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=-formula_reduced&page=12130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=12128",
"results": [
{
"id": "mp-22959",
"created_at": "2022-09-04T14:39:07.544954Z",
"structure_string": "Ag4 Cl4 O8\n1.0\n6.129461 0.000000 0.000000\n0.000000 6.282525 0.000000\n0.000000 0.000000 7.070052\nAg Cl O\n4 4 8\ndirect\n0.500000 0.250000 0.108877 Ag\n0.000000 0.250000 0.891123 Ag\n0.500000 0.750000 0.891123 Ag\n0.000000 0.750000 0.108877 Ag\n0.000000 0.750000 0.647351 Cl\n0.000000 0.250000 0.352649 Cl\n0.500000 0.750000 0.352649 Cl\n0.500000 0.250000 0.647351 Cl\n0.651149 0.393452 0.779949 O\n0.151149 0.106548 0.220051 O\n0.848851 0.393452 0.220051 O\n0.348851 0.106548 0.779949 O\n0.348851 0.606548 0.220051 O\n0.651149 0.893452 0.220051 O\n0.151149 0.606548 0.779949 O\n0.848851 0.893452 0.779949 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 4.277218446917697,
"density_atomic": 0.05876799351473507,
"volume": 272.25704066258913,
"volume_molar": 10.247313886069723,
"formula_full": "Ag4 Cl4 O8",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -62.01001835,
"energy_per_atom": -3.875626146875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.51401835,
"band_gap": 0.963,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000277,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.380000Z",
"spacegroup": 54
},
{
"id": "mp-997016",
"created_at": "2022-09-04T14:45:23.344027Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n10.325769 2.583260 0.000000\n-10.325769 2.583260 0.000000\n0.000000 0.036027 3.475242\nAg Cl O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.661770 0.338230 0.250000 Cl\n0.338230 0.661770 0.750000 Cl\n0.086130 0.152290 0.248230 O\n0.847710 0.913870 0.251770 O\n0.152290 0.086130 0.748230 O\n0.913870 0.847710 0.751770 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.140544726177673,
"density_atomic": 0.04315035913906791,
"volume": 185.39822517391005,
"volume_molar": 13.956177608143273,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -31.22577596,
"energy_per_atom": -3.903221995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.58177596,
"band_gap": 0.8646999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.146000Z",
"spacegroup": 15
},
{
"id": "mp-1101631",
"created_at": "2022-09-04T14:41:10.919867Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n3.862982 0.273515 2.731540\n0.436393 5.004682 8.051211\n0.213069 0.273515 7.893298\nAg Cl O\n2 2 4\ndirect\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n0.403319 0.297972 0.000737 O\n0.999263 0.202028 0.596681 O\n0.000737 0.797972 0.403319 O\n0.596681 0.702028 0.999263 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 4.128427688602729,
"density_atomic": 0.05672364286296794,
"volume": 141.03466555076992,
"volume_molar": 10.616632599828243,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -28.77980307,
"energy_per_atom": -3.59747538375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.03180307,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8811442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.339000Z",
"spacegroup": 64
},
{
"id": "mp-1079156",
"created_at": "2022-09-04T14:41:56.760941Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n3.331872 -3.522811 0.000000\n3.331872 3.522811 0.000000\n0.000000 0.000000 8.084414\nAg Cl O\n2 2 4\ndirect\n0.750000 0.250000 0.757454 Ag\n0.250000 0.750000 0.242546 Ag\n0.750000 0.250000 0.159411 Cl\n0.250000 0.750000 0.840589 Cl\n0.935951 0.435951 0.282231 O\n0.435951 0.935951 0.717769 O\n0.064049 0.564049 0.717769 O\n0.564049 0.064049 0.282231 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.0679929787402744,
"density_atomic": 0.04215351488717885,
"volume": 189.78251330669534,
"volume_molar": 14.286212611493653,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -29.5782296,
"energy_per_atom": -3.6972787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.8302296,
"band_gap": 0.9151,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009832,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.440000Z",
"spacegroup": 67
},
{
"id": "mp-996984",
"created_at": "2022-09-04T14:41:52.881649Z",
"structure_string": "Ag1 Cl1 O2\n1.0\n4.275880 0.000000 0.000000\n-2.124498 3.854806 0.000000\n-0.053721 -1.141606 6.573875\nAg Cl O\n1 1 2\ndirect\n0.859940 0.460940 0.053510 Ag\n0.532810 0.809750 0.047220 Cl\n0.162860 0.094050 0.572980 O\n0.299400 0.350580 0.485140 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 2.6867736649012284,
"density_atomic": 0.03691564956853246,
"volume": 108.35512978240182,
"volume_molar": 16.3132460904423,
"formula_full": "Ag1 Cl1 O2",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -15.67515322,
"energy_per_atom": -3.918788305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.35315322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999148,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.698000Z",
"spacegroup": 1
},
{
"id": "mp-997017",
"created_at": "2022-09-04T14:40:30.666432Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n2.241839 6.917021 0.000000\n-2.241839 6.917021 0.000000\n0.000000 0.666489 5.227082\nAg Cl O\n2 2 4\ndirect\n0.301150 0.301150 0.733760 Ag\n0.698850 0.698850 0.266240 Ag\n0.689933 0.689933 0.768868 Cl\n0.310067 0.310067 0.231132 Cl\n0.100558 0.823417 0.692322 O\n0.899442 0.176583 0.307678 O\n0.176583 0.899442 0.307678 O\n0.823417 0.100558 0.692322 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.591680791331609,
