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=-id&page=12124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=12122",
"results": [
{
"id": "mp-1014219",
"created_at": "2022-09-04T14:39:30.230839Z",
"structure_string": "Hf1 Zn1\n1.0\n3.303560 0.000000 0.000000\n0.000000 3.303560 0.000000\n0.000000 0.000000 3.303560\nHf Zn\n1 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Zn"
],
"chemical_system": "Hf-Zn",
"density": 11.23343353979691,
"density_atomic": 0.05547322294731853,
"volume": 36.05343071375802,
"volume_molar": 10.855941731957902,
"formula_full": "Hf1 Zn1",
"formula_reduced": "HfZn",
"formula_anonymous": "AB",
"energy": -11.61533778,
"energy_per_atom": -5.80766889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.61533778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38Z",
"spacegroup": 221
},
{
"id": "mp-1014214",
"created_at": "2022-09-04T14:45:23.703621Z",
"structure_string": "C3 N1\n1.0\n3.318288 0.000000 0.000000\n0.000000 3.318288 0.000000\n0.000000 0.000000 3.318288\nC N\n3 1\ndirect\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 2.274121971310003,
"density_atomic": 0.10947570782169236,
"volume": 36.53778614078446,
"volume_molar": 5.50089227996453,
"formula_full": "C3 N1",
"formula_reduced": "C3N",
"formula_anonymous": "AB3",
"energy": -18.55489281,
"energy_per_atom": -4.6387232025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.19389281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003677,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.772000Z",
"spacegroup": 221
},
{
"id": "mp-1014212",
"created_at": "2022-09-04T14:40:19.364987Z",
"structure_string": "Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.156332160571929,
"density_atomic": 0.06767861196292675,
"volume": 14.775716744128614,
"volume_molar": 8.898144606303141,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.89982253,
"energy_per_atom": -4.89982253,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.89982253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.452000Z",
"spacegroup": 229
},
{
"id": "mp-1014204",
"created_at": "2022-09-04T14:42:24.778194Z",
"structure_string": "Sn10 S8 Cl4\n1.0\n5.886050 0.000000 0.000000\n0.000000 5.978810 0.000000\n0.000000 0.000000 18.036104\nSn S Cl\n10 8 4\ndirect\n0.257229 0.332589 0.574710 Sn\n0.742771 0.332589 0.425290 Sn\n0.742771 0.332589 0.074710 Sn\n0.257229 0.332589 0.925290 Sn\n0.248809 0.868382 0.424392 Sn\n0.751191 0.868382 0.575608 Sn\n0.751191 0.868382 0.924392 Sn\n0.248809 0.868382 0.075608 Sn\n0.743657 0.363761 0.750000 Sn\n0.256343 0.363761 0.250000 Sn\n0.249887 0.887274 0.570931 S\n0.750113 0.887274 0.429069 S\n0.750113 0.887274 0.070931 S\n0.249887 0.887274 0.929069 S\n0.260311 0.343141 0.419685 S\n0.739689 0.343141 0.580315 S\n0.739689 0.343141 0.919685 S\n0.260311 0.343141 0.080315 S\n0.763237 0.940707 0.750000 Cl\n0.236763 0.940707 0.250000 Cl\n0.298370 0.359349 0.750000 Cl\n0.701630 0.359349 0.250000 Cl\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sn",
"S",
"Cl"
],
"chemical_system": "Cl-S-Sn",
"density": 4.147775930179823,
"density_atomic": 0.03466101296205242,
"volume": 634.7188994183766,
"volume_molar": 17.374393433317028,
"formula_full": "Sn10 S8 Cl4",
"formula_reduced": "Sn5(S2Cl)2",
"formula_anonymous": "A2B4C5",
"energy": -99.16950753,
"energy_per_atom": -4.5077048877272725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.68950753,
"band_gap": 0.5160999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008805,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.780000Z",
"spacegroup": 28
},
{
"id": "mp-10142",
"created_at": "2022-09-04T14:48:07.099490Z",
"structure_string": "Ta3 B4\n1.0\n-1.572998 1.655081 7.034996\n1.572998 -1.655081 7.034996\n1.572998 1.655081 -7.034996\nTa B\n3 4\ndirect\n0.000000 0.500000 0.500000 Ta\n0.185262 0.185262 0.000000 Ta\n0.814738 0.814738 0.000000 Ta\n0.366523 0.366523 0.000000 B\n0.633477 0.633477 0.000000 B\n0.435759 0.935759 0.500000 B\n0.564241 0.064241 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 13.28435247984026,
"density_atomic": 0.09554913732132216,
"volume": 73.26073469883566,
"volume_molar": 6.3026636648200665,
"formula_full": "Ta3 B4",
"formula_reduced": "Ta3B4",
"formula_anonymous": "A3B4",
"energy": -67.70295838,
"energy_per_atom": -9.671851197142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70295838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.244000Z",
"spacegroup": 71
},
{
"id": "mp-1014168",
"created_at": "2022-09-04T14:45:41.250883Z",
