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=79",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=77",
"results": [
{
"id": "mp-759790",
"created_at": "2022-09-04T14:40:27.268309Z",
"structure_string": "Ag4 Hg10\n1.0\n10.263058 0.000000 0.000000\n0.000000 10.263058 0.000000\n0.000000 0.000000 3.090419\nAg Hg\n4 10\ndirect\n0.680868 0.180868 0.500000 Ag\n0.180868 0.319132 0.500000 Ag\n0.819132 0.680868 0.500000 Ag\n0.319132 0.819132 0.500000 Ag\n0.500000 0.000000 0.000000 Hg\n0.201301 0.062914 0.000000 Hg\n0.937086 0.201301 0.000000 Hg\n0.437086 0.298699 0.000000 Hg\n0.701301 0.437086 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n0.298699 0.562914 0.000000 Hg\n0.562914 0.701301 0.000000 Hg\n0.062914 0.798699 0.000000 Hg\n0.798699 0.937086 0.000000 Hg\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.433692600006895,
"density_atomic": 0.04300877807513201,
"volume": 325.51494431074997,
"volume_molar": 14.00212010087784,
"formula_full": "Ag4 Hg10",
"formula_reduced": "Ag2Hg5",
"formula_anonymous": "A2B5",
"energy": -13.24999215,
"energy_per_atom": -0.9464280107142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24999215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.817000Z",
"spacegroup": 127
},
{
"id": "mp-1183210",
"created_at": "2022-09-04T14:40:20.030070Z",
"structure_string": "Ag1 Hg3\n1.0\n4.504894 0.000000 0.000000\n0.000000 4.504894 0.000000\n0.000000 0.000000 4.504894\nAg Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.889389675443114,
"density_atomic": 0.04375284135652988,
"volume": 91.42263395890336,
"volume_molar": 13.763999258761803,
"formula_full": "Ag1 Hg3",
"formula_reduced": "AgHg3",
"formula_anonymous": "AB3",
"energy": -3.29175115,
"energy_per_atom": -0.8229377875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.29175115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.394000Z",
"spacegroup": 221
},
{
"id": "mp-985443",
"created_at": "2022-09-04T14:45:18.857291Z",
"structure_string": "Ag3 Hg1\n1.0\n4.245293 0.000000 0.000000\n0.000000 4.245293 0.000000\n0.000000 0.000000 4.245293\nAg Hg\n3 1\ndirect\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.376760916596703,
"density_atomic": 0.05228016897258263,
"volume": 76.51084682028718,
"volume_molar": 11.518977230464198,
"formula_full": "Ag3 Hg1",
"formula_reduced": "Ag3Hg",
"formula_anonymous": "AB3",
"energy": -8.71660373,
"energy_per_atom": -2.1791509325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.71660373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.380000Z",
"spacegroup": 221
},
{
"id": "mp-758523",
"created_at": "2022-09-04T14:39:43.809295Z",
"structure_string": "Ag4 Hg4\n1.0\n5.531463 0.000000 0.000000\n0.000000 5.531463 0.000000\n0.000000 0.000000 5.531463\nAg Hg\n4 4\ndirect\n0.148817 0.351183 0.648817 Ag\n0.351183 0.648817 0.148817 Ag\n0.648817 0.148817 0.351183 Ag\n0.851183 0.851183 0.851183 Ag\n0.154768 0.154768 0.154768 Hg\n0.345232 0.845232 0.654768 Hg\n0.654768 0.345232 0.845232 Hg\n0.845232 0.654768 0.345232 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.105573628551594,
"density_atomic": 0.047268296577542654,
"volume": 169.246632081953,
"volume_molar": 12.740338019418163,
"formula_full": "Ag4 Hg4",
"formula_reduced": "AgHg",
"formula_anonymous": "AB",
"energy": -11.87748827,
"energy_per_atom": -1.48468603375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.87748827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004818,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.351000Z",
"spacegroup": 198
},
{
"id": "mp-770433",
"created_at": "2022-09-04T14:48:19.677218Z",
"structure_string": "Ag11 Hg9\n1.0\n1.609567 -2.787851 0.000000\n1.609567 2.787851 0.000000\n0.000000 0.000000 46.742527\nAg Hg\n11 9\ndirect\n0.666667 0.333333 0.725422 Ag\n0.666667 0.333333 0.922448 Ag\n0.000000 0.000000 0.178313 Ag\n0.000000 0.000000 0.276069 Ag\n0.000000 0.000000 0.375070 Ag\n0.000000 0.000000 0.475295 Ag\n0.000000 0.000000 0.677264 Ag\n0.000000 0.000000 0.773604 Ag\n0.000000 0.000000 0.874830 Ag\n0.000000 0.000000 0.969411 Ag\n0.000000 0.000000 0.575817 Ag\n0.666667 0.333333 0.019043 Hg\n0.666667 0.333333 0.129358 Hg\n0.666667 0.333333 0.325489 Hg\n0.666667 0.333333 0.525611 Hg\n0.666667 0.333333 0.226869 Hg\n0.666667 0.333333 0.425077 Hg\n0.666667 0.333333 0.824453 Hg\n0.666667 0.333333 0.626297 Hg\n0.000000 0.000000 0.074260 Hg\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.843214432671001,
"density_atomic": 0.047677030089210384,
"volume": 419.48921655936215,
"volume_molar": 12.63111554711301,
"formula_full": "Ag11 Hg9",
"formula_reduced": "Ag11Hg9",
"formula_anonymous": "A9B11",
"energy": -32.31908094,
"energy_per_atom": -1.615954047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.31908094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.687000Z",
"spacegroup": 156
},
{
"id": "mp-1183250",
"created_at": "2022-09-04T14:42:10.790740Z",
