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=10192",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10190",
"results": [
{
"id": "mp-1219723",
"created_at": "2022-09-04T14:42:04.457530Z",
"structure_string": "Pr1 Th1 C1 N1\n1.0\n6.191090 -1.876115 0.000000\n6.191090 1.876115 0.000000\n5.622563 0.000000 3.199406\nPr Th C N\n1 1 1 1\ndirect\n0.749970 0.749970 0.749970 Pr\n0.249112 0.249112 0.249112 Th\n0.994649 0.994649 0.994649 C\n0.506270 0.506269 0.506269 N\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Pr",
"Th",
"C",
"N"
],
"chemical_system": "C-N-Pr-Th",
"density": 8.913656919005456,
"density_atomic": 0.05381880712845777,
"volume": 74.32346076442337,
"volume_molar": 11.189658562342368,
"formula_full": "Pr1 Th1 C1 N1",
"formula_reduced": "PrThCN",
"formula_anonymous": "ABCD",
"energy": -33.21520081,
"energy_per_atom": -8.3038002025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.85420081,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.688000Z",
"spacegroup": 160
},
{
"id": "mp-865316",
"created_at": "2022-09-04T14:41:49.903781Z",
"structure_string": "Gd2 Mg1 Tl1\n1.0\n0.000000 3.818373 3.818373\n3.818373 0.000000 3.818373\n3.818373 3.818373 0.000000\nGd Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Gd\n0.250000 0.250000 0.250000 Gd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Tl"
],
"chemical_system": "Gd-Mg-Tl",
"density": 8.100922126789618,
"density_atomic": 0.0359248484182628,
"volume": 111.34354565478291,
"volume_molar": 16.76316261626473,
"formula_full": "Gd2 Mg1 Tl1",
"formula_reduced": "Gd2MgTl",
"formula_anonymous": "ABC2",
"energy": -33.21511866,
"energy_per_atom": -8.303779665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.21511866,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9768851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.373000Z",
"spacegroup": 225
},
{
"id": "mp-754040",
"created_at": "2022-09-04T14:41:29.685463Z",
"structure_string": "Ce1 Sm1 O2\n1.0\n5.861280 -1.754120 0.000000\n5.861280 1.754120 0.000000\n5.336320 0.000000 2.992529\nCe Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sm\n0.247755 0.247755 0.247755 O\n0.752245 0.752245 0.752245 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Sm",
"O"
],
"chemical_system": "Ce-O-Sm",
"density": 8.702113576013097,
"density_atomic": 0.06500396667568194,
"volume": 61.53470633502747,
"volume_molar": 9.264266579369979,
"formula_full": "Ce1 Sm1 O2",
"formula_reduced": "CeSmO2",
"formula_anonymous": "ABC2",
"energy": -33.21089388,
"energy_per_atom": -8.30272347,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.83689388,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5775744,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.146000Z",
"spacegroup": 166
},
{
"id": "mp-1021272",
"created_at": "2022-09-04T14:43:15.333462Z",
"structure_string": "Li2 Mg12 Sb2\n1.0\n5.211705 0.000000 0.000000\n0.000000 6.230371 0.000000\n0.000000 0.000000 11.126655\nLi Mg Sb\n2 12 2\ndirect\n0.000000 0.000000 0.166864 Li\n0.000000 0.500000 0.666864 Li\n0.000000 0.249091 0.416409 Mg\n0.000000 0.750909 0.416409 Mg\n0.500000 0.754649 0.082838 Mg\n0.500000 0.245351 0.082838 Mg\n0.500000 0.000000 0.332675 Mg\n0.500000 0.500000 0.335581 Mg\n0.000000 0.749091 0.916409 Mg\n0.000000 0.250909 0.916409 Mg\n0.500000 0.254649 0.582838 Mg\n0.500000 0.745351 0.582838 Mg\n0.500000 0.500000 0.832675 Mg\n0.500000 0.000000 0.835581 Mg\n0.000000 0.500000 0.166381 Sb\n0.000000 0.000000 0.666381 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 2.523551251238844,
"density_atomic": 0.04428550759014105,
"volume": 361.29200884584554,
"volume_molar": 13.598445829580294,
"formula_full": "Li2 Mg12 Sb2",
"formula_reduced": "LiMg6Sb",
"formula_anonymous": "ABC6",
"energy": -33.21056959,
