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=45",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=43",
"results": [
{
"id": "mp-996964",
"created_at": "2022-09-04T14:39:26.011164Z",
"structure_string": "Cd2 Ag2 O4\n1.0\n3.475670 0.000000 0.000000\n0.000000 4.535130 0.000000\n0.000000 0.000000 6.901670\nCd Ag O\n2 2 4\ndirect\n0.489560 0.500000 0.750000 Cd\n0.510440 0.500000 0.250000 Cd\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.366120 0.000000 0.250000 O\n0.633880 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": [
"Cd",
"Ag",
"O"
],
"chemical_system": "Ag-Cd-O",
"density": 7.70151218016474,
"density_atomic": 0.07353727305565186,
"volume": 108.78836904851946,
"volume_molar": 8.189235893262643,
"formula_full": "Cd2 Ag2 O4",
"formula_reduced": "CdAgO2",
"formula_anonymous": "ABC2",
"energy": -34.31383668,
"energy_per_atom": -4.289229585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.56583668,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021556,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.359000Z",
"spacegroup": 51
},
{
"id": "mp-996963",
"created_at": "2022-09-04T14:39:22.418719Z",
"structure_string": "Cd2 Ag2 O4\n1.0\n4.656391 3.414956 0.000000\n-4.656391 3.414956 0.000000\n0.000000 0.133660 3.445543\nCd Ag O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Cd\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.228316 0.771684 0.000000 O\n0.252263 0.252263 0.630147 O\n0.771684 0.228316 0.000000 O\n0.747737 0.747737 0.369853 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cd",
"Ag",
"O"
],
"chemical_system": "Ag-Cd-O",
"density": 7.646034425444811,
"density_atomic": 0.07300754815203342,
"volume": 109.57771083259125,
"volume_molar": 8.248654984905516,
"formula_full": "Cd2 Ag2 O4",
"formula_reduced": "CdAgO2",
"formula_anonymous": "ABC2",
"energy": -34.34775133,
"energy_per_atom": -4.29346891625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.59975133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.765000Z",
"spacegroup": 12
},
{
"id": "mp-996962",
"created_at": "2022-09-04T14:46:35.016781Z",
"structure_string": "Li2 Ag2 O4\n1.0\n3.768465 0.000000 0.000000\n0.000000 4.775059 0.000000\n0.000000 0.725918 5.352125\nLi Ag O\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.308613 0.247434 0.748712 O\n0.691387 0.752566 0.251288 O\n0.191387 0.247434 0.248712 O\n0.808613 0.752566 0.751288 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ag",
"O"
],
"chemical_system": "Ag-Li-O",
"density": 5.06243359245813,
"density_atomic": 0.08306546698400873,
"volume": 96.30957713799542,
"volume_molar": 7.24987287576358,
"formula_full": "Li2 Ag2 O4",
"formula_reduced": "LiAgO2",
"formula_anonymous": "ABC2",
"energy": -38.12920475,
"energy_per_atom": -4.76615059375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.38120475,
"band_gap": 0.6091000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001164,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.221000Z",
"spacegroup": 14
},
{
"id": "mp-996961",
"created_at": "2022-09-04T14:46:39.486696Z",
"structure_string": "Li2 Au2 O4\n1.0\n2.039818 5.483990 0.000000\n-2.039818 5.483990 0.000000\n0.000000 2.231154 4.919126\nLi Au O\n2 2 4\ndirect\n0.372288 0.627712 0.250000 Li\n0.627712 0.372288 0.750000 Li\n0.000000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.314595 0.405809 0.632328 O\n0.405809 0.314595 0.132328 O\n0.594191 0.685405 0.867672 O\n0.685405 0.594191 0.367672 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Au",
"O"
],
"chemical_system": "Au-Li-O",
"density": 7.118897546753338,
"density_atomic": 0.07269155687336713,
"volume": 110.05404677102266,
"volume_molar": 8.284512010784024,
"formula_full": "Li2 Au2 O4",
"formula_reduced": "LiAuO2",
"formula_anonymous": "ABC2",
"energy": -39.78186033,
"energy_per_atom": -4.97273254125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.03386033,
