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=-chemical_system&page=12146",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12144",
"results": [
{
"id": "mp-1112101",
"created_at": "2022-09-04T14:46:29.377397Z",
"structure_string": "K2 Ag1 Au1 Br6\n1.0\n0.000000 5.416977 5.416977\n5.416977 0.000000 5.416977\n5.416977 5.416977 0.000000\nK Ag Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.752047 0.247953 0.247953 Br\n0.247953 0.247953 0.752047 Br\n0.247953 0.752047 0.752047 Br\n0.247953 0.752047 0.247953 Br\n0.752047 0.247953 0.752047 Br\n0.752047 0.752047 0.247953 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ag",
"Au",
"Br"
],
"chemical_system": "Ag-Au-Br-K",
"density": 4.504895873105154,
"density_atomic": 0.03145567648075895,
"volume": 317.9076439865116,
"volume_molar": 19.1448458076674,
"formula_full": "K2 Ag1 Au1 Br6",
"formula_reduced": "K2AgAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.59997312,
"energy_per_atom": -2.959997312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.39597312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012987,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.404000Z",
"spacegroup": 225
},
{
"id": "mp-1113575",
"created_at": "2022-09-04T14:47:38.794034Z",
"structure_string": "Cs2 Ag1 Au1 Br6\n1.0\n0.000000 5.489549 5.489549\n5.489549 0.000000 5.489549\n5.489549 5.489549 0.000000\nCs Ag Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n0.752924 0.247076 0.247076 Br\n0.247076 0.247076 0.752924 Br\n0.247076 0.752924 0.752924 Br\n0.247076 0.752924 0.247076 Br\n0.752924 0.247076 0.752924 Br\n0.752924 0.752924 0.247076 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Au",
"Br"
],
"chemical_system": "Ag-Au-Br-Cs",
"density": 5.270201492282821,
"density_atomic": 0.030224561334514465,
"volume": 330.8567455892455,
"volume_molar": 19.924658933339455,
"formula_full": "Cs2 Ag1 Au1 Br6",
"formula_reduced": "Cs2AgAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.786468140000004,
"energy_per_atom": -2.978646814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58246814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.596000Z",
"spacegroup": 225
},
{
"id": "mp-556896",
"created_at": "2022-09-04T14:40:05.012607Z",
"structure_string": "Ba8 Ag2 Au2 O12\n1.0\n2.949934 -6.704229 0.000000\n2.949934 6.704229 0.000000\n0.000000 0.000000 11.631725\nBa Ag Au O\n8 2 2 12\ndirect\n0.212834 0.921375 0.750000 Ba\n0.646250 0.353750 0.500000 Ba\n0.787166 0.078625 0.250000 Ba\n0.921375 0.212834 0.750000 Ba\n0.078625 0.787166 0.250000 Ba\n0.353750 0.646250 0.000000 Ba\n0.353750 0.646250 0.500000 Ba\n0.646250 0.353750 0.000000 Ba\n0.403107 0.403107 0.250000 Ag\n0.596893 0.596893 0.750000 Ag\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n0.239320 0.559348 0.250000 O\n0.154680 0.845320 0.500000 O\n0.559348 0.239320 0.250000 O\n0.729608 0.729608 0.391000 O\n0.154680 0.845320 0.000000 O\n0.845320 0.154680 0.000000 O\n0.440652 0.760680 0.750000 O\n0.760680 0.440652 0.750000 O\n0.729608 0.729608 0.109000 O\n0.845320 0.154680 0.500000 O\n0.270392 0.270392 0.609000 O\n0.270392 0.270392 0.891000 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ba",
"Ag",
"Au",
"O"
],
"chemical_system": "Ag-Au-Ba-O",
"density": 6.858530176231175,
"density_atomic": 0.052164611867184504,
"volume": 460.0820199929029,
"volume_molar": 11.544494523093313,
"formula_full": "Ba8 Ag2 Au2 O12",
"formula_reduced": "Ba4AgAuO6",
"formula_anonymous": "ABC4D6",
"energy": -139.68324758,
"energy_per_atom": -5.820135315833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.43924758,
"band_gap": 1.8623000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0037911,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.162000Z",
"spacegroup": 63
},
{
"id": "mp-1097642",
"created_at": "2022-09-04T14:48:04.059873Z",
"structure_string": "Ba2 Ag1 Au1\n1.0\n-6.505122 6.763176 9.565185\n6.505122 -6.763176 9.565185\n6.505122 6.763176 -9.565185\nBa Ag Au\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Ba\n0.000000 0.744490 0.744490 Ba\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Ba",
"density": 0.5716558078101134,
"density_atomic": 0.00237629574635894,
"volume": 1683.2921601315693,
"volume_molar": 253.4255582129193,
"formula_full": "Ba2 Ag1 Au1",
"formula_reduced": "Ba2AgAu",
"formula_anonymous": "ABC2",
"energy": -6.63025291,
"energy_per_atom": -1.6575632275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.63025291,
"band_gap": 0.1156999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.154000Z",
"spacegroup": 71
},
{
"id": "mp-1183227",
"created_at": "2022-09-04T14:42:00.987350Z",
"structure_string": "Ag1 Au1\n1.0\n1.468806 -2.544046 0.000000\n1.468806 2.544046 0.000000\n0.000000 0.000000 4.828324\nAg Au\n1 1\ndirect\n0.333333 0.666667 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 14.028065961543124,
"density_atomic": 0.05542608418147444,
"volume": 36.0840934288567,
"volume_molar": 10.865174491278305,
"formula_full": "Ag1 Au1",
"formula_reduced": "AgAu",
"formula_anonymous": "AB",
"energy": -6.17619639,
"energy_per_atom": -3.088098195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.17619639,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010348,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.950000Z",
"spacegroup": 187
},
{
"id": "mp-1183224",
