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=12169",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12167",
"results": [
{
"id": "mp-1042181",
"created_at": "2022-09-04T14:41:53.650335Z",
"structure_string": "Ba1 Al1 Cu1 Ag1 O5\n1.0\n3.768533 0.000000 0.000000\n0.000000 3.768533 0.000000\n0.000000 0.000000 8.317897\nBa Al Cu Ag O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.007060 Ba\n0.000000 0.000000 0.458597 Al\n0.500000 0.500000 0.251407 Cu\n0.500000 0.500000 0.694156 Ag\n0.000000 0.500000 0.590841 O\n0.500000 0.000000 0.590841 O\n0.000000 0.500000 0.307530 O\n0.500000 0.000000 0.307530 O\n0.500000 0.500000 0.980014 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Al",
"Cu",
"Ag",
"O"
],
"chemical_system": "Ag-Al-Ba-Cu-O",
"density": 5.843749075863613,
"density_atomic": 0.0761876057857671,
"volume": 118.12945041621619,
"volume_molar": 7.904357536754383,
"formula_full": "Ba1 Al1 Cu1 Ag1 O5",
"formula_reduced": "BaAlCuAgO5",
"formula_anonymous": "ABCDE5",
"energy": -51.59438196,
"energy_per_atom": -5.732709106666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.15938196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011238,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.848000Z",
"spacegroup": 99
},
{
"id": "mp-1228156",
"created_at": "2022-09-04T14:43:22.477451Z",
"structure_string": "Ba2 Al5 Ag5\n1.0\n4.404568 -5.566506 0.000000\n4.404568 5.566506 0.000000\n0.000000 0.000000 5.578130\nBa Al Ag\n2 5 5\ndirect\n0.832495 0.832495 0.000000 Ba\n0.175556 0.175556 0.500000 Ba\n0.290440 0.700906 0.250113 Al\n0.290440 0.700906 0.749887 Al\n0.700906 0.290440 0.250113 Al\n0.700906 0.290440 0.749887 Al\n0.577047 0.577047 0.500000 Al\n0.420189 0.024058 0.000000 Ag\n0.963705 0.582379 0.500000 Ag\n0.582379 0.963705 0.500000 Ag\n0.024058 0.420189 0.000000 Ag\n0.441878 0.441878 0.000000 Ag\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Al",
"Ag"
],
"chemical_system": "Ag-Al-Ba",
"density": 5.760579158255871,
"density_atomic": 0.04387090750363502,
"volume": 273.5297873426875,
"volume_molar": 13.72695734525442,
"formula_full": "Ba2 Al5 Ag5",
"formula_reduced": "Ba2(AlAg)5",
"formula_anonymous": "A2B5C5",
"energy": -40.08335583,
"energy_per_atom": -3.3402796525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.08335583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.518000Z",
"spacegroup": 38
},
{
"id": "mp-631568",
"created_at": "2022-09-04T14:41:27.732972Z",
"structure_string": "Al1 Ag1 B1\n1.0\n0.000000 2.846222 2.846222\n2.846222 0.000000 2.846222\n2.846222 2.846222 0.000000\nAl Ag B\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"Ag",
"B"
],
"chemical_system": "Ag-Al-B",
"density": 5.245118397368363,
"density_atomic": 0.06505563875274822,
"volume": 46.11437313530747,
"volume_molar": 9.256908202666136,
"formula_full": "Al1 Ag1 B1",
"formula_reduced": "AlAgB",
"formula_anonymous": "ABC",
"energy": -10.71665869,
"energy_per_atom": -3.572219563333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.71665869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006854,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.205000Z",
"spacegroup": 216
},
{
"id": "mp-1096668",
"created_at": "2022-09-04T14:44:18.682525Z",
"structure_string": "Al1 Ag1 Au2\n1.0\n-5.076489 5.572454 7.877301\n5.076489 -5.572454 7.877301\n5.076489 5.572454 -7.877301\nAl Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ag\n0.000000 0.236424 0.236424 Au\n0.000000 0.763576 0.763576 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Ag",
"Au"
],