"band_gap": 0.8734999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032457,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.366000Z",
"spacegroup": 15
},
{
"id": "mp-996960",
"created_at": "2022-09-04T14:44:48.556549Z",
"structure_string": "Ag2 N2 O4\n1.0\n2.532711 3.866243 0.000000\n-2.532711 3.866243 0.000000\n0.000000 3.664917 6.613565\nAg N O\n2 2 4\ndirect\n0.035540 0.557460 0.713470 Ag\n0.442540 0.964460 0.286530 Ag\n0.634480 0.005740 0.744790 N\n0.994260 0.365520 0.255210 N\n0.818790 0.397870 0.155770 O\n0.902960 0.583960 0.344950 O\n0.416040 0.097040 0.655050 O\n0.602130 0.181210 0.844230 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 3.945509421071105,
"density_atomic": 0.061766014885733946,
"volume": 129.52106453362518,
"volume_molar": 9.749926025081683,
"formula_full": "Ag2 N2 O4",
"formula_reduced": "AgNO2",
"formula_anonymous": "ABC2",
"energy": -46.13691041,
"energy_per_atom": -5.76711380125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.38891041,
"band_gap": 1.4382,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.704000Z",
"spacegroup": 5
},
{
"id": "mp-996959",
"created_at": "2022-09-04T14:44:25.502018Z",
"structure_string": "Li2 Au2 O4\n1.0\n-2.150995 2.150995 5.369554\n2.150995 -2.150995 5.369554\n2.150995 2.150995 -5.369554\nLi Au O\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Au\n0.250000 0.750000 0.500000 Au\n0.121790 0.625000 0.996790 O\n0.628210 0.125000 0.003210 O\n0.375000 0.878210 0.003210 O\n0.875000 0.371790 0.996790 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Au",
"O"
],
"chemical_system": "Au-Li-O",
"density": 7.8839117064878845,
"density_atomic": 0.08050316954738808,
"volume": 99.37496927112679,
"volume_molar": 7.480625662142502,
"formula_full": "Li2 Au2 O4",
"formula_reduced": "LiAuO2",
"formula_anonymous": "ABC2",
"energy": -40.05440759,
"energy_per_atom": -5.00680094875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.30640759,
"band_gap": 1.3059,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.95e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.440000Z",
"spacegroup": 98
},
{
"id": "mp-996958",
"created_at": "2022-09-04T14:47:46.971663Z",
"structure_string": "Ag2 H2 O4\n1.0\n3.694166 4.238155 0.000000\n-3.694166 4.238155 0.000000\n0.000000 1.736699 3.543196\nAg H O\n2 2 4\ndirect\n0.993090 0.492900 0.823410 Ag\n0.492900 0.993090 0.823410 Ag\n0.021810 0.021810 0.239080 H\n0.966370 0.966370 0.789950 H\n0.108505 0.108505 0.961520 O\n0.385840 0.561090 0.271450 O\n0.879760 0.879760 0.676220 O\n0.561090 0.385840 0.271450 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"H",
"O"
],
"chemical_system": "Ag-H-O",
"density": 4.216910870486556,
"density_atomic": 0.0721060277810094,
"volume": 110.94772859068745,
"volume_molar": 8.351785482192453,
"formula_full": "Ag2 H2 O4",
"formula_reduced": "AgHO2",
"formula_anonymous": "ABC2",
"energy": -38.09456522,
"energy_per_atom": -4.7618206525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.34656522,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2705787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.855000Z",
"spacegroup": 8
},
{
"id": "mp-996957",
"created_at": "2022-09-04T14:46:17.649572Z",
"structure_string": "Mg2 Cr4 Se8\n1.0\n0.000000 5.381462 5.381462\n5.381462 0.000000 5.381462\n5.381462 5.381462 0.000000\nMg Cr Se\n2 4 8\ndirect\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.625000 0.125000 0.625000 Cr\n0.625000 0.625000 0.125000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n0.388164 0.835508 0.388164 Se\n0.861836 0.861836 0.414492 Se\n0.861836 0.861836 0.861836 Se\n0.414492 0.861836 0.861836 Se\n0.388164 0.388164 0.388164 Se\n0.835508 0.388164 0.388164 Se\n0.861836 0.414492 0.861836 Se\n0.388164 0.388164 0.835508 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"Se"
],
"chemical_system": "Cr-Mg-Se",
"density": 4.732225308908474,
"density_atomic": 0.044915600066129914,
