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=-energy_uncorrected&page=27",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=25",
"results": [
{
"id": "mp-1096751",
"created_at": "2022-09-04T14:42:12.959266Z",
"structure_string": "Ca2 In1 Hg1\n1.0\n-9.307240 9.307240 6.385406\n9.307240 -9.307240 6.385406\n9.307240 9.307240 -6.385406\nCa In Hg\n2 1 1\ndirect\n0.242795 0.242795 0.000000 Ca\n0.757205 0.757205 0.000000 Ca\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"In",
"Hg"
],
"chemical_system": "Ca-Hg-In",
"density": 0.29687629687682876,
"density_atomic": 0.0018078802405857432,
"volume": 2212.5359358449664,
"volume_molar": 333.1050710554179,
"formula_full": "Ca2 In1 Hg1",
"formula_reduced": "Ca2InHg",
"formula_anonymous": "ABC2",
"energy": -2.9216728,
"energy_per_atom": -0.7304182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.9216728,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5956939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.837000Z",
"spacegroup": 139
},
{
"id": "mp-13141",
"created_at": "2022-09-04T14:48:07.767680Z",
"structure_string": "Hg1 Te1\n1.0\n3.810819 0.000000 0.000000\n0.000000 3.810819 0.000000\n0.000000 0.000000 3.810819\nHg Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hg",
"Te"
],
"chemical_system": "Hg-Te",
"density": 9.847352305025527,
"density_atomic": 0.036138908385184035,
"volume": 55.34201472504758,
"volume_molar": 16.66387013081146,
"formula_full": "Hg1 Te1",
"formula_reduced": "HgTe",
"formula_anonymous": "AB",
"energy": -3.3619103000000004,
"energy_per_atom": -1.6809551500000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.9399103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.313000Z",
"spacegroup": 221
},
{
"id": "mp-2012",
"created_at": "2022-09-04T14:42:43.560617Z",
"structure_string": "Li1 Hg1\n1.0\n3.344811 0.000000 0.000000\n0.000000 3.344811 0.000000\n0.000000 0.000000 3.344811\nLi Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Hg"
],
"chemical_system": "Hg-Li",
"density": 9.209102945277461,
"density_atomic": 0.05344600491392296,
"volume": 37.420944806278484,
"volume_molar": 11.26770984978,
"formula_full": "Li1 Hg1",
"formula_reduced": "LiHg",
"formula_anonymous": "AB",
"energy": -2.96021147,
"energy_per_atom": -1.480105735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.96021147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001743,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.928000Z",
"spacegroup": 221
},
{
"id": "mp-758433",
"created_at": "2022-09-04T14:46:03.033390Z",
"structure_string": "Ag1 Hg1\n1.0\n3.453205 0.000000 0.000000\n0.000000 3.453205 0.000000\n0.000000 0.000000 3.453205\nAg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Hg"
],
"chemical_system": "Ag-Hg",
"density": 12.438795681727514,
"density_atomic": 0.048569419458539216,
"volume": 41.17817388588059,
"volume_molar": 12.399037969026454,
"formula_full": "Ag1 Hg1",
"formula_reduced": "AgHg",
"formula_anonymous": "AB",
"energy": -2.96551846,
"energy_per_atom": -1.48275923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.96551846,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.330000Z",
"spacegroup": 221
},
{
"id": "mp-1095958",
"created_at": "2022-09-04T14:47:06.586669Z",
"structure_string": "Ca1 Sn1 Hg2\n1.0\n-5.966625 6.393292 9.022291\n5.966625 -6.393292 9.022291\n5.966625 6.393292 -9.022291\nCa Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.259646 0.259646 Hg\n0.000000 0.740354 0.740354 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Hg"
],
"chemical_system": "Ca-Hg-Sn",
"density": 0.6754328847773211,
"density_atomic": 0.002905560251634056,
"volume": 1376.6708151209195,
"volume_molar": 207.26263572105285,
"formula_full": "Ca1 Sn1 Hg2",
"formula_reduced": "CaSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.96923094,
"energy_per_atom": -0.742307735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.96923094,
"band_gap": 0.0926,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.943000Z",
"spacegroup": 71
},
{
"id": "mp-1186137",
"created_at": "2022-09-04T14:43:07.005238Z",
"structure_string": "Na1 Hg3\n1.0\n4.751194 0.000000 0.000000\n0.000000 4.751194 0.000000\n0.000000 0.000000 4.751194\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\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": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.672836831635895,
