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=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=12157",
"results": [
{
"id": "mp-997046",
"created_at": "2022-09-04T14:48:15.469492Z",
"structure_string": "Au2 Cl2 O4\n1.0\n3.432030 0.000000 0.000000\n0.000000 4.459390 0.000000\n0.000000 2.120120 11.796190\nAu Cl O\n2 2 4\ndirect\n0.250000 0.866280 0.072800 Au\n0.750000 0.133720 0.927200 Au\n0.750000 0.630480 0.201580 Cl\n0.250000 0.369520 0.798420 Cl\n0.250000 0.143760 0.434170 O\n0.750000 0.136690 0.549770 O\n0.750000 0.856240 0.565830 O\n0.250000 0.863310 0.450230 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"Cl",
"O"
],
"chemical_system": "Au-Cl-O",
"density": 4.86409921740735,
"density_atomic": 0.04431203517174059,
"volume": 180.5378599514629,
"volume_molar": 13.590305064210956,
"formula_full": "Au2 Cl2 O4",
"formula_reduced": "AuClO2",
"formula_anonymous": "ABC2",
"energy": -32.52337102,
"energy_per_atom": -4.0654213775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.65137102,
"band_gap": 0.8831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.618000Z",
"spacegroup": 11
},
{
"id": "mp-997047",
"created_at": "2022-09-04T14:41:13.685195Z",
"structure_string": "Ag2 Br2 O4\n1.0\n3.596241 0.000000 0.000000\n0.000000 4.215010 0.000000\n0.000000 1.087749 10.994881\nAg Br O\n2 2 4\ndirect\n0.750000 0.852496 0.905771 Ag\n0.250000 0.147504 0.094229 Ag\n0.750000 0.635479 0.159895 Br\n0.250000 0.364521 0.840105 Br\n0.750000 0.197778 0.525654 O\n0.250000 0.071621 0.419829 O\n0.750000 0.928379 0.580171 O\n0.250000 0.802222 0.474346 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 4.379369070653832,
"density_atomic": 0.04800119577666165,
"volume": 166.66251476780144,
"volume_molar": 12.545814041840986,
"formula_full": "Ag2 Br2 O4",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
"energy": -30.37998704,
"energy_per_atom": -3.79749838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.73598704,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.149000Z",
"spacegroup": 11
},
{
"id": "mp-997048",
"created_at": "2022-09-04T14:43:12.265881Z",
"structure_string": "Ag2 Br2 O4\n1.0\n10.759145 2.507600 0.000000\n-10.759145 2.507600 0.000000\n0.000000 0.089466 3.617378\nAg Br O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.342460 0.657540 0.750000 Br\n0.657540 0.342460 0.250000 Br\n0.091990 0.153750 0.245750 O\n0.908010 0.846250 0.754250 O\n0.846250 0.908010 0.254250 O\n0.153750 0.091990 0.745750 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Br",
"O"
],
"chemical_system": "Ag-Br-O",
"density": 3.739293607820342,
"density_atomic": 0.040985484812908465,
"volume": 195.19105450426153,
"volume_molar": 14.693350066468687,
"formula_full": "Ag2 Br2 O4",
"formula_reduced": "AgBrO2",
"formula_anonymous": "ABC2",
"energy": -30.34349222,
"energy_per_atom": -3.7929365275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.69949222,
"band_gap": 0.2785000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.504000Z",
"spacegroup": 15
},
{
"id": "mp-997051",
"created_at": "2022-09-04T14:45:00.416940Z",
"structure_string": "Pd1 Au1 O2\n1.0\n6.244535 -1.620348 0.000000\n6.244535 1.620348 0.000000\n5.824083 0.000000 2.774852\nPd Au O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Au\n0.111546 0.111546 0.111546 O\n0.888454 0.888454 0.888454 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pd",
"Au",
"O"
],
"chemical_system": "Au-O-Pd",
"density": 9.917791834950675,
"density_atomic": 0.07123308766530217,
"volume": 56.15367985723874,
"volume_molar": 8.45413410730671,
"formula_full": "Pd1 Au1 O2",
"formula_reduced": "PdAuO2",
"formula_anonymous": "ABC2",
"energy": -20.64031618,
"energy_per_atom": -5.160079045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.26631618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3082851,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.087000Z",
