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=nsites&page=85",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nsites&page=83",
"results": [
{
"id": "mp-1002219",
"created_at": "2022-09-04T14:47:00.340447Z",
"structure_string": "Tl1 Sb1\n1.0\n0.000000 3.396000 3.396000\n3.396000 0.000000 3.396000\n3.396000 3.396000 0.000000\nTl Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Sb"
],
"chemical_system": "Sb-Tl",
"density": 6.913922677693916,
"density_atomic": 0.025532712512087538,
"volume": 78.33088627199999,
"volume_molar": 23.58598114927678,
"formula_full": "Tl1 Sb1",
"formula_reduced": "TlSb",
"formula_anonymous": "AB",
"energy": -6.42647048,
"energy_per_atom": -3.21323524,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.23447048,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001679,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.051000Z",
"spacegroup": 216
},
{
"id": "mp-11344",
"created_at": "2022-09-04T14:46:53.552157Z",
"structure_string": "Pr1 O1\n1.0\n0.000000 2.551148 2.551148\n2.551148 0.000000 2.551148\n2.551148 2.551148 0.000000\nPr O\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"O"
],
"chemical_system": "O-Pr",
"density": 7.846113690977709,
"density_atomic": 0.060227250569505494,
"volume": 33.20755938695711,
"volume_molar": 9.99902984621575,
"formula_full": "Pr1 O1",
"formula_reduced": "PrO",
"formula_anonymous": "AB",
"energy": -15.82146065,
"energy_per_atom": -7.910730325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.13446065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00063,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:44.018000Z",
"spacegroup": 225
},
{
"id": "mp-571386",
"created_at": "2022-09-04T14:47:02.298162Z",
"structure_string": "Cu1 Cl1\n1.0\n0.000000 2.555898 2.555898\n2.555898 0.000000 2.555898\n2.555898 2.555898 0.000000\nCu Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 4.922881196929805,
"density_atomic": 0.059892086835046196,
"volume": 33.39339311232162,
"volume_molar": 10.054985688820762,
"formula_full": "Cu1 Cl1",
"formula_reduced": "CuCl",
"formula_anonymous": "AB",
"energy": -6.96681255,
"energy_per_atom": -3.483406275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.35281255,
"band_gap": 0.3260999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.175000Z",
"spacegroup": 225
},
{
"id": "mp-1058159",
"created_at": "2022-09-04T14:47:02.270800Z",
"structure_string": "Na1 S1\n1.0\n3.400517 0.000000 0.000000\n0.000000 3.400517 0.000000\n0.000000 0.000000 3.400517\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"S"
],
"chemical_system": "Na-S",
"density": 2.3249263165917364,
"density_atomic": 0.05086220039820761,
"volume": 39.32193228648598,
"volume_molar": 11.840110559220362,
"formula_full": "Na1 S1",
"formula_reduced": "NaS",
"formula_anonymous": "AB",
"energy": -6.86522834,
"energy_per_atom": -3.43261417,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.36222834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100287,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.924000Z",
"spacegroup": 221
},
{
"id": "mp-1060281",
"created_at": "2022-09-04T14:46:38.475667Z",
"structure_string": "B1 N1\n1.0\n-2.390410 2.390410 1.309911\n2.390410 -2.390410 1.309911\n2.390410 2.390410 -1.309911\nB N\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"B",
"N"
],
"chemical_system": "B-N",
"density": 1.3764614522857495,
"density_atomic": 0.066801070359005,
"volume": 29.93964002749536,
"volume_molar": 9.015036327465365,
"formula_full": "B1 N1",
"formula_reduced": "BN",
"formula_anonymous": "AB",
"energy": -16.32749539,
"energy_per_atom": -8.163747695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.96649539,
"band_gap": 3.5086,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.713000Z",
"spacegroup": 139
},
{
"id": "mp-542569",
"created_at": "2022-09-04T14:47:00.573178Z",
"structure_string": "Al1 Ru1\n1.0\n3.005457 0.000000 0.000000\n0.000000 3.005457 0.000000\n0.000000 0.000000 3.005457\nAl Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 7.832534964691828,
"density_atomic": 0.07367131796618068,
"volume": 27.14760717214417,
"volume_molar": 8.174335584391887,
"formula_full": "Al1 Ru1",
"formula_reduced": "AlRu",
"formula_anonymous": "AB",
"energy": -14.36692027,
"energy_per_atom": -7.183460135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.36692027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.384000Z",
