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=-density&page=12139",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12137",
"results": [
{
"id": "mp-1097389",
"created_at": "2022-09-04T14:43:22.063561Z",
"structure_string": "Sc2 Ti1 Tl1\n1.0\n-5.335940 6.430638 9.062008\n5.335940 -6.430638 9.062008\n5.335940 6.430638 -9.062008\nSc Ti Tl\n2 1 1\ndirect\n0.000000 0.220957 0.220957 Sc\n0.000000 0.779043 0.779043 Sc\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ti",
"Tl"
],
"chemical_system": "Sc-Ti-Tl",
"density": 0.4568057879956779,
"density_atomic": 0.003215959410216146,
"volume": 1243.7967927372435,
"volume_molar": 187.25798406750567,
"formula_full": "Sc2 Ti1 Tl1",
"formula_reduced": "Sc2TiTl",
"formula_anonymous": "ABC2",
"energy": -12.40112335,
"energy_per_atom": -3.1002808375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.40112335,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9857749,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.321000Z",
"spacegroup": 71
},
{
"id": "mp-1096205",
"created_at": "2022-09-04T14:41:51.177880Z",
"structure_string": "Sc2 Tl1 Ga1\n1.0\n-5.513035 6.574941 9.127089\n5.513035 -6.574941 9.127089\n5.513035 6.574941 -9.127089\nSc Tl Ga\n2 1 1\ndirect\n0.000000 0.238577 0.238577 Sc\n0.000000 0.761423 0.761423 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tl",
"Ga"
],
"chemical_system": "Ga-Sc-Tl",
"density": 0.45676962749261296,
"density_atomic": 0.0030226308101119438,
"volume": 1323.3505020257037,
"volume_molar": 199.23507495038632,
"formula_full": "Sc2 Tl1 Ga1",
"formula_reduced": "Sc2TlGa",
"formula_anonymous": "ABC2",
"energy": -10.19019334,
"energy_per_atom": -2.547548335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.19019334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.502000Z",
"spacegroup": 71
},
{
"id": "mp-1208130",
"created_at": "2022-09-04T14:42:22.253627Z",
"structure_string": "Yb2 Ga12\n1.0\n14.320480 0.000000 0.000000\n0.000000 14.320480 0.000000\n0.000000 0.000000 20.970766\nYb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.872779 0.000000 0.349929 Ga\n0.127221 0.000000 0.349929 Ga\n0.000000 0.872779 0.349929 Ga\n0.000000 0.127221 0.650071 Ga\n0.127221 0.000000 0.650071 Ga\n0.000000 0.127221 0.349929 Ga\n0.000000 0.872779 0.650071 Ga\n0.872779 0.000000 0.650071 Ga\n0.000000 0.500000 0.161439 Ga\n0.500000 0.000000 0.161439 Ga\n0.500000 0.000000 0.838561 Ga\n0.000000 0.500000 0.838561 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Yb",
"Ga"
],
"chemical_system": "Ga-Yb",
"density": 0.45668296591577096,
"density_atomic": 0.0032553567651698715,
"volume": 4300.60389994442,
"volume_molar": 184.99172884621612,
"formula_full": "Yb2 Ga12",
"formula_reduced": "YbGa6",
"formula_anonymous": "AB6",
"energy": -19.2812942,
"energy_per_atom": -1.3772353000000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2812942,
"band_gap": 0.0412000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.9378723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.060000Z",
"spacegroup": 123
},
{
"id": "mp-1113025",
"created_at": "2022-09-04T14:45:58.322611Z",
"structure_string": "K2 In1 Cu1 F6\n1.0\n12.413155 0.000000 0.000000\n6.206579 10.750109 0.000000\n6.206579 3.583370 10.135300\nK In Cu F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Cu\n0.246090 0.753910 0.246090 F\n0.753910 0.753910 0.246090 F\n0.753910 0.246090 0.753910 F\n0.753910 0.246090 0.246090 F\n0.246090 0.753910 0.753910 F\n0.246090 0.246090 0.753910 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Cu",
