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=structure_string&page=12097",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=12095",
"results": [
{
"id": "mp-1096366",
"created_at": "2022-09-04T14:47:19.895275Z",
"structure_string": "Zr2 Be1 Tc1\n1.0\n-4.969719 5.513148 8.205186\n4.969719 -5.513148 8.205186\n4.969719 5.513148 -8.205186\nZr Be Tc\n2 1 1\ndirect\n0.000000 0.273303 0.273303 Zr\n0.000000 0.726697 0.726697 Zr\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Tc"
],
"chemical_system": "Be-Tc-Zr",
"density": 0.5345126920575889,
"density_atomic": 0.004448156770232006,
"volume": 899.2488814173178,
"volume_molar": 135.3850835541909,
"formula_full": "Zr2 Be1 Tc1",
"formula_reduced": "Zr2BeTc",
"formula_anonymous": "ABC2",
"energy": -17.57063152,
"energy_per_atom": -4.39265788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.57063152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3005228,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.543000Z",
"spacegroup": 71
},
{
"id": "mp-30445",
"created_at": "2022-09-04T14:44:17.124129Z",
"structure_string": "Zr2 Be26\n1.0\n0.000000 4.997859 4.997859\n4.997859 0.000000 4.997859\n4.997859 4.997859 0.000000\nZr Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Zr\n0.750000 0.750000 0.750000 Zr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.206988 0.793012 0.561922 Be\n0.061922 0.293012 0.706988 Be\n0.706988 0.938078 0.061922 Be\n0.061922 0.938078 0.293012 Be\n0.938078 0.061922 0.706988 Be\n0.938078 0.293012 0.061922 Be\n0.706988 0.061922 0.293012 Be\n0.561922 0.793012 0.438078 Be\n0.438078 0.793012 0.206988 Be\n0.793012 0.438078 0.561922 Be\n0.438078 0.206988 0.561922 Be\n0.793012 0.561922 0.206988 Be\n0.561922 0.206988 0.793012 Be\n0.206988 0.438078 0.793012 Be\n0.206988 0.561922 0.438078 Be\n0.706988 0.293012 0.938078 Be\n0.293012 0.061922 0.938078 Be\n0.293012 0.938078 0.706988 Be\n0.061922 0.706988 0.938078 Be\n0.938078 0.706988 0.293012 Be\n0.293012 0.706988 0.061922 Be\n0.561922 0.438078 0.206988 Be\n0.793012 0.206988 0.438078 Be\n0.438078 0.561922 0.793012 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Zr",
"Be"
],
"chemical_system": "Be-Zr",
"density": 2.7717755747305075,
"density_atomic": 0.11214399850271202,
"volume": 249.67898749680185,
"volume_molar": 5.37000716971436,
"formula_full": "Zr2 Be26",
"formula_reduced": "ZrBe13",
"formula_anonymous": "AB13",
"energy": -119.86603832,
"energy_per_atom": -4.28092994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.86603832,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012456,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.602000Z",
"spacegroup": 226
},
{
"id": "mp-10200",
"created_at": "2022-09-04T14:48:12.850168Z",
"structure_string": "Zr2 Be2 Si2\n1.0\n1.872260 -3.242849 0.000000\n1.872260 3.242849 0.000000\n0.000000 0.000000 7.254626\nZr Be Si\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.750000 Be\n0.333333 0.666667 0.250000 Be\n0.666667 0.333333 0.250000 Si\n0.333333 0.666667 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Be",
"Si"
],
"chemical_system": "Be-Si-Zr",
"density": 4.8377255586841414,
"density_atomic": 0.06811038593473262,
"volume": 88.09229191197879,
"volume_molar": 8.841736362749097,
"formula_full": "Zr2 Be2 Si2",
"formula_reduced": "ZrBeSi",
"formula_anonymous": "ABC",
"energy": -39.76000568,
"energy_per_atom": -6.626667613333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.90200568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:41.279000Z",
"spacegroup": 194
},
{
"id": "mp-754588",
"created_at": "2022-09-04T14:45:01.610367Z",
"structure_string": "Zr2 Bi2 O8\n1.0\n-2.663104 2.663104 5.417682\n2.663104 -2.663104 5.417682\n2.663104 2.663104 -5.417682\nZr Bi O\n2 2 8\ndirect\n0.750000 0.250000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.615903 0.586822 0.494198 O\n0.092625 0.121705 0.505802 O\n0.878295 0.384097 0.970920 O\n0.413178 0.907375 0.029080 O\n0.336822 0.342625 0.470920 O\n0.871705 0.865903 0.529080 O\n0.657375 0.128295 0.994198 O\n0.134097 0.663178 0.005802 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zr",