"energy_per_atom": -2.075660599375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.82656959,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.328000Z",
"spacegroup": 38
},
{
"id": "mp-11548",
"created_at": "2022-09-04T14:47:02.231733Z",
"structure_string": "Yb3 Tl3 Pd3\n1.0\n3.879489 -6.719471 0.000000\n3.879489 6.719471 0.000000\n0.000000 0.000000 3.992482\nYb Tl Pd\n3 3 3\ndirect\n0.399959 0.399959 0.500000 Yb\n0.000000 0.600041 0.500000 Yb\n0.600041 0.000000 0.500000 Yb\n0.000000 0.266734 0.000000 Tl\n0.266734 0.000000 0.000000 Tl\n0.733266 0.733266 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Pd"
],
"chemical_system": "Pd-Tl-Yb",
"density": 11.57957213527392,
"density_atomic": 0.04323743660186583,
"volume": 208.1529504829993,
"volume_molar": 13.928070749088132,
"formula_full": "Yb3 Tl3 Pd3",
"formula_reduced": "YbTlPd",
"formula_anonymous": "ABC",
"energy": -33.20982701,
"energy_per_atom": -3.6899807788888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.20982701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031295,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:48.790000Z",
"spacegroup": 189
},
{
"id": "mp-976080",
"created_at": "2022-09-04T14:40:55.973925Z",
"structure_string": "Ge6 B2\n1.0\n2.787109 -4.827414 0.000000\n2.787109 4.827414 0.000000\n0.000000 0.000000 4.810734\nGe B\n6 2\ndirect\n0.172039 0.344078 0.250000 Ge\n0.655922 0.827961 0.250000 Ge\n0.172039 0.827961 0.250000 Ge\n0.827961 0.655922 0.750000 Ge\n0.344078 0.172039 0.750000 Ge\n0.827961 0.172039 0.750000 Ge\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"B"
],
"chemical_system": "B-Ge",
"density": 5.868056445785027,
"density_atomic": 0.06179881505586018,
"volume": 129.45232028751312,
"volume_molar": 9.744751181000096,
"formula_full": "Ge6 B2",
"formula_reduced": "Ge3B",
"formula_anonymous": "AB3",
"energy": -33.20837575,
"energy_per_atom": -4.15104696875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.20837575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.608000Z",
"spacegroup": 194
},
{
"id": "mp-1183397",
"created_at": "2022-09-04T14:40:21.789467Z",
"structure_string": "Co1 B1 O3\n1.0\n3.354742 0.000000 0.000000\n0.000000 3.354742 0.000000\n0.000000 0.000000 3.354742\nCo B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"B",
"O"
],
"chemical_system": "B-Co-O",
"density": 5.178507210504986,
"density_atomic": 0.13243190508870273,
"volume": 37.75525238159948,
"volume_molar": 4.547348885426347,
"formula_full": "Co1 B1 O3",
"formula_reduced": "CoBO3",
"formula_anonymous": "ABC3",
"energy": -33.20818014,
"energy_per_atom": -6.641636028000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.50918014,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7646886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.313000Z",
"spacegroup": 221
},
{
"id": "mp-28929",
"created_at": "2022-09-04T14:45:08.853107Z",
"structure_string": "Dy2 S2 I2\n1.0\n4.195409 0.000000 0.000000\n0.000000 5.348445 0.000000\n0.000000 0.000000 10.666825\nDy S I\n2 2 2\ndirect\n0.000000 0.000000 0.107294 Dy\n0.500000 0.500000 0.892706 Dy\n0.500000 0.000000 0.941856 S\n0.000000 0.500000 0.058144 S\n0.000000 0.500000 0.684130 I\n0.500000 0.000000 0.315870 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Dy",
"S",
"I"
],
"chemical_system": "Dy-I-S",
"density": 4.460482271297928,
"density_atomic": 0.025067685685228627,
"volume": 239.35197191081573,
"volume_molar": 24.023521100508308,
"formula_full": "Dy2 S2 I2",
"formula_reduced": "DySI",
"formula_anonymous": "ABC",
"energy": -33.206549620000004,
"energy_per_atom": -5.534424936666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.44254962,
"band_gap": 2.7811,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.00255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.967000Z",
