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=83",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=81",
"results": [
{
"id": "mp-560923",
"created_at": "2022-09-04T14:48:16.876423Z",
"structure_string": "Ag2 Pb8 Cl2 O8\n1.0\n8.456078 0.000000 0.000000\n0.000000 8.456078 0.000000\n0.000000 0.000000 6.551467\nAg Pb Cl O\n2 8 2 8\ndirect\n0.500000 0.000000 0.904112 Ag\n0.000000 0.500000 0.095888 Ag\n0.195600 0.143901 0.223866 Pb\n0.356099 0.695600 0.223866 Pb\n0.643901 0.304400 0.223866 Pb\n0.304400 0.356099 0.776134 Pb\n0.143901 0.804400 0.776134 Pb\n0.856099 0.195600 0.776134 Pb\n0.804400 0.856099 0.223866 Pb\n0.695600 0.643901 0.776134 Pb\n0.000000 0.500000 0.486916 Cl\n0.500000 0.000000 0.513084 Cl\n0.752839 0.089672 0.071319 O\n0.410328 0.252839 0.071319 O\n0.247161 0.910328 0.071319 O\n0.589672 0.747161 0.071319 O\n0.910328 0.752839 0.928681 O\n0.252839 0.589672 0.928681 O\n0.089672 0.247161 0.928681 O\n0.747161 0.410328 0.928681 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ag",
"Pb",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O-Pb",
"density": 7.345343813075236,
"density_atomic": 0.042692685808056734,
"volume": 468.46431938994357,
"volume_molar": 14.105790362019187,
"formula_full": "Ag2 Pb8 Cl2 O8",
"formula_reduced": "AgPb4ClO4",
"formula_anonymous": "ABC4D4",
"energy": -105.44414723,
"energy_per_atom": -5.2722073615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.72014723,
"band_gap": 2.4109,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006429,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:54.809000Z",
"spacegroup": 85
},
{
"id": "mp-559470",
"created_at": "2022-09-04T14:39:59.715068Z",
"structure_string": "Ag2 Pb2 Br2 O2\n1.0\n4.027180 0.000000 0.000000\n0.000000 4.027180 0.000000\n0.000000 0.000000 14.241874\nAg Pb Br O\n2 2 2 2\ndirect\n0.500000 0.000000 0.407818 Ag\n0.000000 0.500000 0.592182 Ag\n0.000000 0.500000 0.084665 Pb\n0.500000 0.000000 0.915335 Pb\n0.000000 0.500000 0.385807 Br\n0.500000 0.000000 0.614193 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ag",
"Pb",
"Br",
"O"
],
"chemical_system": "Ag-Br-O-Pb",
"density": 5.909104663224649,
"density_atomic": 0.03463544445388324,
"volume": 230.97725830115803,
"volume_molar": 17.387219523105653,
"formula_full": "Ag2 Pb2 Br2 O2",
"formula_reduced": "AgPbBrO",
"formula_anonymous": "ABCD",
"energy": -34.33912115,
"energy_per_atom": -4.29239014375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.89712115,
"band_gap": 0.1882999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001555,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:44.800000Z",
"spacegroup": 129
},
{
"id": "mp-1206101",
"created_at": "2022-09-04T14:45:10.743378Z",
"structure_string": "Ag1 Pb1 F6\n1.0\n-2.587713 -4.372650 -2.396447\n-5.570236 -0.014205 -0.072887\n0.015955 -0.200885 -5.920679\nAg Pb F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n0.888821 0.863384 0.744415 F\n0.111179 0.136616 0.255585 F\n0.869649 0.753655 0.252249 F\n0.130351 0.246345 0.747751 F\n0.540813 0.605341 0.726272 F\n0.459187 0.394659 0.273728 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"F"
],
"chemical_system": "Ag-F-Pb",
"density": 5.040407641408272,
"density_atomic": 0.05659654500623058,
"volume": 141.35138459634416,
"volume_molar": 10.640474183251005,
"formula_full": "Ag1 Pb1 F6",
"formula_reduced": "AgPbF6",
"formula_anonymous": "ABC6",
"energy": -33.46951273,
"energy_per_atom": -4.18368909125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.69751273,
"band_gap": 0.2179999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0013274,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.688000Z",
"spacegroup": 2
},
{
"id": "mp-997021",
"created_at": "2022-09-04T14:45:18.065458Z",
"structure_string": "Ag2 Pb2 O4\n1.0\n3.571676 0.000000 0.000000\n0.000000 6.478030 0.000000\n0.000000 2.404691 6.408123\nAg Pb O\n2 2 4\ndirect\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.580837 0.175454 O\n0.000000 0.419163 0.824546 O\n0.500000 0.144738 0.175198 O\n0.500000 0.855262 0.824802 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 7.7740363204534795,
"density_atomic": 0.05395654557915566,
"volume": 148.26746067840446,
"volume_molar": 11.161093979163958,
"formula_full": "Ag2 Pb2 O4",