"density": 7.8699444074092195,
"density_atomic": 0.07807850535335573,
"volume": 153.69146662954472,
"volume_molar": 7.712930380449676,
"formula_full": "Zr2 Bi2 O8",
"formula_reduced": "ZrBiO4",
"formula_anonymous": "ABC4",
"energy": -95.15668368,
"energy_per_atom": -7.92972364,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.66068368,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.924000Z",
"spacegroup": 88
},
{
"id": "mp-1066783",
"created_at": "2022-09-04T14:42:42.643012Z",
"structure_string": "Zr2 Br2\n1.0\n1.725669 -2.988946 0.000000\n1.725669 2.988946 0.000000\n0.000000 0.000000 10.036408\nZr Br\n2 2\ndirect\n0.666667 0.333333 0.623224 Zr\n0.333333 0.666667 0.376776 Zr\n0.666667 0.333333 0.182488 Br\n0.333333 0.666667 0.817512 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.48929154990673,
"density_atomic": 0.03863457341597025,
"volume": 103.53420903429809,
"volume_molar": 15.58743950699517,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.18883699,
"energy_per_atom": -6.2972092475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.12083699,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002234,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.777000Z",
"spacegroup": 164
},
{
"id": "mp-1065846",
"created_at": "2022-09-04T14:40:21.135612Z",
"structure_string": "Zr2 Br2\n1.0\n1.774475 3.049985 0.000000\n-1.774475 3.049985 0.000000\n0.000000 2.694846 9.747833\nZr Br\n2 2\ndirect\n0.279555 0.279555 0.620513 Zr\n0.720445 0.720445 0.379487 Zr\n0.858452 0.858452 0.816416 Br\n0.141548 0.141548 0.183584 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.386349173186648,
"density_atomic": 0.03791004735011135,
"volume": 105.51292545373862,
"volume_molar": 15.885342227045022,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.453058950000003,
"energy_per_atom": -6.363264737500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.38505895,
"band_gap": 0.0065999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.01e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.077000Z",
"spacegroup": 12
},
{
"id": "mp-504594",
"created_at": "2022-09-04T14:48:11.073520Z",
"structure_string": "Zr2 Br2\n1.0\n9.734752 -1.767386 0.000000\n9.734752 1.767386 0.000000\n9.413875 0.000000 3.044339\nZr Br\n2 2\ndirect\n0.207372 0.207372 0.207372 Zr\n0.792628 0.792628 0.792628 Zr\n0.393836 0.393836 0.393836 Br\n0.606164 0.606164 0.606164 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 5.425263775225613,
"density_atomic": 0.03818393497946366,
"volume": 104.75609709034197,
"volume_molar": 15.771399053656644,
"formula_full": "Zr2 Br2",
"formula_reduced": "ZrBr",
"formula_anonymous": "AB",
"energy": -25.45315806,
"energy_per_atom": -6.363289515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.38515806,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006635,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.473000Z",
"spacegroup": 166
},
{
"id": "mp-541912",
"created_at": "2022-09-04T14:41:12.415057Z",
"structure_string": "Zr2 Br2 N2\n1.0\n10.253836 -1.844568 0.000000\n10.253836 1.844568 0.000000\n9.922016 0.000000 3.177607\nZr Br N\n2 2 2\ndirect\n0.875928 0.875928 0.875928 Zr\n0.124072 0.124072 0.124072 Zr\n0.607684 0.607684 0.607684 Br\n0.392316 0.392316 0.392316 Br\n0.804865 0.804865 0.804865 N\n0.195135 0.195135 0.195135 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 5.115118548722554,
"density_atomic": 0.049916029650529055,
"volume": 120.20186785702029,
"volume_molar": 12.064542797498262,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy": -48.46095152000001,
"energy_per_atom": -8.076825253333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.67095152,