"volume": 311.6957132797422,
"volume_molar": 13.407681854708635,
"formula_full": "Mg2 Cr4 Se8",
"formula_reduced": "Mg(CrSe2)2",
"formula_anonymous": "AB2C4",
"energy": -83.83092982,
"energy_per_atom": -5.9879235585714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.05492982,
"band_gap": 0.6322000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9997762,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.417000Z",
"spacegroup": 227
},
{
"id": "mp-996956",
"created_at": "2022-09-04T14:39:31.081087Z",
"structure_string": "Cu2 H2 O4\n1.0\n2.788733 0.000000 0.000000\n0.000000 4.411048 0.000000\n0.000000 0.000000 5.967421\nCu H O\n2 2 4\ndirect\n0.500000 0.786368 0.764038 Cu\n0.000000 0.286368 0.235962 Cu\n0.000000 0.326340 0.743557 H\n0.500000 0.826340 0.256443 H\n0.500000 0.039301 0.340733 O\n0.000000 0.539301 0.659267 O\n0.500000 0.534381 0.144944 O\n0.000000 0.034381 0.855056 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O",
"density": 4.368258172555339,
"density_atomic": 0.10898195369800795,
"volume": 73.40664879405837,
"volume_molar": 5.525814646971297,
"formula_full": "Cu2 H2 O4",
"formula_reduced": "CuHO2",
"formula_anonymous": "ABC2",
"energy": -42.70926391,
"energy_per_atom": -5.33865798875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.96126391,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.422000Z",
"spacegroup": 31
},
{
"id": "mp-996955",
"created_at": "2022-09-04T14:42:46.095084Z",
"structure_string": "H1 Au1 O2\n1.0\n1.553255 3.924480 0.000000\n-1.553255 3.924480 0.000000\n0.000000 0.599440 4.492278\nH Au O\n1 1 2\ndirect\n0.000000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 Au\n0.927750 0.927750 0.753500 O\n0.072250 0.072250 0.246500 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"Au",
"O"
],
"chemical_system": "Au-H-O",
"density": 6.9727650415822415,
"density_atomic": 0.07303625410082124,
"volume": 54.76732136999101,
"volume_molar": 8.245412958456047,
"formula_full": "H1 Au1 O2",
"formula_reduced": "HAuO2",
"formula_anonymous": "ABC2",
"energy": -19.50484475,
"energy_per_atom": -4.8762111875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.13084475,
"band_gap": 1.2771,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.571000Z",
"spacegroup": 12
},
{
"id": "mp-996954",
"created_at": "2022-09-04T14:46:09.081889Z",
"structure_string": "Cu1 Pt1 O2\n1.0\n2.984195 0.000000 0.000000\n0.000000 3.141762 0.000000\n0.000000 0.000000 5.304887\nCu Pt O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.747971 O\n0.000000 0.500000 0.252029 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Pt",
"O"
],
"chemical_system": "Cu-O-Pt",
"density": 9.703113866394776,
"density_atomic": 0.08042357472340049,
"volume": 49.736660099443924,
"volume_molar": 7.488029201278173,
"formula_full": "Cu1 Pt1 O2",
"formula_reduced": "CuPtO2",
"formula_anonymous": "ABC2",
"energy": -23.32027826,
"energy_per_atom": -5.830069565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.94627826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0625625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.050000Z",
"spacegroup": 47
},
{
"id": "mp-996953",
"created_at": "2022-09-04T14:46:04.142880Z",
"structure_string": "Cu1 H1 O2\n1.0\n1.394985 3.242874 0.000000\n-1.394985 3.242874 0.000000\n0.000000 0.656603 4.393459\nCu H O\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 H\n0.078761 0.078761 0.235520 O\n0.921239 0.921239 0.764480 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O",
"density": 4.033457769624298,
"density_atomic": 0.10062915023058815,
"volume": 39.74991332863431,
"volume_molar": 5.984489331570899,
"formula_full": "Cu1 H1 O2",
"formula_reduced": "CuHO2",
"formula_anonymous": "ABC2",
"energy": -21.31880633,
"energy_per_atom": -5.3297015825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.94480633,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.727000Z",
"spacegroup": 12
}
]
}