.90524504635258,
"volume_molar": 18.9412120105714,
"formula_full": "Ho2",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -9.14413054,
"energy_per_atom": -4.57206527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.14413054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4864125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:29.502000Z",
"spacegroup": 194
},
{
"id": "mp-10659",
"created_at": "2022-09-04T14:46:11.513042Z",
"structure_string": "Ho3\n1.0\n8.617653 -1.772517 0.000000\n8.617653 1.772517 0.000000\n8.253073 0.000000 3.048366\nHo\n3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.777941 0.777941 0.777941 Ho\n0.222059 0.222059 0.222059 Ho\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.822554243159384,
"density_atomic": 0.03221400621389803,
"volume": 93.12719380757169,
"volume_molar": 18.694168989766567,
"formula_full": "Ho3",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -13.74722661,
"energy_per_atom": -4.58240887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.74722661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063015,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.139000Z",
"spacegroup": 166
},
{
"id": "mp-7236",
"created_at": "2022-09-04T14:39:27.576899Z",
"structure_string": "Ho1\n1.0\n-1.991490 1.991490 1.991490\n1.991490 -1.991490 1.991490\n1.991490 1.991490 -1.991490\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.66872483624529,
"density_atomic": 0.03165232517078593,
"volume": 31.593255617219796,
"volume_molar": 19.02590323935583,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -4.43741302,
"energy_per_atom": -4.43741302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.43741302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.655000Z",
"spacegroup": 229
},
{
"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-601148",
"created_at": "2022-09-04T14:43:09.869039Z",
"structure_string": "I1\n1.0\n-1.617456 1.617456 4.264808\n1.617456 -1.617456 4.264808\n1.617456 1.617456 -4.264808\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.721734801160363,
"density_atomic": 0.022406580015506803,
"volume": 44.6297471237438,
"volume_molar": 26.876661926239027,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.3921211,
"energy_per_atom": -1.3921211,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.3921211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011958,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.155000Z",
"spacegroup": 139
},
{
"id": "mp-1180981",
"created_at": "2022-09-04T14:41:03.989835Z",
"structure_string": "I1\n1.0\n0.000000 2.390326 4.415368\n2.182730 0.000000 4.415368\n2.182730 2.390326 0.000000\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 4.5737451578813175,
"density_atomic": 0.02170430809147089,
"volume": 46.073802297018105,
"volume_molar": 27.746292278105436,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy": -1.40693406,
"energy_per_atom": -1.40693406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.40693406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.706000Z",
"spacegroup": 69
}
]
}