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_per_atom&page=10196",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10194",
"results": [
{
"id": "mp-998755",
"created_at": "2022-09-04T14:43:50.840864Z",
"structure_string": "Rb2 Sr2 Cl6\n1.0\n7.553902 -3.869244 0.000000\n7.553902 3.869244 0.000000\n5.572007 0.000000 6.401971\nRb Sr Cl\n2 2 6\ndirect\n0.859507 0.859507 0.859507 Rb\n0.140493 0.140493 0.140493 Rb\n0.656417 0.656417 0.656417 Sr\n0.343583 0.343583 0.343583 Sr\n0.703703 0.054561 0.467915 Cl\n0.467915 0.703703 0.054561 Cl\n0.054561 0.467915 0.703703 Cl\n0.296297 0.945439 0.532085 Cl\n0.945439 0.532085 0.296297 Cl\n0.532085 0.296297 0.945439 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Sr",
"Cl"
],
"chemical_system": "Cl-Rb-Sr",
"density": 2.4799165771920224,
"density_atomic": 0.026721377210382747,
"volume": 374.2322082154673,
"volume_molar": 22.536790347991726,
"formula_full": "Rb2 Sr2 Cl6",
"formula_reduced": "RbSrCl3",
"formula_anonymous": "ABC3",
"energy": -42.83996577,
"energy_per_atom": -4.283996577,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.15596577,
"band_gap": 5.318,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.100000Z",
"spacegroup": 148
},
{
"id": "mp-1206683",
"created_at": "2022-09-04T14:48:02.014254Z",
"structure_string": "Pb1 S2\n1.0\n1.937621 -3.356059 0.000000\n1.937621 3.356059 0.000000\n0.000000 0.000000 6.099749\nPb S\n1 2\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.252666 S\n0.666667 0.333333 0.747334 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"S"
],
"chemical_system": "Pb-S",
"density": 5.679453291767977,
"density_atomic": 0.037816460223372005,
"volume": 79.33053443605719,
"volume_molar": 15.924654831332122,
"formula_full": "Pb1 S2",
"formula_reduced": "PbS2",
"formula_anonymous": "AB2",
"energy": -12.85171348,
"energy_per_atom": -4.283904493333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.84571348,
"band_gap": 0.4437000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.986000Z",
"spacegroup": 164
},
{
"id": "mp-1079744",
"created_at": "2022-09-04T14:47:23.339256Z",
"structure_string": "Sm3 Cd3 Pd3\n1.0\n3.868901 -6.701133 0.000000\n3.868901 6.701133 0.000000\n0.000000 0.000000 3.966143\nSm Cd Pd\n3 3 3\ndirect\n0.405604 0.405604 0.500000 Sm\n0.594396 0.000000 0.500000 Sm\n0.000000 0.594396 0.500000 Sm\n0.745266 0.745266 0.000000 Cd\n0.254734 0.000000 0.000000 Cd\n0.000000 0.254734 0.000000 Cd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"Pd"
],
"chemical_system": "Cd-Pd-Sm",
"density": 8.943082532848038,
"density_atomic": 0.04376312141389135,
"volume": 205.6526067892225,
"volume_molar": 13.760766063840327,
"formula_full": "Sm3 Cd3 Pd3",
"formula_reduced": "SmCdPd",
"formula_anonymous": "ABC",
"energy": -38.55487509999999,
"energy_per_atom": -4.28387501111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.55487509999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1042005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.327000Z",
"spacegroup": 189
},
{
"id": "mp-1187437",
"created_at": "2022-09-04T14:41:00.168246Z",
"structure_string": "Th1 Cd1 Cu2\n1.0\n0.000000 3.406548 3.406548\n3.406548 0.000000 3.406548\n3.406548 3.406548 0.000000\nTh Cd Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-Th",
"density": 9.903645330235452,
"density_atomic": 0.05059253693530339,
"volume": 79.06304451810968,
"volume_molar": 11.90321957505507,
"formula_full": "Th1 Cd1 Cu2",
"formula_reduced": "ThCdCu2",
"formula_anonymous": "ABC2",
"energy": -17.13518502,
"energy_per_atom": -4.283796255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.13518502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000142,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.945000Z",