"chemical_system": "Ag-Al-Au",
"density": 0.9850972507116281,
"density_atomic": 0.004487584277515951,
"volume": 891.3481625383874,
"volume_molar": 134.1956025243382,
"formula_full": "Al1 Ag1 Au2",
"formula_reduced": "AlAgAu2",
"formula_anonymous": "ABC2",
"energy": -9.3262889,
"energy_per_atom": -2.331572225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.3262889,
"band_gap": 1.4133999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.47e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.160000Z",
"spacegroup": 71
},
{
"id": "mp-1228947",
"created_at": "2022-09-04T14:41:12.921990Z",
"structure_string": "Al1 Ag4\n1.0\n11.712989 -1.472911 0.000000\n11.712989 1.472911 0.000000\n11.527770 0.000000 2.544424\nAl Ag\n1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.603645 0.603645 0.603645 Ag\n0.201190 0.201190 0.201190 Ag\n0.798810 0.798810 0.798810 Ag\n0.396355 0.396355 0.396355 Ag\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 8.671245147627953,
"density_atomic": 0.05695164650529107,
"volume": 87.7937743123103,
"volume_molar": 10.574129335208095,
"formula_full": "Al1 Ag4",
"formula_reduced": "AlAg4",
"formula_anonymous": "AB4",
"energy": -15.01285102,
"energy_per_atom": -3.002570204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.01285102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.266000Z",
"spacegroup": 166
},
{
"id": "mp-1228927",
"created_at": "2022-09-04T14:42:45.811228Z",
"structure_string": "Al1 Ag3\n1.0\n1.676778 -2.322707 0.000000\n1.676778 2.322707 0.000000\n0.000000 0.000000 8.982326\nAl Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.763739 Ag\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.236261 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 8.320607458548649,
"density_atomic": 0.05717039417644796,
"volume": 69.96628338182508,
"volume_molar": 10.533670174484985,
"formula_full": "Al1 Ag3",
"formula_reduced": "AlAg3",
"formula_anonymous": "AB3",
"energy": -12.18500697,
"energy_per_atom": -3.0462517425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.18500697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.465000Z",
"spacegroup": 65
},
{
"id": "mp-1228901",
"created_at": "2022-09-04T14:41:13.974905Z",
"structure_string": "Al1 Ag1\n1.0\n1.483448 -2.569407 0.000000\n1.483448 2.569407 0.000000\n0.000000 0.000000 4.427628\nAl Ag\n1 1\ndirect\n0.000000 0.000000 0.500000 Al\n0.666667 0.333333 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 6.634265612522639,
"density_atomic": 0.05925481470921542,
"volume": 33.75253150000917,
"volume_molar": 10.163124784969456,
"formula_full": "Al1 Ag1",
"formula_reduced": "AlAg",
"formula_anonymous": "AB",
"energy": -6.65754662,
"energy_per_atom": -3.32877331,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.65754662,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.768000Z",
"spacegroup": 187
},
{
"id": "mp-1183130",
"created_at": "2022-09-04T14:41:03.975794Z",
"structure_string": "Al3 Ag1\n1.0\n4.081513 0.000000 0.000000\n0.000000 4.081513 0.000000\n0.000000 0.000000 4.081513\nAl Ag\n3 1\ndirect\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 4.6112324372586855,
"density_atomic": 0.058829673623979103,
"volume": 67.99289803249208,
"volume_molar": 10.236570065799858,
"formula_full": "Al3 Ag1",
"formula_reduced": "Al3Ag",
"formula_anonymous": "AB3",
"energy": -13.89746593,
"energy_per_atom": -3.4743664825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.89746593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.954000Z",
"spacegroup": 221