"spacegroup": 166
},
{
"id": "mp-997052",
"created_at": "2022-09-04T14:42:22.436217Z",
"structure_string": "Rb2 Ag2 O4\n1.0\n2.392796 -6.257472 0.000000\n2.392796 6.257472 0.000000\n0.000000 0.000000 6.063920\nRb Ag O\n2 2 4\ndirect\n0.700479 0.299521 0.250000 Rb\n0.299521 0.700479 0.750000 Rb\n0.997058 0.002942 0.250000 Ag\n0.002942 0.997058 0.750000 Ag\n0.890762 0.109238 0.994222 O\n0.109238 0.890762 0.005778 O\n0.109238 0.890762 0.494222 O\n0.890762 0.109238 0.505778 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"O"
],
"chemical_system": "Ag-O-Rb",
"density": 4.1211584574160725,
"density_atomic": 0.04405568306963806,
"volume": 181.5883773122877,
"volume_molar": 13.669384606932338,
"formula_full": "Rb2 Ag2 O4",
"formula_reduced": "RbAgO2",
"formula_anonymous": "ABC2",
"energy": -35.5132635,
"energy_per_atom": -4.4391579375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.7652635,
"band_gap": 1.0399,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.610000Z",
"spacegroup": 63
},
{
"id": "mp-997054",
"created_at": "2022-09-04T14:47:26.666916Z",
"structure_string": "Cu2 Bi2 O4\n1.0\n3.635338 0.000000 0.000000\n0.000000 6.156231 0.000000\n0.000000 2.941894 6.012915\nCu Bi O\n2 2 4\ndirect\n0.750000 0.972522 0.668383 Cu\n0.250000 0.027478 0.331617 Cu\n0.750000 0.567858 0.235378 Bi\n0.250000 0.432142 0.764622 Bi\n0.750000 0.639692 0.804143 O\n0.250000 0.700953 0.411233 O\n0.750000 0.299047 0.588767 O\n0.250000 0.360308 0.195857 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-O",
"density": 7.515494512131159,
"density_atomic": 0.05944909104232035,
"volume": 134.56892039451026,
"volume_molar": 10.129912256712194,
"formula_full": "Cu2 Bi2 O4",
"formula_reduced": "CuBiO2",
"formula_anonymous": "ABC2",
"energy": -45.8522302,
"energy_per_atom": -5.731528775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.1042302,
"band_gap": 0.6017999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.899000Z",
"spacegroup": 11
},
{
"id": "mp-997055",
"created_at": "2022-09-04T14:43:23.482061Z",
"structure_string": "Cu2 Bi2 O4\n1.0\n-1.984097 3.018550 5.694698\n1.984097 -3.018550 5.694698\n1.984097 3.018550 -5.694698\nCu Bi O\n2 2 4\ndirect\n0.276254 0.000000 0.276254 Cu\n0.723746 0.000000 0.723746 Cu\n0.196332 0.696332 0.500000 Bi\n0.803668 0.303668 0.500000 Bi\n0.085879 0.839905 0.245974 O\n0.593932 0.839905 0.754026 O\n0.406068 0.160095 0.245974 O\n0.914121 0.160095 0.754026 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-O",
"density": 7.41327936955716,
"density_atomic": 0.05864054846312255,
"volume": 136.4243720372258,
"volume_molar": 10.26958464378477,
"formula_full": "Cu2 Bi2 O4",
"formula_reduced": "CuBiO2",
"formula_anonymous": "ABC2",
"energy": -45.60536889,
"energy_per_atom": -5.70067111125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.85736889,
"band_gap": 0.6272000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.529000Z",
"spacegroup": 71
},
{
"id": "mp-997082",
"created_at": "2022-09-04T14:46:23.247109Z",
"structure_string": "Bi2 Au2 O4\n1.0\n3.684330 0.000000 0.000000\n0.000000 6.550560 0.000000\n0.000000 2.914062 6.034617\nBi Au O\n2 2 4\ndirect\n0.750000 0.936420 0.765530 Bi\n0.250000 0.063580 0.234470 Bi\n0.750000 0.527780 0.306640 Au\n0.250000 0.472220 0.693360 Au\n0.250000 0.125950 0.811060 O\n0.250000 0.815780 0.592750 O\n0.750000 0.184220 0.407250 O\n0.750000 0.874050 0.188940 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Bi",
"Au",
"O"
],
"chemical_system": "Au-Bi-O",
"density": 9.986487550224822,
"density_atomic": 0.054929206311135355,
"volume": 145.6420097294984,
"volume_molar": 10.96345853950411,
"formula_full": "Bi2 Au2 O4",
"formula_reduced": "BiAuO2",
"formula_anonymous": "ABC2",
"energy": -43.06348434,
"energy_per_atom": -5.3829355425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.31548434,