"formula_reduced": "AgPbO2",
"formula_anonymous": "ABC2",
"energy": -40.77170257,
"energy_per_atom": -5.09646282125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.02370257,
"band_gap": 0.1427999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000943,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.833000Z",
"spacegroup": 10
},
{
"id": "mp-997019",
"created_at": "2022-09-04T14:48:13.445726Z",
"structure_string": "Ag2 Pb2 O4\n1.0\n1.780265 6.519733 0.000000\n-1.780265 6.519733 0.000000\n0.000000 0.950972 6.430624\nAg Pb O\n2 2 4\ndirect\n0.749680 0.749680 0.195327 Ag\n0.250320 0.250320 0.804673 Ag\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.912360 0.912360 0.170379 O\n0.412396 0.412396 0.737937 O\n0.587604 0.587604 0.262063 O\n0.087640 0.087640 0.829621 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 7.721378428408064,
"density_atomic": 0.053591067745616935,
"volume": 149.2786081063723,
"volume_molar": 11.23720988091814,
"formula_full": "Ag2 Pb2 O4",
"formula_reduced": "AgPbO2",
"formula_anonymous": "ABC2",
"energy": -40.8608677,
"energy_per_atom": -5.1076084625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.1128677,
"band_gap": 0.0334000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.205000Z",
"spacegroup": 12
},
{
"id": "mp-1178556",
"created_at": "2022-09-04T14:41:16.152547Z",
"structure_string": "Ag2 Pb2 O6\n1.0\n5.330899 -2.889288 0.000000\n5.330899 2.889288 0.000000\n3.764938 0.000000 4.753074\nAg Pb O\n2 2 6\ndirect\n0.857425 0.857425 0.857425 Ag\n0.142575 0.142575 0.142575 Ag\n0.354165 0.354165 0.354165 Pb\n0.645835 0.645835 0.645835 Pb\n0.543821 0.951901 0.261131 O\n0.738869 0.456179 0.048099 O\n0.048099 0.738869 0.456179 O\n0.951901 0.261131 0.543821 O\n0.261131 0.543821 0.951901 O\n0.456179 0.048099 0.738869 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Pb",
"O"
],
"chemical_system": "Ag-O-Pb",
"density": 8.23510787178762,
"density_atomic": 0.0682973951800929,
"volume": 146.41846842959492,
"volume_molar": 8.817526267466368,
"formula_full": "Ag2 Pb2 O6",
"formula_reduced": "AgPbO3",
"formula_anonymous": "ABC3",
"energy": -51.25327082,
"energy_per_atom": -5.125327082,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.13127082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0014088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.044000Z",
"spacegroup": 148
},
{
"id": "mp-1229012",
"created_at": "2022-09-04T14:43:58.753980Z",
"structure_string": "Ag1 Pd1\n1.0\n4.733684 -1.435646 0.000000\n4.733684 1.435646 0.000000\n4.298277 0.000000 2.448196\nAg Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Pd"
],
"chemical_system": "Ag-Pd",
"density": 10.69361505301019,
"density_atomic": 0.06010452755190154,
"volume": 33.27536346197809,
"volume_molar": 10.019446130409648,
"formula_full": "Ag1 Pd1",
"formula_reduced": "AgPd",
"formula_anonymous": "AB",
"energy": -8.13020257,
"energy_per_atom": -4.065101285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.13020257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.17e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.928000Z",
"spacegroup": 166
},
{
"id": "mp-1183222",
"created_at": "2022-09-04T14:41:53.473145Z",
"structure_string": "Ag1 Pd1\n1.0\n1.429520 -2.476001 0.000000\n1.429520 2.476001 0.000000\n0.000000 0.000000 4.700114\nAg Pd\n1 1\ndirect\n0.000000 0.000000 0.500000 Ag\n0.666667 0.333333 0.000000 Pd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"Pd"
],
"chemical_system": "Ag-Pd",
"density": 10.694682977225131,
"density_atomic": 0.06011052992622324,
"volume": 33.272040729880494,
"volume_molar": 10.018445632389673,
"formula_full": "Ag1 Pd1",
"formula_reduced": "AgPd",
"formula_anonymous": "AB",
"energy": -8.10259649,
"energy_per_atom": -4.051298245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.10259649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006883,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.877000Z",
"spacegroup": 187
},
{
"id": "mp-1093988",
"created_at": "2022-09-04T14:45:28.369358Z",
"structure_string": "Ag1 Pd2 Au1\n1.0\n-5.269057 5.384305 7.536851\n5.269057 -5.384305 7.536851\n5.269057 5.384305 -7.536851\nAg Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.253308 0.253308 Pd\n0.000000 0.746692 0.746692 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 1.0050637865401093,
