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=-nsites&page=12165",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nsites&page=12163",
"results": [
{
"id": "mp-1066989",
"created_at": "2022-09-04T14:48:05.537059Z",
"structure_string": "H2\n1.0\n1.312194 -2.252960 0.000000\n1.312194 2.252960 0.000000\n0.000000 0.000000 2.608958\nH\n2\ndirect\n0.582655 0.417345 0.000000 H\n0.417345 0.582655 0.000000 H\n",
"nsites": 2,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.2170027119837974,
"density_atomic": 0.12965264572492172,
"volume": 15.425832529814404,
"volume_molar": 4.644826741736463,
"formula_full": "H2",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -6.68052013,
"energy_per_atom": -3.340260065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.68052013,
"band_gap": 6.2332,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.242000Z",
"spacegroup": 65
},
{
"id": "mp-1206819",
"created_at": "2022-09-04T14:47:46.623918Z",
"structure_string": "Zn1 Ir1\n1.0\n1.406065 -2.435377 0.000000\n1.406065 2.435377 0.000000\n0.000000 0.000000 4.180885\nZn Ir\n1 1\ndirect\n0.666667 0.333333 0.500000 Zn\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Ir"
],
"chemical_system": "Ir-Zn",
"density": 14.940632120728665,
"density_atomic": 0.06984899793149653,
"volume": 28.63319531028166,
"volume_molar": 8.621656628354401,
"formula_full": "Zn1 Ir1",
"formula_reduced": "ZnIr",
"formula_anonymous": "AB",
"energy": -10.48618992,
"energy_per_atom": -5.24309496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.48618992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.302000Z",
"spacegroup": 187
},
{
"id": "mp-1180619",
"created_at": "2022-09-04T14:47:55.338079Z",
"structure_string": "Li1 O1\n1.0\n2.538121 0.000000 0.000000\n0.000000 2.538121 0.000000\n0.000000 0.000000 2.538121\nLi O\n1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.3297703638583824,
"density_atomic": 0.12231874836079697,
"volume": 16.35072322765034,
"volume_molar": 4.923317840235594,
"formula_full": "Li1 O1",
"formula_reduced": "LiO",
"formula_anonymous": "AB",
"energy": -9.5791606,
"energy_per_atom": -4.7895803,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.8921606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0005528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.857000Z",
"spacegroup": 221
},
{
"id": "mp-20494",
"created_at": "2022-09-04T14:48:00.528754Z",
"structure_string": "La1 As1\n1.0\n3.901181 0.000000 0.000000\n0.000000 3.901181 0.000000\n0.000000 0.000000 3.388717\nLa As\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"La",
"As"
],
"chemical_system": "As-La",
"density": 6.884688263391021,
"density_atomic": 0.03877952574029899,
"volume": 51.57360647971091,
"volume_molar": 15.529175886083358,
"formula_full": "La1 As1",
"formula_reduced": "LaAs",
"formula_anonymous": "AB",
"energy": -11.98246296,
"energy_per_atom": -5.99123148,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.98246296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.409000Z",
"spacegroup": 123
},
{
"id": "mp-8023",
"created_at": "2022-09-04T14:48:01.022642Z",
"structure_string": "Al1 O1\n1.0\n0.000000 2.238265 2.238265\n2.238265 0.000000 2.238265\n2.238265 2.238265 0.000000\nAl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.1824419169671163,
"density_atomic": 0.08917959363094626,
"volume": 22.426655230978525,
"volume_molar": 6.752823728847149,
"formula_full": "Al1 O1",
"formula_reduced": "AlO",
"formula_anonymous": "AB",
"energy": -11.79776811,
"energy_per_atom": -5.898884055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.11076811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029123,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.094000Z",
"spacegroup": 225
},
{
"id": "mp-1006882",
"created_at": "2022-09-04T14:48:06.054709Z",
"structure_string": "Cd1 C1\n1.0\n0.000000 2.593333 2.593333\n2.593333 0.000000 2.593333\n2.593333 2.593333 0.000000\nCd C\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"C"
],
"chemical_system": "C-Cd",
"density": 5.922981461882066,
"density_atomic": 0.05733570284709312,
"volume": 34.88227928998691,
"volume_molar": 10.503299795696702,
"formula_full": "Cd1 C1",
"formula_reduced": "CdC",
"formula_anonymous": "AB",
"energy": -5.93439696,
"energy_per_atom": -2.96719848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.93439696,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.822000Z",