"band_gap": 2.3532,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001832,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.733000Z",
"spacegroup": 166
},
{
"id": "mp-1172825",
"created_at": "2022-09-04T14:39:07.664153Z",
"structure_string": "Zr2 Br2 N2\n1.0\n1.748235 -3.028032 0.000000\n1.748235 3.028032 0.000000\n0.000000 0.000000 13.873535\nZr Br N\n2 2 2\ndirect\n0.000000 0.000000 0.836203 Zr\n0.000000 0.000000 0.163797 Zr\n0.666667 0.333333 0.310589 Br\n0.333333 0.666667 0.689411 Br\n0.666667 0.333333 0.879084 N\n0.333333 0.666667 0.120916 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 4.185906457375889,
"density_atomic": 0.04084828706323872,
"volume": 146.8849842029161,
"volume_molar": 14.742700840005616,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy": -46.92258034,
"energy_per_atom": -7.820430056666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.13258034,
"band_gap": 2.784,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.514000Z",
"spacegroup": 164
},
{
"id": "mp-570157",
"created_at": "2022-09-04T14:48:02.945205Z",
"structure_string": "Zr2 Br2 N2\n1.0\n3.639016 0.000000 0.000000\n0.000000 4.171676 0.000000\n0.000000 0.000000 9.003880\nZr Br N\n2 2 2\ndirect\n0.000000 0.500000 0.098365 Zr\n0.500000 0.000000 0.901635 Zr\n0.000000 0.000000 0.667542 Br\n0.500000 0.500000 0.332458 Br\n0.000000 0.000000 0.032045 N\n0.500000 0.500000 0.967955 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 4.498240646416016,
"density_atomic": 0.04389620911870984,
"volume": 136.68606288470195,
"volume_molar": 13.719045177031449,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy": -48.37501406,
"energy_per_atom": -8.062502343333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.58501406,
"band_gap": 1.7035,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.37e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.511000Z",
"spacegroup": 59
},
{
"id": "mp-754503",
"created_at": "2022-09-04T14:42:55.166343Z",
"structure_string": "Zr2 Br2 O2\n1.0\n9.703327 -1.877467 0.000000\n9.703327 1.877467 0.000000\n9.340061 0.000000 3.231514\nZr Br O\n2 2 2\ndirect\n0.123598 0.123598 0.123598 Zr\n0.876403 0.876403 0.876403 Zr\n0.390870 0.390870 0.390870 Br\n0.609130 0.609130 0.609130 Br\n0.199464 0.199464 0.199464 O\n0.800536 0.800536 0.800536 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"O"
],
"chemical_system": "Br-O-Zr",
"density": 5.278219655935572,
"density_atomic": 0.05095915682240133,
"volume": 117.7413515869328,
"volume_molar": 11.817583208819311,
"formula_full": "Zr2 Br2 O2",
"formula_reduced": "ZrBrO",
"formula_anonymous": "ABC",
"energy": -45.9426116,
"energy_per_atom": -7.657101933333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.5006116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.002000Z",
"spacegroup": 166
},
{
"id": "mp-23247",
"created_at": "2022-09-04T14:47:26.852307Z",
"structure_string": "Zr2 Br6\n1.0\n3.747317 -6.490544 0.000000\n3.747317 6.490544 0.000000\n0.000000 0.000000 6.284645\nZr Br\n2 6\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.703933 0.000000 0.750000 Br\n0.703933 0.703933 0.250000 Br\n0.296067 0.000000 0.250000 Br\n0.296067 0.296067 0.750000 Br\n0.000000 0.703933 0.750000 Br\n0.000000 0.296067 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Br"
],
"chemical_system": "Br-Zr",
"density": 3.5950987852448435,
"density_atomic": 0.026168432492483504,
"volume": 305.71185348216335,
"volume_molar": 23.01299767087605,
"formula_full": "Zr2 Br6",
"formula_reduced": "ZrBr3",
"formula_anonymous": "AB3",
"energy": -41.31011896,
"energy_per_atom": -5.16376487,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.10611896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0177766,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:10.625000Z",
"spacegroup": 193
}
]
}