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=12171",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=12169",
"results": [
{
"id": "mp-121",
"created_at": "2022-09-04T14:43:08.297363Z",
"structure_string": "Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.755694544915189,
"density_atomic": 0.035293108981259515,
"volume": 28.334143090964176,
"volume_molar": 17.063219800776775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27636913,
"energy_per_atom": -0.27636913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27636913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.748000Z",
"spacegroup": 166
},
{
"id": "mp-611219",
"created_at": "2022-09-04T14:44:50.318943Z",
"structure_string": "Hg1\n1.0\n7.830023 -1.770053 0.000000\n7.830023 1.770053 0.000000\n7.429885 0.000000 3.039598\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 3.9533286686092426,
"density_atomic": 0.011868738083222304,
"volume": 84.25495558062774,
"volume_molar": 50.739520223408775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.21932567,
"energy_per_atom": -0.21932567,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.21932567,
"band_gap": 1.7611,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.093000Z",
"spacegroup": 166
},
{
"id": "mp-1184591",
"created_at": "2022-09-04T14:45:11.279327Z",
"structure_string": "Hg2\n1.0\n-3.102453 3.102453 1.637697\n3.102453 -3.102453 1.637697\n3.102453 3.102453 -1.637697\nHg\n2\ndirect\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750000 0.500000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.565362558191403,
"density_atomic": 0.03171947780440208,
"volume": 63.05274041183731,
"volume_molar": 18.985623903191232,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.55788659,
"energy_per_atom": -0.278943295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.55788659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:55.700000Z",
"spacegroup": 141
},
{
"id": "mp-1184554",
"created_at": "2022-09-04T14:48:29.905178Z",
"structure_string": "Hg2\n1.0\n1.789922 -3.100236 0.000000\n1.789922 3.100236 0.000000\n0.000000 0.000000 5.734710\nHg\n2\ndirect\n0.333333 0.666667 0.250000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.466899494409137,
"density_atomic": 0.031423870630583564,
"volume": 63.645883204899725,
"volume_molar": 19.164223372721302,
"formula_full": "Hg2",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.60736073,
"energy_per_atom": -0.303680365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.60736073,
"band_gap": 0.2396999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:52.266000Z",
"spacegroup": 194
},
{
"id": "mp-1184569",
"created_at": "2022-09-04T14:39:09.125394Z",
"structure_string": "Hg1\n1.0\n2.360017 -2.156525 0.000000\n2.360017 2.156525 0.000000\n0.389438 0.000000 3.173109\nHg\n1\ndirect\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.312732688986728,
"density_atomic": 0.030961028912106007,
"volume": 32.29866820120413,
"volume_molar": 19.450712626818724,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27885665,
"energy_per_atom": -0.27885665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27885665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.859000Z",
"spacegroup": 166
},
{
"id": "mp-1184709",
"created_at": "2022-09-04T14:46:03.431753Z",
"structure_string": "Hg4\n1.0\n1.796341 -3.111354 0.000000\n1.796341 3.111354 0.000000\n0.000000 0.000000 11.478087\nHg\n4\ndirect\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.250000 Hg\n0.000000 0.000000 0.500000 Hg\n0.666667 0.333333 0.750000 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.384381870106305,
"density_atomic": 0.031176135076017443,
"volume": 128.30326755535006,
"volume_molar": 19.31650842965648,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.18847314,
"energy_per_atom": -0.297118285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.18847314,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.806000Z",
"spacegroup": 194
},
{
"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-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-1096992",
"created_at": "2022-09-04T14:41:02.796536Z",
"structure_string": "Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.562361874033742,
"density_atomic": 0.02870825525868141,
"volume": 139.33274467421336,
"volume_molar": 20.97703502263133,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.10181619,
"energy_per_atom": -0.2754540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10181619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.390000Z",
"spacegroup": 122
},
{
"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-569360",
"created_at": "2022-09-04T14:44:16.189188Z",
"structure_string": "Hg3\n1.0\n1.816347 3.070770 0.000000\n-1.816347 3.070770 0.000000\n0.000000 2.508967 8.445120\nHg\n3\ndirect\n0.235213 0.235213 0.336313 Hg\n0.764787 0.764787 0.663687 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.60712531751696,
"density_atomic": 0.03184485853887111,
"volume": 94.20673030586961,
"volume_molar": 18.910873014710155,
"formula_full": "Hg3",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.90721715,
"energy_per_atom": -0.30240571666666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.90721715,
"band_gap": 0.0967,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.250000Z",
"spacegroup": 12
},
{
"id": "mp-1017981",
"created_at": "2022-09-04T14:43:15.556631Z",
"structure_string": "Hg1\n1.0\n-1.965509 1.965509 1.965509\n1.965509 -1.965509 1.965509\n1.965509 1.965509 -1.965509\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 10.966632095520213,
"density_atomic": 0.03292417476702697,
"volume": 30.372818971957464,
"volume_molar": 18.290939112712632,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.30259183,
"energy_per_atom": -0.30259183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.30259183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.046000Z",
"spacegroup": 229
}
]
}