},
{
"id": "mp-1228988",
"created_at": "2022-09-04T14:47:46.142700Z",
"structure_string": "Al5 Ag15\n1.0\n4.975182 -4.996738 0.000000\n4.975182 4.996738 0.000000\n-0.043207 0.000000 7.051096\nAl Ag\n5 15\ndirect\n0.688192 0.688192 0.688192 Al\n0.190384 0.317198 0.805871 Al\n0.317198 0.805871 0.190384 Al\n0.805871 0.190384 0.317198 Al\n0.058231 0.058231 0.058231 Al\n0.452646 0.198193 0.131043 Ag\n0.198193 0.131043 0.452646 Ag\n0.131043 0.452646 0.198193 Ag\n0.961230 0.803623 0.364100 Ag\n0.702983 0.874477 0.041433 Ag\n0.631518 0.542272 0.299433 Ag\n0.542272 0.299433 0.631518 Ag\n0.803623 0.364100 0.961230 Ag\n0.874477 0.041433 0.702983 Ag\n0.041433 0.702983 0.874477 Ag\n0.299433 0.631518 0.542272 Ag\n0.364099 0.961230 0.803623 Ag\n0.564636 0.935151 0.437387 Ag\n0.935151 0.437387 0.564636 Ag\n0.437387 0.564636 0.935151 Ag\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 8.302935589936267,
"density_atomic": 0.05704897182844782,
"volume": 350.5759939047118,
"volume_molar": 10.556089911855382,
"formula_full": "Al5 Ag15",
"formula_reduced": "AlAg3",
"formula_anonymous": "AB3",
"energy": -62.74090954,
"energy_per_atom": -3.137045477,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.74090954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.038000Z",
"spacegroup": 146
},
{
"id": "mp-985805",
"created_at": "2022-09-04T14:39:36.409675Z",
"structure_string": "Al2 Ag4\n1.0\n2.548697 -4.428788 0.000000\n2.548697 4.428788 0.000000\n0.000000 0.000000 4.569113\nAl Ag\n2 4\ndirect\n0.173285 0.173285 0.750000 Al\n0.826715 0.826715 0.250000 Al\n0.522258 0.843233 0.750000 Ag\n0.843233 0.522258 0.750000 Ag\n0.156767 0.477742 0.250000 Ag\n0.477742 0.156767 0.250000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 7.8147659250124795,
"density_atomic": 0.0581682845873596,
"volume": 103.14899334858234,
"volume_molar": 10.352962619957776,
"formula_full": "Al2 Ag4",
"formula_reduced": "AlAg2",
"formula_anonymous": "AB2",
"energy": -19.27423641,
"energy_per_atom": -3.212372735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.27423641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.415000Z",
"spacegroup": 63
},
{
"id": "mp-8566",
"created_at": "2022-09-04T14:42:04.924127Z",
"structure_string": "Ag4\n1.0\n1.475603 -2.555819 0.000000\n1.475603 2.555819 0.000000\n0.000000 0.000000 9.585754\nAg\n4\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.90938316383208,
"density_atomic": 0.05532279233174705,
"volume": 72.30293033680795,
"volume_molar": 10.88546059621829,
"formula_full": "Ag4",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -11.30131807,
"energy_per_atom": -2.8253295175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.30131807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.746000Z",
"spacegroup": 194
},
{
"id": "mp-124",
"created_at": "2022-09-04T14:46:26.019249Z",
"structure_string": "Ag1\n1.0\n0.000000 2.080274 2.080274\n2.080274 0.000000 2.080274\n2.080274 2.080274 0.000000\nAg\n1\ndirect\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ag"
],
"chemical_system": "Ag",
"density": 9.948346655461544,
"density_atomic": 0.05554032041803643,
"volume": 18.004937538589626,
"volume_molar": 10.842826823239468,
"formula_full": "Ag1",
"formula_reduced": "Ag",
"formula_anonymous": "A",
"energy": -2.82894684,
"energy_per_atom": -2.82894684,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.82894684,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003477,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:34.184000Z",
"spacegroup": 225
}
]
}