"spacegroup": 59
},
{
"id": "mp-1399099",
"created_at": "2022-09-04T14:46:15.744630Z",
"structure_string": "Zn1 Fe2 N2\n1.0\n3.531236 0.000000 0.000000\n0.000000 3.531236 0.000000\n0.000000 0.000000 4.911448\nZn Fe N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.735762 Fe\n0.500000 0.500000 0.264238 Fe\n0.500000 0.000000 0.261388 N\n0.000000 0.500000 0.738612 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"N"
],
"chemical_system": "Fe-N-Zn",
"density": 5.561321171707744,
"density_atomic": 0.08164074653498755,
"volume": 61.24392796747914,
"volume_molar": 7.3763910983092025,
"formula_full": "Zn1 Fe2 N2",
"formula_reduced": "Zn(FeN)2",
"formula_anonymous": "AB2C2",
"energy": -33.20541332,
"energy_per_atom": -6.641082664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.48341332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2208418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:26.881000Z",
"spacegroup": 115
},
{
"id": "mp-1218362",
"created_at": "2022-09-04T14:48:13.959114Z",
"structure_string": "Sr1 Ca3 Si4\n1.0\n3.950932 0.000000 0.000000\n0.000000 4.612522 0.000000\n0.000000 0.000000 10.866240\nSr Ca Si\n1 3 4\ndirect\n0.000000 0.500000 0.140865 Sr\n0.000000 0.000000 0.638505 Ca\n0.500000 0.000000 0.366794 Ca\n0.500000 0.500000 0.859695 Ca\n0.000000 0.500000 0.436324 Si\n0.000000 0.000000 0.926916 Si\n0.500000 0.000000 0.060459 Si\n0.500000 0.500000 0.570442 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Si"
],
"chemical_system": "Ca-Si-Sr",
"density": 2.685021088926068,
"density_atomic": 0.0403991928610454,
"volume": 198.02375823488137,
"volume_molar": 14.90658682393331,
"formula_full": "Sr1 Ca3 Si4",
"formula_reduced": "SrCa3Si4",
"formula_anonymous": "AB3C4",
"energy": -33.20405154,
"energy_per_atom": -4.1505064425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.48805154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:42.393000Z",
"spacegroup": 25
},
{
"id": "mp-1112414",
"created_at": "2022-09-04T14:45:28.469254Z",
"structure_string": "K2 Tl1 Au1 Cl6\n1.0\n0.000000 5.321118 5.321118\n5.321118 0.000000 5.321118\n5.321118 5.321118 0.000000\nK Tl Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Au\n0.744460 0.255540 0.255540 Cl\n0.255540 0.255540 0.744460 Cl\n0.255540 0.744460 0.744460 Cl\n0.255540 0.744460 0.255540 Cl\n0.744460 0.255540 0.744460 Cl\n0.744460 0.744460 0.255540 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Tl",
"density": 3.8148939885727606,
"density_atomic": 0.033186491031077694,
"volume": 301.32742839956893,
"volume_molar": 18.146361886710256,
"formula_full": "K2 Tl1 Au1 Cl6",
"formula_reduced": "K2TlAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.20379665,
"energy_per_atom": -3.320379665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.51979665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005925,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.035000Z",
"spacegroup": 225
},
{
"id": "mp-4920",
"created_at": "2022-09-04T14:48:26.505112Z",
"structure_string": "Nd1 Ge2 Rh2\n1.0\n-2.092645 2.092645 5.283820\n2.092645 -2.092645 5.283820\n2.092645 2.092645 -5.283820\nNd Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.624126 0.624126 0.000000 Ge\n0.375874 0.375874 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Rh"
],
"chemical_system": "Ge-Nd-Rh",
"density": 8.886837397926517,
"density_atomic": 0.05402202734326223,
"volume": 92.55483820015527,
"volume_molar": 11.147565273207203,
"formula_full": "Nd1 Ge2 Rh2",
"formula_reduced": "Nd(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -33.20304138,
"energy_per_atom": -6.640608276,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.20304138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:46.104000Z",
"spacegroup": 139
}
]
}