"created_at": "2022-09-04T14:39:44.831630Z",
"structure_string": "Ag1 Au3\n1.0\n-2.076269 2.076269 4.216989\n2.076269 -2.076269 4.216989\n2.076269 2.076269 -4.216989\nAg Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 15.957040563477603,
"density_atomic": 0.05500856204576687,
"volume": 72.71595277607908,
"volume_molar": 10.947642577876524,
"formula_full": "Ag1 Au3",
"formula_reduced": "AgAu3",
"formula_anonymous": "AB3",
"energy": -12.80994115,
"energy_per_atom": -3.2024852875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.80994115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.180000Z",
"spacegroup": 139
},
{
"id": "mp-1183214",
"created_at": "2022-09-04T14:46:39.070655Z",
"structure_string": "Ag3 Au1\n1.0\n-2.087222 2.087222 4.142281\n2.087222 -2.087222 4.142281\n2.087222 2.087222 -4.142281\nAg Au\n3 1\ndirect\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 11.975464664273616,
"density_atomic": 0.05541446641243728,
"volume": 72.18331708238259,
"volume_molar": 10.867452399845511,
"formula_full": "Ag3 Au1",
"formula_reduced": "Ag3Au",
"formula_anonymous": "AB3",
"energy": -11.93374256,
"energy_per_atom": -2.98343564,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.93374256,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003123,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.579000Z",
"spacegroup": 139
},
{
"id": "mp-863750",
"created_at": "2022-09-04T14:45:13.407675Z",
"structure_string": "Ag1 Au3\n1.0\n4.170213 0.000000 0.000000\n0.000000 4.170213 0.000000\n0.000000 0.000000 4.170213\nAg Au\n1 3\ndirect\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Au\n0.000000 0.500000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 15.9995340344924,
"density_atomic": 0.05515504940522171,
"volume": 72.52282507467588,
"volume_molar": 10.918566522813892,
"formula_full": "Ag1 Au3",
"formula_reduced": "AgAu3",
"formula_anonymous": "AB3",
"energy": -12.81051485,
"energy_per_atom": -3.2026287125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.81051485,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.497000Z",
"spacegroup": 221
},
{
"id": "mp-1229092",
"created_at": "2022-09-04T14:40:56.520613Z",
"structure_string": "Ag1 Au1\n1.0\n4.864328 -1.473069 0.000000\n4.864328 1.473069 0.000000\n4.418238 0.000000 2.512130\nAg Au\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 14.06033119330126,
"density_atomic": 0.055553566862013855,
"volume": 36.00128871954665,
"volume_molar": 10.840241410525506,
"formula_full": "Ag1 Au1",
"formula_reduced": "AgAu",
"formula_anonymous": "AB",
"energy": -6.1898896,
"energy_per_atom": -3.0949448,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.1898896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.014000Z",
"spacegroup": 166
},
{
"id": "mp-1183205",
"created_at": "2022-09-04T14:45:35.698034Z",
"structure_string": "Ag6 Au2\n1.0\n2.944891 -5.100701 0.000000\n2.944891 5.100701 0.000000\n0.000000 0.000000 4.827639\nAg Au\n6 2\ndirect\n0.166349 0.332697 0.250000 Ag\n0.667303 0.833651 0.250000 Ag\n0.166349 0.833651 0.250000 Ag\n0.833651 0.667303 0.750000 Ag\n0.332697 0.166349 0.750000 Ag\n0.833651 0.166349 0.750000 Ag\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 11.920523580222474,
"density_atomic": 0.05516023570472222,
"volume": 145.03201260460037,
"volume_molar": 10.91753993263747,
"formula_full": "Ag6 Au2",
"formula_reduced": "Ag3Au",
"formula_anonymous": "AB3",
"energy": -23.80016973,
"energy_per_atom": -2.97502121625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.80016973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.785000Z",
"spacegroup": 194
},
{
"id": "mp-985287",
"created_at": "2022-09-04T14:41:47.293946Z",
"structure_string": "Ag2 Au6\n1.0\n2.931441 -5.077404 0.000000\n2.931441 5.077404 0.000000\n0.000000 0.000000 4.856092\nAg Au\n2 6\ndirect\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n0.167198 0.334397 0.250000 Au\n0.665603 0.832802 0.250000 Au\n0.167198 0.832802 0.250000 Au\n0.832802 0.665603 0.750000 Au\n0.334397 0.167198 0.750000 Au\n0.832802 0.167198 0.750000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 16.053593559977756,
"density_atomic": 0.05534140831995884,
"volume": 144.55721751328844,
"volume_molar": 10.881798896737003,
"formula_full": "Ag2 Au6",
"formula_reduced": "AgAu3",
"formula_anonymous": "AB3",
"energy": -25.56199105,
"energy_per_atom": -3.19524888125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.56199105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002694,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.199000Z",
"spacegroup": 194
},
{
"id": "mp-1183137",
"created_at": "2022-09-04T14:41:14.545593Z",
"structure_string": "Ag3 Au1\n1.0\n4.161629 0.000000 0.000000\n0.000000 4.161629 0.000000\n0.000000 0.000000 4.161629\nAg Au\n3 1\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Au"
],
"chemical_system": "Ag-Au",
"density": 11.993311828408785,
"density_atomic": 0.05549705118933333,
"volume": 72.07590158896244,
"volume_molar": 10.851280619315986,
"formula_full": "Ag3 Au1",
"formula_reduced": "Ag3Au",
"formula_anonymous": "AB3",
"energy": -11.9278673,
"energy_per_atom": -2.981966825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.9278673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010602,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.830000Z",
"spacegroup": 221
}
]
}