"spacegroup": 221
},
{
"id": "mp-23268",
"created_at": "2022-09-04T14:46:38.478227Z",
"structure_string": "Na1 I1\n1.0\n0.000000 3.265998 3.265998\n3.265998 0.000000 3.265998\n3.265998 3.265998 0.000000\nNa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"I"
],
"chemical_system": "I-Na",
"density": 3.5723689080929475,
"density_atomic": 0.028704650054537807,
"volume": 69.6751221910064,
"volume_molar": 20.979669665222005,
"formula_full": "Na1 I1",
"formula_reduced": "NaI",
"formula_anonymous": "AB",
"energy": -5.76581822,
"energy_per_atom": -2.88290911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.38681822,
"band_gap": 3.5687,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.903000Z",
"spacegroup": 225
},
{
"id": "mp-1009539",
"created_at": "2022-09-04T14:46:54.460182Z",
"structure_string": "Os1 C1\n1.0\n0.000000 2.181057 2.181057\n2.181057 0.000000 2.181057\n2.181057 2.181057 0.000000\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.184027760334338,
"density_atomic": 0.09638267002651976,
"volume": 20.750618336778786,
"volume_molar": 6.248157224055946,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy": -17.67239559,
"energy_per_atom": -8.836197795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.67239559,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.388000Z",
"spacegroup": 225
},
{
"id": "mp-1009264",
"created_at": "2022-09-04T14:46:28.232834Z",
"structure_string": "Nb1 Co1\n1.0\n3.082030 0.000000 0.000000\n0.000000 3.082030 0.000000\n0.000000 0.000000 3.082030\nNb Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Co\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nb",
"Co"
],
"chemical_system": "Co-Nb",
"density": 8.612386106625836,
"density_atomic": 0.06831552502895584,
"volume": 29.275922261481426,
"volume_molar": 8.815186236872934,
"formula_full": "Nb1 Co1",
"formula_reduced": "NbCo",
"formula_anonymous": "AB",
"energy": -17.28481185,
"energy_per_atom": -8.642405925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.28481185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7583665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.906000Z",
"spacegroup": 221
},
{
"id": "mp-1018155",
"created_at": "2022-09-04T14:46:54.214412Z",
"structure_string": "Mn1 Sn1\n1.0\n0.000000 3.069300 3.069300\n3.069300 0.000000 3.069300\n3.069300 3.069300 0.000000\nMn Sn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn",
"density": 4.986214781773823,
"density_atomic": 0.034584538266251796,
"volume": 57.829310445114004,
"volume_molar": 17.41281237771074,
"formula_full": "Mn1 Sn1",
"formula_reduced": "MnSn",
"formula_anonymous": "AB",
"energy": -11.53835518,
"energy_per_atom": -5.76917759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.53835518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9996855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:44.898000Z",
"spacegroup": 216
},
{
"id": "mp-11274",
"created_at": "2022-09-04T14:46:54.641381Z",
"structure_string": "Be1 Pd1\n1.0\n2.832204 0.000000 0.000000\n0.000000 2.832204 0.000000\n0.000000 0.000000 2.832204\nBe Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"Pd"
],
"chemical_system": "Be-Pd",
"density": 8.437278937378421,
"density_atomic": 0.08803520912363087,
"volume": 22.718183098666024,
"volume_molar": 6.840604821580988,
"formula_full": "Be1 Pd1",
"formula_reduced": "BePd",
"formula_anonymous": "AB",
"energy": -10.10471632,
"energy_per_atom": -5.05235816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.10471632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.258000Z",
"spacegroup": 221
},
{
"id": "mp-1187259",
"created_at": "2022-09-04T14:46:37.998216Z",
"structure_string": "Sr1 Eu1\n1.0\n2.053399 -3.556591 0.000000\n2.053399 3.556591 0.000000\n0.000000 0.000000 6.798141\nSr Eu\n1 1\ndirect\n0.333333 0.666667 0.000000 Sr\n0.666667 0.333333 0.500000 Eu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sr",
"Eu"
],
"chemical_system": "Eu-Sr",
"density": 4.00663217126175,
"density_atomic": 0.02014199856185804,
"volume": 99.29501255090477,
"volume_molar": 29.89842711737576,
"formula_full": "Sr1 Eu1",
"formula_reduced": "SrEu",
"formula_anonymous": "AB",
"energy": -11.87786284,
"energy_per_atom": -5.93893142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.87786284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.3819571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.978000Z",
"spacegroup": 187
}
]
}