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=12132",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=12130",
"results": [
{
"id": "mp-2388",
"created_at": "2022-09-04T14:41:29.013828Z",
"structure_string": "Cd1 Te1\n1.0\n0.000000 3.066564 3.066564\n3.066564 0.000000 3.066564\n3.066564 3.066564 0.000000\nCd Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Te"
],
"chemical_system": "Cd-Te",
"density": 6.910256200990951,
"density_atomic": 0.03467719024912313,
"volume": 57.674799648756824,
"volume_molar": 17.36628808948061,
"formula_full": "Cd1 Te1",
"formula_reduced": "CdTe",
"formula_anonymous": "AB",
"energy": -5.05826192,
"energy_per_atom": -2.52913096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.63626192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001486,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.195000Z",
"spacegroup": 225
},
{
"id": "mp-1095730",
"created_at": "2022-09-04T14:39:58.996071Z",
"structure_string": "Tl2 Cd1 In1\n1.0\n-6.038936 6.254932 8.846123\n6.038936 -6.254932 8.846123\n6.038936 6.254932 -8.846123\nTl Cd In\n2 1 1\ndirect\n0.000000 0.255709 0.255709 Tl\n0.000000 0.744291 0.744291 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"In"
],
"chemical_system": "Cd-In-Tl",
"density": 0.7901457779772807,
"density_atomic": 0.0029927056712614262,
"volume": 1336.583158982687,
"volume_molar": 201.22729802098,
"formula_full": "Tl2 Cd1 In1",
"formula_reduced": "Tl2CdIn",
"formula_anonymous": "ABC2",
"energy": -4.63551041,
"energy_per_atom": -1.1588776025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.63551041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7206687,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.187000Z",
"spacegroup": 71
},
{
"id": "mp-4",
"created_at": "2022-09-04T14:45:56.396145Z",
"structure_string": "Nd1\n1.0\n-2.066667 2.066667 2.066667\n2.066667 -2.066667 2.066667\n2.066667 2.066667 -2.066667\nNd\n1\ndirect\n0.000000 0.000000 0.000000 Nd\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Nd"
],
"chemical_system": "Nd",
"density": 6.783742073945273,
"density_atomic": 0.028322298403343386,
"volume": 35.307868936299045,
"volume_molar": 21.262895667002432,
"formula_full": "Nd1",
"formula_reduced": "Nd",
"formula_anonymous": "A",
"energy": -4.62818377,
"energy_per_atom": -4.62818377,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.62818377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5567615,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.846000Z",
"spacegroup": 229
},
{
"id": "mp-1096231",
"created_at": "2022-09-04T14:43:07.690306Z",
"structure_string": "Li1 Mg2 Cu1\n1.0\n-5.444042 5.510813 7.695358\n5.444042 -5.510813 7.695358\n5.444042 5.510813 -7.695358\nLi Mg Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.735261 0.000000 0.735261 Mg\n0.264739 0.000000 0.264739 Mg\n0.500000 0.000000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Cu"
],
"chemical_system": "Cu-Li-Mg",
"density": 0.214152899119336,
"density_atomic": 0.00433145722597345,
"volume": 923.476740348288,
"volume_molar": 139.03267297408405,
"formula_full": "Li1 Mg2 Cu1",
"formula_reduced": "LiMg2Cu",
"formula_anonymous": "ABC2",
"energy": -4.61967196,
"energy_per_atom": -1.15491799,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61967196,
"band_gap": 0.8963999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.595000Z",
"spacegroup": 71
},
{
"id": "mp-972364",
"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.005866629959364,
"density_atomic": 0.024381827904520453,
"volume": 123.04245652737924,
"volume_molar": 24.69929975546862,
"formula_full": "Yb3",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -4.61882484,
"energy_per_atom": -1.5396082800000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61882484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.708000Z",
"spacegroup": 166
},
{
"id": "mp-7163",
"created_at": "2022-09-04T14:40:14.908624Z",
"structure_string": "Tb1\n1.0\n0.000000 2.517929 2.517929\n2.517929 0.000000 2.517929\n2.517929 2.517929 0.000000\nTb\n1\ndirect\n0.000000 0.000000 0.000000 Tb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.265741875915388,
"density_atomic": 0.03132128454006295,
"volume": 31.927170762134715,
"volume_molar": 19.226991639813175,
"formula_full": "Tb1",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -4.61548096,
"energy_per_atom": -4.61548096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61548096,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023243,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.487000Z",
"spacegroup": 225
},
{
"id": "mp-1096082",
"created_at": "2022-09-04T14:40:57.794248Z",