"density_atomic": 0.0493488644715078,
"volume": 162.11112627766548,
"volume_molar": 12.203200265077955,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -31.11531007,
"energy_per_atom": -3.88941375875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.47131007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0019645,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.050000Z",
"spacegroup": 12
},
{
"id": "mp-675942",
"created_at": "2022-09-04T14:46:26.361159Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n5.039496 0.000000 0.000000\n-0.556307 5.041066 0.000000\n-0.950769 -1.233371 6.051948\nAg Cl O\n2 2 4\ndirect\n0.499164 0.511446 0.994566 Ag\n0.031131 0.968130 0.498202 Ag\n0.920821 0.099367 0.004861 Cl\n0.509592 0.490840 0.497520 Cl\n0.697630 0.687794 0.320527 O\n0.905197 0.869683 0.796204 O\n0.145603 0.080428 0.202214 O\n0.306705 0.306803 0.674357 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.7870922044702278,
"density_atomic": 0.05203377215217845,
"volume": 153.74630108697724,
"volume_molar": 11.573523330938974,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -30.46197827,
"energy_per_atom": -3.80774728375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.71397827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0225319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.293000Z",
"spacegroup": 1
},
{
"id": "mp-552169",
"created_at": "2022-09-04T14:48:12.444602Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n3.413121 -3.435029 0.000000\n3.413121 3.435029 0.000000\n0.000000 0.000000 7.022827\nAg Cl O\n2 2 4\ndirect\n0.750000 0.250000 0.889440 Ag\n0.250000 0.750000 0.110560 Ag\n0.250000 0.750000 0.664156 Cl\n0.750000 0.250000 0.335844 Cl\n0.430306 0.569694 0.808043 O\n0.569694 0.430306 0.191957 O\n0.930306 0.069694 0.191957 O\n0.069694 0.930306 0.808043 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.535790270847355,
"density_atomic": 0.048580941629568136,
"volume": 164.67362985675246,
"volume_molar": 12.396097230718773,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -29.9112571,
"energy_per_atom": -3.7389071375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.1632571,
"band_gap": 0.9119,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.977000Z",
"spacegroup": 67
},
{
"id": "mp-22922",
"created_at": "2022-09-04T14:43:13.335905Z",
"structure_string": "Ag1 Cl1\n1.0\n0.000000 2.811198 2.811198\n2.811198 0.000000 2.811198\n2.811198 2.811198 0.000000\nAg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 5.356180845292489,
"density_atomic": 0.04501172889637266,
"volume": 44.4328633677782,
"volume_molar": 13.379047878530397,
"formula_full": "Ag1 Cl1",
"formula_reduced": "AgCl",
"formula_anonymous": "AB",
"energy": -6.14884946,
"energy_per_atom": -3.07442473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.53484946,
"band_gap": 0.9522000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001499,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.435000Z",
"spacegroup": 225
},
{
"id": "mp-570687",
"created_at": "2022-09-04T14:43:39.778180Z",
"structure_string": "Ag2 Cl2\n1.0\n4.003047 0.000000 0.000000\n0.000000 3.926879 0.000000\n0.000000 0.549155 5.572425\nAg Cl\n2 2\ndirect\n0.250000 0.184019 0.781919 Ag\n0.750000 0.815981 0.218081 Ag\n0.750000 0.707658 0.737436 Cl\n0.250000 0.292342 0.262564 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 5.433843026115748,
"density_atomic": 0.045664378448299195,
"volume": 87.59563002765415,
"volume_molar": 13.1878303496854,
"formula_full": "Ag2 Cl2",
"formula_reduced": "AgCl",
"formula_anonymous": "AB",
"energy": -12.25259887,
"energy_per_atom": -3.0631497175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.02459887,
"band_gap": 0.8720000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008053,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.471000Z",
"spacegroup": 11
},
{
"id": "mp-726265",
"created_at": "2022-09-04T14:43:04.206249Z",
"structure_string": "Ag1 Cl1\n1.0\n3.433973 0.000000 0.000000\n0.000000 3.433973 0.000000\n0.000000 0.000000 3.433973\nAg Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 5.877178819441274,
"density_atomic": 0.049390038786442075,
"volume": 40.49399533067414,
"volume_molar": 12.193026990805121,
"formula_full": "Ag1 Cl1",
"formula_reduced": "AgCl",
"formula_anonymous": "AB",
"energy": -5.87539735,
"energy_per_atom": -2.937698675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.26139735,
"band_gap": 0.6022000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001168,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.686000Z",
"spacegroup": 221
},
{
"id": "mp-570858",
"created_at": "2022-09-04T14:46:07.466036Z",
"structure_string": "Ag2 Cl2\n1.0\n1.887935 -5.773480 0.000000\n1.887935 5.773480 0.000000\n0.000000 0.000000 3.944345\nAg Cl\n2 2\ndirect\n0.393352 0.606648 0.750000 Ag\n0.606648 0.393352 0.250000 Ag\n0.868253 0.131747 0.250000 Cl\n0.131747 0.868253 0.750000 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 5.5355392606686955,
"density_atomic": 0.04651900294132809,
"volume": 85.98636572337942,
"volume_molar": 12.945549945675754,
"formula_full": "Ag2 Cl2",
"formula_reduced": "AgCl",
"formula_anonymous": "AB",
"energy": -12.15353907,
"energy_per_atom": -3.0383847675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.92553907,
"band_gap": 0.4437999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.570000Z",
"spacegroup": 63
}
]
}