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&page=142",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=140",
"results": [
{
"id": "mp-979986",
"created_at": "2022-09-04T14:45:41.149933Z",
"structure_string": "Ba1 Ca1 Yb2\n1.0\n0.000000 4.492261 4.492261\n4.492261 0.000000 4.492261\n4.492261 4.492261 0.000000\nBa Ca Yb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ca",
"Yb"
],
"chemical_system": "Ba-Ca-Yb",
"density": 4.794335271252021,
"density_atomic": 0.022061500798754536,
"volume": 181.31132766025675,
"volume_molar": 27.29705841381369,
"formula_full": "Ba1 Ca1 Yb2",
"formula_reduced": "BaCaYb2",
"formula_anonymous": "ABC2",
"energy": -6.85324758,
"energy_per_atom": -1.713311895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.85324758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.334000Z",
"spacegroup": 225
},
{
"id": "mp-1096285",
"created_at": "2022-09-04T14:45:31.334232Z",
"structure_string": "Li2 Cu1 Ag1\n1.0\n-4.990771 5.135618 7.252674\n4.990771 -5.135618 7.252674\n4.990771 5.135618 -7.252674\nLi Cu Ag\n2 1 1\ndirect\n0.000000 0.243824 0.243824 Li\n0.000000 0.756176 0.756176 Li\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Li",
"density": 0.413806308404628,
"density_atomic": 0.005379494749379259,
"volume": 743.5642539592702,
"volume_molar": 111.94621503617783,
"formula_full": "Li2 Cu1 Ag1",
"formula_reduced": "Li2CuAg",
"formula_anonymous": "ABC2",
"energy": -6.85383808,
"energy_per_atom": -1.71345952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.85383808,
"band_gap": 1.8349,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003415,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.623000Z",
"spacegroup": 71
},
{
"id": "mp-1093788",
"created_at": "2022-09-04T14:44:16.396487Z",
"structure_string": "Mg2 Ag1 Pd1\n1.0\n-5.114712 5.760992 8.147169\n5.114712 -5.760992 8.147169\n5.114712 5.760992 -8.147169\nMg Ag Pd\n2 1 1\ndirect\n0.000000 0.240020 0.240020 Mg\n0.000000 0.759980 0.759980 Mg\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ag",
"Pd"
],
"chemical_system": "Ag-Mg-Pd",
"density": 0.4546231397899502,
"density_atomic": 0.004165573657810307,
"volume": 960.2518953182207,
"volume_molar": 144.56930196657774,
"formula_full": "Mg2 Ag1 Pd1",
"formula_reduced": "Mg2AgPd",
"formula_anonymous": "ABC2",
"energy": -6.85767646,
"energy_per_atom": -1.714419115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.85767646,
"band_gap": 0.0347999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.517000Z",
"spacegroup": 71
},
{
"id": "mp-1186045",
"created_at": "2022-09-04T14:39:21.615038Z",
"structure_string": "Na3 Ga1\n1.0\n0.000000 3.825621 3.825621\n3.825621 0.000000 3.825621\n3.825621 3.825621 0.000000\nNa Ga\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Ga"
],
"chemical_system": "Ga-Na",
"density": 2.056674902481004,
"density_atomic": 0.03572104598293508,
"volume": 111.97880380968992,
"volume_molar": 16.858802966959423,
"formula_full": "Na3 Ga1",
"formula_reduced": "Na3Ga",
"formula_anonymous": "AB3",
"energy": -6.85781821,
"energy_per_atom": -1.7144545525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.85781821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100742,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.236000Z",
"spacegroup": 225
},
{
"id": "mp-569639",
"created_at": "2022-09-04T14:41:17.065368Z",
"structure_string": "Tl1 Cl1\n1.0\n0.000000 3.265865 3.265865\n3.265865 0.000000 3.265865\n3.265865 3.265865 0.000000\nTl Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 5.716620099833653,
"density_atomic": 0.02870815712595675,
"volume": 69.66661047677216,
"volume_molar": 20.97710672816063,
"formula_full": "Tl1 Cl1",
"formula_reduced": "TlCl",
"formula_anonymous": "AB",
"energy": -6.85916845,
"energy_per_atom": -3.429584225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.24516845,
"band_gap": 2.5369,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.333000Z",
"spacegroup": 225
},
{
"id": "mp-1096655",
"created_at": "2022-09-04T14:39:32.484703Z",
"structure_string": "Zr1 Zn2 Au1\n1.0\n-5.347699 5.589780 7.917960\n5.347699 -5.589780 7.917960\n5.347699 5.589780 -7.917960\nZr Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.264185 0.264185 Zn\n0.000000 0.735815 0.735815 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Zn",
"Au"
],
"chemical_system": "Au-Zn-Zr",
"density": 0.7349148741288638,
"density_atomic": 0.00422498358991904,
"volume": 946.7492393447733,
"volume_molar": 142.53642959392886,