"F"
],
"chemical_system": "Cu-F-In-K",
"density": 0.45495187092404593,
"density_atomic": 0.007393811013101017,
"volume": 1352.482499523061,
"volume_molar": 81.44839987564508,
"formula_full": "K2 In1 Cu1 F6",
"formula_reduced": "K2InCuF6",
"formula_anonymous": "ABC2D6",
"energy": -24.543704230000003,
"energy_per_atom": -2.4543704230000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.77170423,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9978546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.260000Z",
"spacegroup": 225
},
{
"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-1095913",
"created_at": "2022-09-04T14:39:10.270535Z",
"structure_string": "Li1 La1 In2\n1.0\n-5.967362 6.377621 9.012363\n5.967362 -6.377621 9.012363\n5.967362 6.377621 -9.012363\nLi La In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.237042 0.237042 In\n0.000000 0.762958 0.762958 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"In"
],
"chemical_system": "In-La-Li",
"density": 0.4544634958501487,
"density_atomic": 0.002915548247285223,
"volume": 1371.9546585190456,
"volume_molar": 206.55260174848564,
"formula_full": "Li1 La1 In2",
"formula_reduced": "LiLaIn2",
"formula_anonymous": "ABC2",
"energy": -6.43087594,
"energy_per_atom": -1.607718985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.43087594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.823000Z",
"spacegroup": 71
},
{
"id": "mp-1206939",
"created_at": "2022-09-04T14:42:39.703027Z",
"structure_string": "Na2 Mg2 As1\n1.0\n6.314595 0.000000 0.000000\n0.000000 6.314595 0.000000\n0.000000 0.000000 15.549205\nNa Mg As\n2 2 1\ndirect\n0.500000 0.500000 0.181585 Na\n0.500000 0.500000 0.818415 Na\n0.500000 0.500000 0.604443 Mg\n0.500000 0.500000 0.395557 Mg\n0.500000 0.500000 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Mg",
"As"
],
"chemical_system": "As-Mg-Na",
"density": 0.45399194384762664,
"density_atomic": 0.008064376813012532,
"volume": 620.0107108006276,
"volume_molar": 74.67583546298064,
"formula_full": "Na2 Mg2 As1",
"formula_reduced": "Na2Mg2As",
"formula_anonymous": "AB2C2",
"energy": -5.679506720000001,
"energy_per_atom": -1.135901344,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.679506720000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7793885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.133000Z",
"spacegroup": 123
},
{
"id": "mp-1096024",
"created_at": "2022-09-04T14:41:59.345155Z",
"structure_string": "La1 Mg1 In2\n1.0\n-5.908677 6.546388 9.290393\n5.908677 -6.546388 9.290393\n5.908677 6.546388 -9.290393\nLa Mg In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.247562 0.247562 In\n0.000000 0.752438 0.752438 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Mg",
"In"
],
"chemical_system": "In-La-Mg",
"density": 0.4538223533380215,
"density_atomic": 0.0027827482759669253,
"volume": 1437.427896208152,
"volume_molar": 216.40982808290408,
"formula_full": "La1 Mg1 In2",
"formula_reduced": "LaMgIn2",
"formula_anonymous": "ABC2",
"energy": -5.96633085,
"energy_per_atom": -1.4915827125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.96633085,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0096186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.354000Z",
"spacegroup": 71
},
{
"id": "mp-1096207",
"created_at": "2022-09-04T14:40:00.900954Z",
"structure_string": "Al1 Fe2 Ge1\n1.0\n-4.697955 5.394012 7.644734\n4.697955 -5.394012 7.644734\n4.697955 5.394012 -7.644734\nAl Fe Ge\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.254994 0.254994 Fe\n0.000000 0.745006 0.745006 Fe\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Fe",