"spacegroup": 225
},
{
"id": "mp-1227013",
"created_at": "2022-09-04T14:47:23.221059Z",
"structure_string": "Cd2 Sb6 S11\n1.0\n3.884688 0.000000 0.000000\n0.000000 9.362750 0.000000\n0.000000 0.780441 13.246808\nCd Sb S\n2 6 11\ndirect\n0.500000 0.748497 0.275407 Cd\n0.000000 0.281038 0.810888 Cd\n0.500000 0.245996 0.221874 Sb\n0.000000 0.735248 0.704895 Sb\n0.000000 0.555438 0.997594 Sb\n0.500000 0.444980 0.507087 Sb\n0.000000 0.076025 0.480640 Sb\n0.500000 0.943754 0.978516 Sb\n0.000000 0.175480 0.111271 S\n0.500000 0.805675 0.590742 S\n0.000000 0.654091 0.377556 S\n0.500000 0.344768 0.925740 S\n0.000000 0.780881 0.105296 S\n0.500000 0.189586 0.594407 S\n0.500000 0.024129 0.333554 S\n0.000000 0.000510 0.844370 S\n0.000000 0.321746 0.393873 S\n0.500000 0.692983 0.897666 S\n0.000000 0.472176 0.656425 S\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"S"
],
"chemical_system": "Cd-S-Sb",
"density": 4.508356328470696,
"density_atomic": 0.039435085616565564,
"volume": 481.8044566896702,
"volume_molar": 15.271022405160618,
"formula_full": "Cd2 Sb6 S11",
"formula_reduced": "Cd2Sb6S11",
"formula_anonymous": "A2B6C11",
"energy": -81.3915376,
"energy_per_atom": -4.2837651368421055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.8585376,
"band_gap": 0.3651999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.712000Z",
"spacegroup": 6
},
{
"id": "mp-1187584",
"created_at": "2022-09-04T14:48:25.572625Z",
"structure_string": "Tm2 Br2\n1.0\n1.814762 -3.143260 0.000000\n1.814762 3.143260 0.000000\n0.000000 0.000000 9.896988\nTm Br\n2 2\ndirect\n0.666667 0.333333 0.831338 Tm\n0.333333 0.666667 0.331338 Tm\n0.666667 0.333333 0.543662 Br\n0.333333 0.666667 0.043662 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Br"
],
"chemical_system": "Br-Tm",
"density": 7.319191996126452,
"density_atomic": 0.03542639570134427,
"volume": 112.91015980629999,
"volume_molar": 16.99902188969082,
"formula_full": "Tm2 Br2",
"formula_reduced": "TmBr",
"formula_anonymous": "AB",
"energy": -17.134539880000002,
"energy_per_atom": -4.2836349700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.06653988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:46.181000Z",
"spacegroup": 186
},
{
"id": "mp-975647",
"created_at": "2022-09-04T14:44:10.497174Z",
"structure_string": "Pr3 Ag1\n1.0\n-2.420648 2.420648 5.234151\n2.420648 -2.420648 5.234151\n2.420648 2.420648 -5.234151\nPr Ag\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Ag"
],
"chemical_system": "Ag-Pr",
"density": 7.181903723189216,
"density_atomic": 0.03260547045367038,
"volume": 122.67880034682103,
"volume_molar": 18.469725098912328,
"formula_full": "Pr3 Ag1",
"formula_reduced": "Pr3Ag",
"formula_anonymous": "AB3",
"energy": -17.13434992,
"energy_per_atom": -4.28358748,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.13434992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.537000Z",
"spacegroup": 139
},
{
"id": "mp-998883",
"created_at": "2022-09-04T14:46:38.095288Z",
"structure_string": "Ge1\n1.0\n-1.696005 1.696005 1.696005\n1.696005 -1.696005 1.696005\n1.696005 1.696005 -1.696005\nGe\n1\ndirect\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 6.181353159225227,
"density_atomic": 0.05124584089343222,
"volume": 19.5137787294688,
"volume_molar": 11.75147222683551,
"formula_full": "Ge1",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -4.28353805,
"energy_per_atom": -4.28353805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.28353805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.813000Z",
"spacegroup": 229
},
{
"id": "mp-1094006",
"created_at": "2022-09-04T14:44:03.279013Z",