"structure_string": "Ag6 Hg2\n1.0\n3.011222 -5.215589 0.000000\n3.011222 5.215589 0.000000\n0.000000 0.000000 4.839206\nAg Hg\n6 2\ndirect\n0.164500 0.329000 0.250000 Ag\n0.671000 0.835500 0.250000 Ag\n0.164500 0.835500 0.250000 Ag\n0.835500 0.671000 0.750000 Ag\n0.329000 0.164500 0.750000 Ag\n0.835500 0.164500 0.750000 Ag\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.453056279556616,
"density_atomic": 0.052630772672230555,
"volume": 152.00232855826988,
"volume_molar": 11.442242730320864,
"formula_full": "Ag6 Hg2",
"formula_reduced": "Ag3Hg",
"formula_anonymous": "AB3",
"energy": -17.38456792,
"energy_per_atom": -2.17307099,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.38456792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.768000Z",
"spacegroup": 194
},
{
"id": "mp-1229093",
"created_at": "2022-09-04T14:45:21.496545Z",
"structure_string": "Ag2 Hg1\n1.0\n1.545755 -2.677327 0.000000\n1.545755 2.677327 0.000000\n0.000000 0.000000 7.243981\nAg Hg\n2 1\ndirect\n0.333333 0.666667 0.657450 Ag\n0.666667 0.333333 0.342550 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 11.530115896660353,
"density_atomic": 0.0500347666634625,
"volume": 59.9583089929892,
"volume_molar": 12.035912549578494,
"formula_full": "Ag2 Hg1",
"formula_reduced": "Ag2Hg",
"formula_anonymous": "AB2",
"energy": -5.81519363,
"energy_per_atom": -1.9383978766666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.81519363,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.251000Z",
"spacegroup": 164
},
{
"id": "mp-567809",
"created_at": "2022-09-04T14:41:56.974110Z",
"structure_string": "Ag2 I2\n1.0\n4.589103 0.000000 0.000000\n0.000000 4.589103 0.000000\n0.000000 0.000000 6.673183\nAg I\n2 2\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.500000 0.728459 I\n0.500000 0.000000 0.271541 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.5480196019640635,
"density_atomic": 0.028462388738700186,
"volume": 140.5363420731169,
"volume_molar": 21.158240846495506,
"formula_full": "Ag2 I2",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -10.49605816,
"energy_per_atom": -2.62401454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.73805816,
"band_gap": 1.5986,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.984000Z",
"spacegroup": 129
},
{
"id": "mp-22915",
"created_at": "2022-09-04T14:47:15.647384Z",
"structure_string": "Ag1 I1\n1.0\n3.855000 0.000000 0.000000\n0.000000 3.855000 0.000000\n0.000000 0.000000 3.855000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 6.804927293483764,
"density_atomic": 0.03491056266224425,
"volume": 57.289251375,
"volume_molar": 17.250196790763674,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -4.51699498,
"energy_per_atom": -2.25849749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.13799498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.11e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.047000Z",
"spacegroup": 221
},
{
"id": "mp-22925",
"created_at": "2022-09-04T14:39:23.873015Z",
"structure_string": "Ag1 I1\n1.0\n0.000000 3.320466 3.320466\n3.320466 0.000000 3.320466\n3.320466 3.320466 0.000000\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.750000 0.750000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.324385940884999,
"density_atomic": 0.027315105806527826,
"volume": 73.21955895634991,
"volume_molar": 22.04692452101289,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -5.29759529,
"energy_per_atom": -2.648797645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91859529,
"band_gap": 1.3674,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.649000Z",
"spacegroup": 216
},
{
"id": "mp-22894",
"created_at": "2022-09-04T14:40:04.460865Z",
"structure_string": "Ag2 I2\n1.0\n2.355292 -4.079486 0.000000\n2.355292 4.079486 0.000000\n0.000000 0.000000 7.613745\nAg I\n2 2\ndirect\n0.333333 0.666667 0.000219 Ag\n0.666667 0.333333 0.500219 Ag\n0.333333 0.666667 0.379681 I\n0.666667 0.333333 0.879681 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.3290292651364375,
"density_atomic": 0.027338926937195335,
"volume": 146.31152163320257,
"volume_molar": 22.027714452123274,
"formula_full": "Ag2 I2",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -10.59069133,
"energy_per_atom": -2.6476728325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.83269133,
"band_gap": 1.3877000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.157000Z",
"spacegroup": 186
},
{
"id": "mp-568927",
"created_at": "2022-09-04T14:44:24.991055Z",
"structure_string": "Ag2 I2\n1.0\n4.396367 0.000000 0.000000\n0.000000 4.349774 0.000000\n0.000000 0.167327 6.094812\nAg I\n2 2\ndirect\n0.250000 0.181137 0.776744 Ag\n0.750000 0.818863 0.223256 Ag\n0.750000 0.718453 0.741350 I\n0.250000 0.281547 0.258650 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 6.689685269394208,
"density_atomic": 0.03431934930612878,
"volume": 116.55232633695874,
"volume_molar": 17.547362877665517,
"formula_full": "Ag2 I2",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -10.182438090000002,
"energy_per_atom": -2.5456095225000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.42443809,
"band_gap": 1.1563,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008814,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.710000Z",
"spacegroup": 11
}
]
}