"density_atomic": 0.03729509346345096,
"volume": 107.2527141920152,
"volume_molar": 16.147273543909133,
"formula_full": "Na1 Hg3",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -2.97055665,
"energy_per_atom": -0.7426391625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.97055665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.803000Z",
"spacegroup": 221
},
{
"id": "mp-1186142",
"created_at": "2022-09-04T14:40:20.953692Z",
"structure_string": "Na1 Hg3\n1.0\n0.000000 3.740925 3.740925\n3.740925 0.000000 3.740925\n3.740925 3.740925 0.000000\nNa Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 9.9082088819418,
"density_atomic": 0.03820260619912875,
"volume": 104.7048983818079,
"volume_molar": 15.763690907918585,
"formula_full": "Na1 Hg3",
"formula_reduced": "NaHg3",
"formula_anonymous": "AB3",
"energy": -2.98010689,
"energy_per_atom": -0.7450267225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.98010689,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.798000Z",
"spacegroup": 225
},
{
"id": "mp-1094862",
"created_at": "2022-09-04T14:42:43.149707Z",
"structure_string": "Mg1 Zn1\n1.0\n3.055511 0.000000 0.000000\n0.000000 3.055511 0.000000\n0.000000 0.000000 3.832878\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.163097853250339,
"density_atomic": 0.05589041014466256,
"volume": 35.78431424681532,
"volume_molar": 10.774908869719763,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -2.9962085,
"energy_per_atom": -1.49810425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.9962085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.616000Z",
"spacegroup": 123
},
{
"id": "mp-1063988",
"created_at": "2022-09-04T14:40:05.531640Z",
"structure_string": "S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3707936084368693,
"density_atomic": 0.06330701259918974,
"volume": 15.796038368311807,
"volume_molar": 9.512596650433442,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.99896608,
"energy_per_atom": -2.99896608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.99896608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.605000Z",
"spacegroup": 229
},
{
"id": "mp-140",
"created_at": "2022-09-04T14:40:30.112435Z",
"structure_string": "Ga1\n1.0\n-1.398783 1.398783 2.431817\n1.398783 -1.398783 2.431817\n1.398783 1.398783 -2.431817\nGa\n1\ndirect\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.083220943531009,
"density_atomic": 0.052542221087422625,
"volume": 19.032313048512837,
"volume_molar": 11.461526816652903,
"formula_full": "Ga1",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -3.00392285,
"energy_per_atom": -3.00392285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00392285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.202000Z",
"spacegroup": 139
},
{
"id": "mp-1185553",
"created_at": "2022-09-04T14:40:28.956689Z",
"structure_string": "Cs3 Hg1\n1.0\n6.783537 0.000000 0.000000\n0.000000 6.783537 0.000000\n0.000000 0.000000 6.783537\nCs Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Hg"
],
"chemical_system": "Cs-Hg",
"density": 3.188081289407898,
"density_atomic": 0.012814197015045237,
"volume": 312.1537771975546,
"volume_molar": 46.9958496262338,
"formula_full": "Cs3 Hg1",
"formula_reduced": "Cs3Hg",
"formula_anonymous": "AB3",
"energy": -3.00482285,
"energy_per_atom": -0.7512057125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00482285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020198,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.356000Z",
"spacegroup": 221
},
{
"id": "mp-1096977",
"created_at": "2022-09-04T14:44:29.481562Z",
"structure_string": "H1\n1.0\n2.612964 0.000000 0.000000\n0.000000 2.612964 0.000000\n0.000000 0.000000 0.985799\nH\n1\ndirect\n0.000000 0.000000 0.500000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.24867295324987948,
"density_atomic": 0.14857466993999568,
"volume": 6.730622389427931,
"volume_molar": 4.053275543154253,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -3.00810299,
"energy_per_atom": -3.00810299,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.00810299,
"band_gap": 0.2567,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.914000Z",
"spacegroup": 123
}
]
}