"spacegroup": 216
},
{
"id": "mp-1830",
"created_at": "2022-09-04T14:47:57.318175Z",
"structure_string": "Np1 Te1\n1.0\n3.778627 0.000000 0.000000\n0.000000 3.778627 0.000000\n0.000000 0.000000 3.778627\nNp Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Np\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"Te"
],
"chemical_system": "Np-Te",
"density": 11.221830157191675,
"density_atomic": 0.03707045574041425,
"volume": 53.951319455174584,
"volume_molar": 16.245121997339393,
"formula_full": "Np1 Te1",
"formula_reduced": "NpTe",
"formula_anonymous": "AB",
"energy": -17.61339761,
"energy_per_atom": -8.806698805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.19139761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9733867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.840000Z",
"spacegroup": 221
},
{
"id": "mp-1212609",
"created_at": "2022-09-04T14:47:55.316286Z",
"structure_string": "Ga1 Pd1\n1.0\n3.120572 0.000000 0.000000\n0.000000 3.120572 0.000000\n0.000000 0.000000 3.120572\nGa Pd\n1 1\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd",
"density": 9.62524658101926,
"density_atomic": 0.06581537702961576,
"volume": 30.388035293029393,
"volume_molar": 9.150051297723543,
"formula_full": "Ga1 Pd1",
"formula_reduced": "GaPd",
"formula_anonymous": "AB",
"energy": -9.36140865,
"energy_per_atom": -4.680704325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.36140865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.409000Z",
"spacegroup": 221
},
{
"id": "mp-7591",
"created_at": "2022-09-04T14:47:59.442481Z",
"structure_string": "Ge1 As1\n1.0\n-1.866595 1.866595 3.029037\n1.866595 -1.866595 3.029037\n1.866595 1.866595 -3.029037\nGe As\n1 1\ndirect\n0.998054 0.998054 0.000000 Ge\n0.415946 0.415946 0.000000 As\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"As"
],
"chemical_system": "As-Ge",
"density": 5.804404726809452,
"density_atomic": 0.04737674612492078,
"volume": 42.214802906187224,
"volume_molar": 12.711174262835828,
"formula_full": "Ge1 As1",
"formula_reduced": "GeAs",
"formula_anonymous": "AB",
"energy": -9.15737074,
"energy_per_atom": -4.57868537,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.15737074,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.501000Z",
"spacegroup": 107
},
{
"id": "mp-1408",
"created_at": "2022-09-04T14:47:55.747892Z",
"structure_string": "Mg1 Hg1\n1.0\n3.499559 0.000000 0.000000\n0.000000 3.499559 0.000000\n0.000000 0.000000 3.499559\nMg Hg\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 8.713425817011279,
"density_atomic": 0.04666486741812279,
"volume": 42.85879529196474,
"volume_molar": 12.905084902611849,
"formula_full": "Mg1 Hg1",
"formula_reduced": "MgHg",
"formula_anonymous": "AB",
"energy": -2.33452761,
"energy_per_atom": -1.167263805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.33452761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000368,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:18.130000Z",
"spacegroup": 221
},
{
"id": "mp-1038915",
"created_at": "2022-09-04T14:47:55.314236Z",
"structure_string": "Ca1 Zn1\n1.0\n1.959085 -3.393235 0.000000\n1.959085 3.393235 0.000000\n0.000000 0.000000 4.330628\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.0422853513239145,
"density_atomic": 0.034736167725103635,
"volume": 57.5768753717357,
"volume_molar": 17.336802400478486,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.36800022,
"energy_per_atom": -1.68400011,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36800022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.649000Z",
"spacegroup": 187
},
{
"id": "mp-1094318",
"created_at": "2022-09-04T14:47:55.254853Z",
"structure_string": "Sr1 Mg1\n1.0\n5.646834 -2.041807 0.000000\n5.646834 2.041807 0.000000\n4.908548 0.000000 3.458592\nSr Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.3303822457427046,
"density_atomic": 0.025077310544234604,
"volume": 79.75336894569062,
"volume_molar": 24.014300693758088,
"formula_full": "Sr1 Mg1",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -3.01583774,
"energy_per_atom": -1.50791887,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.01583774,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0111156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.194000Z",
"spacegroup": 166
}
]
}