"band_gap": 1.0829,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.031000Z",
"spacegroup": 11
},
{
"id": "mp-997084",
"created_at": "2022-09-04T14:47:10.175886Z",
"structure_string": "Rb1 Ag1 O2\n1.0\n3.106980 0.000000 0.000000\n0.000000 3.944050 0.000000\n0.000000 0.000000 6.061490\nRb Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.221730 O\n0.000000 0.000000 0.778270 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Rb",
"Ag",
"O"
],
"chemical_system": "Ag-O-Rb",
"density": 5.037523704619208,
"density_atomic": 0.05385173855354297,
"volume": 74.27801046799881,
"volume_molar": 11.18281586027606,
"formula_full": "Rb1 Ag1 O2",
"formula_reduced": "RbAgO2",
"formula_anonymous": "ABC2",
"energy": -17.56273303,
"energy_per_atom": -4.3906832575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18873303,
"band_gap": 0.6814,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007983,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.225000Z",
"spacegroup": 47
},
{
"id": "mp-997085",
"created_at": "2022-09-04T14:40:29.608015Z",
"structure_string": "Sr2 Ag2 O4\n1.0\n3.654137 0.000000 0.000000\n0.000000 4.572684 0.000000\n0.000000 0.000000 7.608474\nSr Ag O\n2 2 4\ndirect\n0.490954 0.500000 0.750000 Sr\n0.509046 0.500000 0.250000 Sr\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.253560 0.000000 0.250000 O\n0.746440 0.000000 0.750000 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"O"
],
"chemical_system": "Ag-O-Sr",
"density": 5.942676644520864,
"density_atomic": 0.06292691056075568,
"volume": 127.13161870986868,
"volume_molar": 9.570056286468485,
"formula_full": "Sr2 Ag2 O4",
"formula_reduced": "SrAgO2",
"formula_anonymous": "ABC2",
"energy": -43.44381212,
"energy_per_atom": -5.430476515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.69581212,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001551,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.992000Z",
"spacegroup": 51
},
{
"id": "mp-997086",
"created_at": "2022-09-04T14:39:58.065861Z",
"structure_string": "Sr2 Ag2 O4\n1.0\n4.823504 3.648736 0.000000\n-4.823504 3.648736 0.000000\n0.000000 0.051814 3.646822\nSr Ag O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.280964 0.719036 0.500000 O\n0.719036 0.280964 0.500000 O\n0.249333 0.249333 0.790567 O\n0.750667 0.750667 0.209433 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"O"
],
"chemical_system": "Ag-O-Sr",
"density": 5.885536131502287,
"density_atomic": 0.062321850557124005,
"volume": 128.36589299714754,
"volume_molar": 9.66296845514901,
"formula_full": "Sr2 Ag2 O4",
"formula_reduced": "SrAgO2",
"formula_anonymous": "ABC2",
"energy": -43.47151695,
"energy_per_atom": -5.43393961875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.72351695,
"band_gap": 0.3423,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.609000Z",
"spacegroup": 12
},
{
"id": "mp-997088",
"created_at": "2022-09-04T14:45:20.963797Z",
"structure_string": "K2 Ag2 O4\n1.0\n2.194470 -6.104874 0.000000\n2.194470 6.104874 0.000000\n0.000000 0.000000 6.019700\nK Ag O\n2 2 4\ndirect\n0.293930 0.706070 0.750000 K\n0.706070 0.293930 0.250000 K\n0.003250 0.996750 0.750000 Ag\n0.996750 0.003250 0.250000 Ag\n0.112360 0.887640 0.006590 O\n0.887640 0.112360 0.506590 O\n0.112360 0.887640 0.493410 O\n0.887640 0.112360 0.993410 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Ag",
"O"
],
"chemical_system": "Ag-K-O",
"density": 3.684993525433901,
"density_atomic": 0.049599670366312396,
"volume": 161.29139449752313,
"volume_molar": 12.141493513009673,
"formula_full": "K2 Ag2 O4",
"formula_reduced": "KAgO2",
"formula_anonymous": "ABC2",
"energy": -35.9086073,
"energy_per_atom": -4.4885759125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.1606073,
"band_gap": 0.9659,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.597000Z",
"spacegroup": 63
}
]
}