"structure_string": "Zn1 Ga2 S4\n1.0\n12.493788 -1.863826 0.000000\n12.493788 1.863826 0.000000\n12.215742 0.000000 3.216245\nZn Ga S\n1 2 4\ndirect\n0.231007 0.231007 0.231007 Zn\n0.998732 0.998732 0.998732 Ga\n0.764900 0.764900 0.764900 Ga\n0.880061 0.880061 0.880061 S\n0.123996 0.123996 0.123996 S\n0.301135 0.301135 0.301135 S\n0.704169 0.704169 0.704169 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"S"
],
"chemical_system": "Ga-S-Zn",
"density": 3.6928755213667217,
"density_atomic": 0.04673254384990133,
"volume": 149.78855040468292,
"volume_molar": 12.886396211047938,
"formula_full": "Zn1 Ga2 S4",
"formula_reduced": "Zn(GaS2)2",
"formula_anonymous": "AB2C4",
"energy": -29.98430673,
"energy_per_atom": -4.28347239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.97230673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.42e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.934000Z",
"spacegroup": 160
},
{
"id": "mp-1111971",
"created_at": "2022-09-04T14:45:53.516087Z",
"structure_string": "Cs1 K2 Tl1 F6\n1.0\n0.000000 4.961233 4.961233\n4.961233 0.000000 4.961233\n4.961233 4.961233 0.000000\nCs K Tl F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.778929 0.221071 0.221071 F\n0.221071 0.221071 0.778929 F\n0.221071 0.778929 0.778929 F\n0.221071 0.778929 0.221071 F\n0.778929 0.221071 0.778929 F\n0.778929 0.778929 0.221071 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"K",
"Tl",
"F"
],
"chemical_system": "Cs-F-K-Tl",
"density": 3.5999487824671292,
"density_atomic": 0.040945024281772296,
"volume": 244.22991988434967,
"volume_molar": 14.707869553470767,
"formula_full": "Cs1 K2 Tl1 F6",
"formula_reduced": "CsK2TlF6",
"formula_anonymous": "ABC2D6",
"energy": -42.8346634,
"energy_per_atom": -4.2834663399999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.0626634,
"band_gap": 3.584,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070663,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.173000Z",
"spacegroup": 225
},
{
"id": "mp-1180804",
"created_at": "2022-09-04T14:41:52.477217Z",
"structure_string": "K1 Co1 Cu3 Se4\n1.0\n6.023989 0.000000 0.000000\n0.000000 6.023989 0.000000\n0.000000 0.000000 6.023989\nK Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.216243 0.216243 0.216243 Se\n0.783757 0.783757 0.216243 Se\n0.216243 0.783757 0.783757 Se\n0.783757 0.216243 0.783757 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"K",
"Co",
"Cu",
"Se"
],
"chemical_system": "Co-Cu-K-Se",
"density": 4.591977101029551,
"density_atomic": 0.0411708656963078,
"volume": 218.60118430317874,
"volume_molar": 14.627190024182722,
"formula_full": "K1 Co1 Cu3 Se4",
"formula_reduced": "KCoCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -38.55083589,
"energy_per_atom": -4.28342621,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.66283589,
"band_gap": 0.0399999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0006318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.812000Z",
"spacegroup": 215
},
{
"id": "mp-999473",
"created_at": "2022-09-04T14:48:31.230401Z",
"structure_string": "Zn1 N1\n1.0\n0.000000 2.156901 2.156901\n2.156901 0.000000 2.156901\n2.156901 2.156901 0.000000\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"N"
],
"chemical_system": "N-Zn",
"density": 6.571050951553,
"density_atomic": 0.09965735688298227,
"volume": 20.068764239336602,
"volume_molar": 6.042846156426968,
"formula_full": "Zn1 N1",
"formula_reduced": "ZnN",
"formula_anonymous": "AB",
"energy": -8.56674641,
"energy_per_atom": -4.283373205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.20574641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0218321,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:56.517000Z",
"spacegroup": 225
}
]
}