"structure_string": "Li2 Hg1 Pb1\n1.0\n-5.612952 5.769522 8.125930\n5.612952 -5.769522 8.125930\n5.612952 5.769522 -8.125930\nLi Hg Pb\n2 1 1\ndirect\n0.000000 0.255138 0.255138 Li\n0.000000 0.744862 0.744862 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pb"
],
"chemical_system": "Hg-Li-Pb",
"density": 0.6652113200672354,
"density_atomic": 0.003800106439104034,
"volume": 1052.6020952568622,
"volume_molar": 158.47294954769384,
"formula_full": "Li2 Hg1 Pb1",
"formula_reduced": "Li2HgPb",
"formula_anonymous": "ABC2",
"energy": -4.6086178,
"energy_per_atom": -1.15215445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.6086178,
"band_gap": 0.0074,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.311000Z",
"spacegroup": 71
},
{
"id": "mp-1094712",
"created_at": "2022-09-04T14:41:56.415541Z",
"structure_string": "Sr2 Mg2\n1.0\n3.009909 -5.213316 0.000000\n3.009909 5.213316 0.000000\n0.000000 0.000000 7.102601\nSr Mg\n2 2\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.333333 0.666667 0.750000 Mg\n0.666667 0.333333 0.250000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 1.6675980043831855,
"density_atomic": 0.01794507021123273,
"volume": 222.90244356336913,
"volume_molar": 33.558747272164126,
"formula_full": "Sr2 Mg2",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -4.6077244,
"energy_per_atom": -1.1519311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.6077244,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.547000Z",
"spacegroup": 194
},
{
"id": "mp-1009491",
"created_at": "2022-09-04T14:41:36.559085Z",
"structure_string": "Rb1 Te1\n1.0\n0.000000 4.201657 4.201657\n4.201657 0.000000 4.201657\n4.201657 4.201657 0.000000\nRb Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Rb",
"Te"
],
"chemical_system": "Rb-Te",
"density": 2.3849272459738864,
"density_atomic": 0.013481499863026901,
"volume": 148.35144607945386,
"volume_molar": 44.66966451200106,
"formula_full": "Rb1 Te1",
"formula_reduced": "RbTe",
"formula_anonymous": "AB",
"energy": -5.020536219999999,
"energy_per_atom": -2.5102681099999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.59853622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.329000Z",
"spacegroup": 216
},
{
"id": "mp-1095904",
"created_at": "2022-09-04T14:42:44.022552Z",
"structure_string": "Ba2 Hg1 Au1\n1.0\n-6.716582 6.903016 9.508558\n6.716582 -6.903016 9.508558\n6.716582 6.903016 -9.508558\nBa Hg Au\n2 1 1\ndirect\n0.230495 0.000000 0.230495 Ba\n0.769505 0.000000 0.769505 Ba\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Hg",
"Au"
],
"chemical_system": "Au-Ba-Hg",
"density": 0.6329837799106102,
"density_atomic": 0.002268287705387668,
"volume": 1763.4447299163794,
"volume_molar": 265.4928096509155,
"formula_full": "Ba2 Hg1 Au1",
"formula_reduced": "Ba2HgAu",
"formula_anonymous": "ABC2",
"energy": -4.59811705,
"energy_per_atom": -1.1495292625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.59811705,
"band_gap": 0.2661,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0001926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.271000Z",
"spacegroup": 71
},
{
"id": "mp-1016231",
"created_at": "2022-09-04T14:39:22.643847Z",
"structure_string": "Cs1 Mg3\n1.0\n3.752604 0.000000 0.000000\n0.000000 4.900757 0.000000\n0.000000 0.000000 8.434517\nCs Mg\n1 3\ndirect\n0.500000 0.000000 0.137593 Cs\n0.000000 0.000000 0.664189 Mg\n0.000000 0.500000 0.449180 Mg\n0.500000 0.500000 0.749038 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Mg"
],
"chemical_system": "Cs-Mg",
"density": 2.203339909102662,
"density_atomic": 0.025787180927528144,
"volume": 155.11583104960297,
"volume_molar": 23.35323421712719,
"formula_full": "Cs1 Mg3",
"formula_reduced": "CsMg3",
"formula_anonymous": "AB3",
"energy": -4.59153634,
"energy_per_atom": -1.147884085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.59153634,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018796,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.993000Z",
"spacegroup": 25
},
{
"id": "mp-1093734",
"created_at": "2022-09-04T14:42:14.199620Z",
"structure_string": "Sr2 Li1 Pb1\n1.0\n-6.752733 6.890438 9.769051\n6.752733 -6.890438 9.769051\n6.752733 6.890438 -9.769051\nSr Li Pb\n2 1 1\ndirect\n0.739434 0.000000 0.739434 Sr\n0.260566 0.000000 0.260566 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Pb"
],
"chemical_system": "Li-Pb-Sr",
"density": 0.3556190994494182,
"density_atomic": 0.0021999925775206515,
"volume": 1818.1879524829676,
"volume_molar": 273.73459444971553,
"formula_full": "Sr2 Li1 Pb1",
"formula_reduced": "Sr2LiPb",
"formula_anonymous": "ABC2",
"energy": -4.58924092,
"energy_per_atom": -1.14731023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.58924092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.552000Z",
"spacegroup": 71
}
]
}