"formula_full": "Zr1 Zn2 Au1",
"formula_reduced": "ZrZn2Au",
"formula_anonymous": "ABC2",
"energy": -6.86272655,
"energy_per_atom": -1.7156816375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.86272655,
"band_gap": 0.2501000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.598000Z",
"spacegroup": 71
},
{
"id": "mp-1018126",
"created_at": "2022-09-04T14:45:15.565489Z",
"structure_string": "Ga1 Bi1\n1.0\n0.000000 3.230000 3.230000\n3.230000 0.000000 3.230000\n3.230000 3.230000 0.000000\nGa Bi\n1 1\ndirect\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Bi"
],
"chemical_system": "Bi-Ga",
"density": 6.866790563654896,
"density_atomic": 0.0296751165275057,
"volume": 67.396534,
"volume_molar": 20.293570724206294,
"formula_full": "Ga1 Bi1",
"formula_reduced": "GaBi",
"formula_anonymous": "AB",
"energy": -6.86389626,
"energy_per_atom": -3.43194813,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.86389626,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.486000Z",
"spacegroup": 216
},
{
"id": "mp-1058159",
"created_at": "2022-09-04T14:47:02.270800Z",
"structure_string": "Na1 S1\n1.0\n3.400517 0.000000 0.000000\n0.000000 3.400517 0.000000\n0.000000 0.000000 3.400517\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 2.3249263165917364,
"density_atomic": 0.05086220039820761,
"volume": 39.32193228648598,
"volume_molar": 11.840110559220362,
"formula_full": "Na1 S1",
"formula_reduced": "NaS",
"formula_anonymous": "AB",
"energy": -6.86522834,
"energy_per_atom": -3.43261417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36222834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.924000Z",
"spacegroup": 221
},
{
"id": "mp-2806",
"created_at": "2022-09-04T14:46:58.834411Z",
"structure_string": "Yb1 Sn1\n1.0\n3.475707 0.000000 0.000000\n0.000000 3.475707 0.000000\n0.000000 0.000000 4.511120\nYb Sn\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 8.889744215044427,
"density_atomic": 0.03669942827893327,
"volume": 54.49676176966682,
"volume_molar": 16.409358517056013,
"formula_full": "Yb1 Sn1",
"formula_reduced": "YbSn",
"formula_anonymous": "AB",
"energy": -6.8670468,
"energy_per_atom": -3.4335234,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.8670468,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.93e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.193000Z",
"spacegroup": 123
},
{
"id": "mp-864758",
"created_at": "2022-09-04T14:48:01.573406Z",
"structure_string": "Na3 In1\n1.0\n-2.448806 2.448806 5.012410\n2.448806 -2.448806 5.012410\n2.448806 2.448806 -5.012410\nNa In\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"In"
],
"chemical_system": "In-Na",
"density": 2.538336958345184,
"density_atomic": 0.03326937565907499,
"volume": 120.23069025970456,
"volume_molar": 18.101153510397545,
"formula_full": "Na3 In1",
"formula_reduced": "Na3In",
"formula_anonymous": "AB3",
"energy": -6.8682583,
"energy_per_atom": -1.717064575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.8682583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.827000Z",
"spacegroup": 139
},
{
"id": "mp-962075",
"created_at": "2022-09-04T14:46:21.727119Z",
"structure_string": "Sr1 Mg1 Sn1\n1.0\n0.000000 3.806168 3.806168\n3.806168 0.000000 3.806168\n3.806168 3.806168 0.000000\nSr Mg Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn-Sr",
"density": 3.4728054561303288,
"density_atomic": 0.027203663749396468,
"volume": 110.27926339762074,
"volume_molar": 22.137241569652932,
"formula_full": "Sr1 Mg1 Sn1",
"formula_reduced": "SrMgSn",
"formula_anonymous": "ABC",
"energy": -6.869020279999999,
"energy_per_atom": -2.2896734266666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.869020279999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0508656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.611000Z",
"spacegroup": 216
},
{
"id": "mp-570835",
"created_at": "2022-09-04T14:40:38.197405Z",
"structure_string": "Ni1 Hg4\n1.0\n-3.091848 3.091848 3.091848\n3.091848 -3.091848 3.091848\n3.091848 3.091848 -3.091848\nNi Hg\n1 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 12.093855813988256,
"density_atomic": 0.04229174524376215,
"volume": 118.22638132290079,
"volume_molar": 14.239518197438871,
"formula_full": "Ni1 Hg4",
"formula_reduced": "NiHg4",
"formula_anonymous": "AB4",
"energy": -6.86926652,
"energy_per_atom": -1.373853304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.86926652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.382000Z",
"spacegroup": 229
}
]
}