"density_atomic": 0.004676786244851576,
"volume": 855.2881809390767,
"volume_molar": 128.76664539948675,
"formula_full": "Ag1 Pd2 Au1",
"formula_reduced": "AgPd2Au",
"formula_anonymous": "ABC2",
"energy": -8.30794131,
"energy_per_atom": -2.0769853275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.30794131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0062372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.118000Z",
"spacegroup": 71
},
{
"id": "mp-1229031",
"created_at": "2022-09-04T14:42:17.525203Z",
"structure_string": "Ag1 Pd2 Au1\n1.0\n9.360150 -1.437397 0.000000\n9.360150 1.437397 0.000000\n9.139415 0.000000 2.479840\nAg Pd Au\n1 2 1\ndirect\n0.998031 0.998031 0.998031 Ag\n0.501829 0.501829 0.501829 Pd\n0.248508 0.248508 0.248508 Pd\n0.751632 0.751632 0.751632 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 12.88228481085152,
"density_atomic": 0.059944148035669435,
"volume": 66.72878222607855,
"volume_molar": 10.046252982720778,
"formula_full": "Ag1 Pd2 Au1",
"formula_reduced": "AgPd2Au",
"formula_anonymous": "ABC2",
"energy": -16.68869921,
"energy_per_atom": -4.1721748025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.68869921,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.108000Z",
"spacegroup": 160
},
{
"id": "mp-1097539",
"created_at": "2022-09-04T14:44:58.166422Z",
"structure_string": "Ag1 Pd2 Pb1\n1.0\n-5.167659 5.889676 8.324546\n5.167659 -5.889676 8.324546\n5.167659 5.889676 -8.324546\nAg Pd Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.258159 0.258159 Pd\n0.000000 0.741841 0.741841 Pd\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Pb"
],
"chemical_system": "Ag-Pb-Pd",
"density": 0.8649713132822026,
"density_atomic": 0.003946882434292623,
"volume": 1013.4581068961828,
"volume_molar": 152.5796843522985,
"formula_full": "Ag1 Pd2 Pb1",
"formula_reduced": "AgPd2Pb",
"formula_anonymous": "ABC2",
"energy": -10.69141761,
"energy_per_atom": -2.6728544025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.69141761,
"band_gap": 0.6372,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004745,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.973000Z",
"spacegroup": 71
},
{
"id": "mp-1200271",
"created_at": "2022-09-04T14:46:12.880731Z",
"structure_string": "Ag8 Pd24 Se8\n1.0\n8.775577 0.000000 0.000000\n0.000000 8.775577 0.000000\n0.000000 0.000000 8.775577\nAg Pd Se\n8 24 8\ndirect\n0.093665 0.906335 0.406335 Ag\n0.906335 0.406335 0.093665 Ag\n0.406335 0.093665 0.906335 Ag\n0.593665 0.593665 0.593665 Ag\n0.906335 0.093665 0.593665 Ag\n0.093665 0.593665 0.906335 Ag\n0.593665 0.906335 0.093665 Ag\n0.406335 0.406335 0.406335 Ag\n0.862454 0.086651 0.222514 Pd\n0.137546 0.586651 0.277486 Pd\n0.637546 0.913349 0.722514 Pd\n0.362454 0.413349 0.777486 Pd\n0.222514 0.862454 0.086651 Pd\n0.277486 0.137546 0.586651 Pd\n0.722514 0.637546 0.913349 Pd\n0.777486 0.362454 0.413349 Pd\n0.086651 0.222514 0.862454 Pd\n0.586651 0.277486 0.137546 Pd\n0.913349 0.722514 0.637546 Pd\n0.413349 0.777486 0.362454 Pd\n0.137546 0.913349 0.777486 Pd\n0.862454 0.413349 0.722514 Pd\n0.362454 0.086651 0.277486 Pd\n0.637546 0.586651 0.222514 Pd\n0.777486 0.137546 0.913349 Pd\n0.722514 0.862454 0.413349 Pd\n0.277486 0.362454 0.086651 Pd\n0.222514 0.637546 0.586651 Pd\n0.913349 0.777486 0.137546 Pd\n0.413349 0.722514 0.862454 Pd\n0.086651 0.277486 0.362454 Pd\n0.586651 0.222514 0.637546 Pd\n0.376825 0.623175 0.123175 Se\n0.623175 0.123175 0.376825 Se\n0.123175 0.376825 0.623175 Se\n0.876825 0.876825 0.876825 Se\n0.623175 0.376825 0.876825 Se\n0.376825 0.876825 0.623175 Se\n0.876825 0.623175 0.376825 Se\n0.123175 0.123175 0.123175 Se\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Se"
],
"chemical_system": "Ag-Pd-Se",
"density": 9.94805670551939,
"density_atomic": 0.059187902217244716,
"volume": 675.813781221423,
"volume_molar": 10.174614295158134,
"formula_full": "Ag8 Pd24 Se8",
"formula_reduced": "AgPd3Se",
"formula_anonymous": "ABC3",
"energy": -185.48868004,
"energy_per_atom": -4.637217001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.71268004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2051388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.384000Z",
"spacegroup": 205
}
]
}