"structure_string": "Cs2 Pb2 Br6\n1.0\n-4.223557 4.223557 5.990673\n4.223557 -4.223557 5.990673\n4.223557 4.223557 -5.990673\nCs Pb Br\n2 2 6\ndirect\n0.750000 0.250000 0.500000 Cs\n0.250000 0.750000 0.500000 Cs\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 Pb\n0.250000 0.250000 0.000000 Br\n0.750000 0.750000 0.000000 Br\n0.719231 0.219231 0.938463 Br\n0.280769 0.780769 0.061537 Br\n0.219231 0.280769 0.500000 Br\n0.780769 0.719231 0.500000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Pb",
"Br"
],
"chemical_system": "Br-Cs-Pb",
"density": 4.504826313455007,
"density_atomic": 0.02339417180308663,
"volume": 427.4568932882932,
"volume_molar": 25.742055802144012,
"formula_full": "Cs2 Pb2 Br6",
"formula_reduced": "CsPbBr3",
"formula_anonymous": "ABC3",
"energy": -35.31680547,
"energy_per_atom": -3.5316805469999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.11280547,
"band_gap": 1.8178,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.080000Z",
"spacegroup": 140
},
{
"id": "mp-1014160",
"created_at": "2022-09-04T14:43:50.752745Z",
"structure_string": "Zr2 N2\n1.0\n1.604511 -2.779094 0.000000\n1.604511 2.779094 0.000000\n0.000000 0.000000 5.516919\nZr N\n2 2\ndirect\n0.666667 0.333333 0.745270 Zr\n0.333333 0.666667 0.254730 Zr\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"N"
],
"chemical_system": "N-Zr",
"density": 7.10311774399867,
"density_atomic": 0.0812994209940561,
"volume": 49.20084240566049,
"volume_molar": 7.407359961936612,
"formula_full": "Zr2 N2",
"formula_reduced": "ZrN",
"formula_anonymous": "AB",
"energy": -41.01237305,
"energy_per_atom": -10.2530932625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.29037305,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.111000Z",
"spacegroup": 164
},
{
"id": "mp-1014138",
"created_at": "2022-09-04T14:41:24.493716Z",
"structure_string": "Zr2 B2\n1.0\n1.806237 -3.128494 0.000000\n1.806237 3.128494 0.000000\n0.000000 0.000000 5.240557\nZr B\n2 2\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.000000 0.000000 0.232647 B\n0.000000 0.000000 0.767353 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"B"
],
"chemical_system": "B-Zr",
"density": 5.72151125337928,
"density_atomic": 0.06753711204916199,
"volume": 59.22669593997886,
"volume_molar": 8.916787492506831,
"formula_full": "Zr2 B2",
"formula_reduced": "ZrB",
"formula_anonymous": "AB",
"energy": -32.09195565,
"energy_per_atom": -8.0229889125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.09195565,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.740000Z",
"spacegroup": 187
},
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"id": "mp-10141",
"created_at": "2022-09-04T14:39:16.874104Z",
"structure_string": "Sm1 B2\n1.0\n1.667072 -2.887454 0.000000\n1.667072 2.887454 0.000000\n0.000000 0.000000 4.030790\nSm B\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sm",
"B"
],
"chemical_system": "B-Sm",
"density": 7.359401433589032,
"density_atomic": 0.07730928473514918,
"volume": 38.805170818454485,
"volume_molar": 7.7896733628192445,
"formula_full": "Sm1 B2",
"formula_reduced": "SmB2",
"formula_anonymous": "AB2",
"energy": -19.2472011,
"energy_per_atom": -6.4157337000000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.2472011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013874,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.151000Z",
"spacegroup": 191
},
{
"id": "mp-1014013",
"created_at": "2022-09-04T14:42:51.577922Z",
"structure_string": "P4\n1.0\n3.299918 0.000000 0.000000\n0.000000 4.600926 0.000000\n0.000000 0.000000 35.235589\nP\n4\ndirect\n0.000000 0.588557 0.970112 P\n0.000000 0.411443 0.029888 P\n0.500000 0.088557 0.029888 P\n0.500000 0.911443 0.970112 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3845679734918437,
"density_atomic": 0.007477046117149621,
"volume": 534.9706203931867,
"volume_molar": 80.54170946180741,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -21.47303725,
"energy_per_atom": -5.3682593125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47303725,
"band_gap": 0.8832,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.369000Z",
"spacegroup": 53
},
{
"id": "mp-1014005",
"created_at": "2022-09-04T14:39:26.102757Z",
"structure_string": "Mn2 Si1 Rh1\n1.0\n0.000000 2.997343 2.997343\n2.997343 0.000000 2.997343\n2.997343 2.997343 0.000000\nMn Si Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Rh"
],
"chemical_system": "Mn-Rh-Si",
"density": 7.426552152078045,
"density_atomic": 0.07427123802882409,
"volume": 53.85664903616702,
"volume_molar": 8.108308033942905,
"formula_full": "Mn2 Si1 Rh1",
"formula_reduced": "Mn2SiRh",
"formula_anonymous": "ABC2",
"energy": -31.57013284,
"energy_per_atom": -7.89253321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.57013284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2410637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.059000Z",
"spacegroup": 225
}
]
}