"Ge"
],
"chemical_system": "Al-Fe-Ge",
"density": 0.45282373118628316,
"density_atomic": 0.005161986454088657,
"volume": 774.89548559968,
"volume_molar": 116.66324221424566,
"formula_full": "Al1 Fe2 Ge1",
"formula_reduced": "AlFe2Ge",
"formula_anonymous": "ABC2",
"energy": -15.93487121,
"energy_per_atom": -3.9837178025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.93487121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1173557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.422000Z",
"spacegroup": 71
},
{
"id": "mp-1210439",
"created_at": "2022-09-04T14:48:24.084190Z",
"structure_string": "Sm2 Ga12\n1.0\n17.851547 0.000000 0.000000\n0.000000 17.851547 0.000000\n0.000000 0.000000 13.106840\nSm Ga\n2 12\ndirect\n0.000000 0.500000 0.000000 Sm\n0.500000 0.000000 0.000000 Sm\n0.000000 0.892156 0.402774 Ga\n0.000000 0.107844 0.402774 Ga\n0.892156 0.000000 0.402774 Ga\n0.107844 0.000000 0.597226 Ga\n0.000000 0.107844 0.597226 Ga\n0.107844 0.000000 0.402774 Ga\n0.892156 0.000000 0.597226 Ga\n0.000000 0.892156 0.597226 Ga\n0.500000 0.000000 0.218800 Ga\n0.000000 0.500000 0.218800 Ga\n0.000000 0.500000 0.781200 Ga\n0.500000 0.000000 0.781200 Ga\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sm",
"Ga"
],
"chemical_system": "Ga-Sm",
"density": 0.45217972026178166,
"density_atomic": 0.0033518017429680436,
"volume": 4176.858022516243,
"volume_molar": 179.66876390091474,
"formula_full": "Sm2 Ga12",
"formula_reduced": "SmGa6",
"formula_anonymous": "AB6",
"energy": -26.18422238,
"energy_per_atom": -1.8703015985714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.18422238,
"band_gap": 0.1123000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.1774394,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:28.709000Z",
"spacegroup": 123
},
{
"id": "mp-1095937",
"created_at": "2022-09-04T14:43:58.437925Z",
"structure_string": "Rb2 Hg1 Se1\n1.0\n-6.548602 6.901167 9.152045\n6.548602 -6.901167 9.152045\n6.548602 6.901167 -9.152045\nRb Hg Se\n2 1 1\ndirect\n0.214174 0.000000 0.214174 Rb\n0.785826 0.000000 0.785826 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Hg",
"Se"
],
"chemical_system": "Hg-Rb-Se",
"density": 0.4521481300130286,
"density_atomic": 0.002417746258038184,
"volume": 1654.433332985776,
"volume_molar": 249.08076023190733,
"formula_full": "Rb2 Hg1 Se1",
"formula_reduced": "Rb2HgSe",
"formula_anonymous": "ABC2",
"energy": -6.60894646,
"energy_per_atom": -1.652236615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.13694646,
"band_gap": 0.3878999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.485000Z",
"spacegroup": 71
},
{
"id": "mp-1093694",
"created_at": "2022-09-04T14:46:35.391886Z",
"structure_string": "Ba2 Cd1 Sn1\n1.0\n-6.844492 6.943532 9.799033\n6.844492 -6.943532 9.799033\n6.844492 6.943532 -9.799033\nBa Cd Sn\n2 1 1\ndirect\n0.000000 0.268768 0.268768 Ba\n0.000000 0.731232 0.731232 Ba\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Sn"
],
"chemical_system": "Ba-Cd-Sn",
"density": 0.4508598716962968,
"density_atomic": 0.002147311837341849,
"volume": 1862.7941831455594,
"volume_molar": 280.45021944529447,
"formula_full": "Ba2 Cd1 Sn1",
"formula_reduced": "Ba2CdSn",
"formula_anonymous": "ABC2",
"energy": -4.7899108,
"energy_per_atom": -1.1974777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.7899108,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.599000Z",
"spacegroup": 71
}
]
}