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=4",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=2",
"results": [
{
"id": "mp-1183093",
"created_at": "2022-09-04T14:41:34.573510Z",
"structure_string": "Ac2 Ir1 Rh1\n1.0\n0.000000 3.718607 3.718607\n3.718607 0.000000 3.718607\n3.718607 3.718607 0.000000\nAc Ir Rh\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Ir",
"Rh"
],
"chemical_system": "Ac-Ir-Rh",
"density": 12.095702475250162,
"density_atomic": 0.03889458555694671,
"volume": 102.84207795821558,
"volume_molar": 15.483236737881693,
"formula_full": "Ac2 Ir1 Rh1",
"formula_reduced": "Ac2IrRh",
"formula_anonymous": "ABC2",
"energy": -26.43812791,
"energy_per_atom": -6.6095319775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.43812791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.624000Z",
"spacegroup": 225
},
{
"id": "mp-1183085",
"created_at": "2022-09-04T14:45:09.345853Z",
"structure_string": "Ac4 Mg2\n1.0\n2.045923 -9.364848 0.000000\n2.045923 9.364848 0.000000\n0.000000 0.000000 6.074561\nAc Mg\n4 2\ndirect\n0.227908 0.772092 0.250000 Ac\n0.916686 0.083314 0.250000 Ac\n0.772092 0.227908 0.750000 Ac\n0.083314 0.916686 0.750000 Ac\n0.570510 0.429490 0.250000 Mg\n0.429490 0.570510 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.824158468278523,
"density_atomic": 0.0257760484703617,
"volume": 232.77423639620451,
"volume_molar": 23.363320281324313,
"formula_full": "Ac4 Mg2",
"formula_reduced": "Ac2Mg",
"formula_anonymous": "AB2",
"energy": -19.78691591,
"energy_per_atom": -3.2978193183333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.78691591,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.342000Z",
"spacegroup": 63
},
{
"id": "mp-985286",
"created_at": "2022-09-04T14:41:23.027064Z",
"structure_string": "Ac2 Mg1\n1.0\n-2.052366 2.052366 6.877906\n2.052366 -2.052366 6.877906\n2.052366 2.052366 -6.877906\nAc Mg\n2 1\ndirect\n0.848184 0.848184 0.000000 Ac\n0.151816 0.151816 0.000000 Ac\n0.500000 0.500000 0.000000 Mg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.853748567063939,
"density_atomic": 0.02588781548516376,
"volume": 115.88463312863506,
"volume_molar": 23.262452420719985,
"formula_full": "Ac2 Mg1",
"formula_reduced": "Ac2Mg",
"formula_anonymous": "AB2",
"energy": -9.89381623,
"energy_per_atom": -3.2979387433333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.89381623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0053445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.016000Z",
"spacegroup": 139
},
{
"id": "mp-1183089",
"created_at": "2022-09-04T14:44:19.313932Z",
"structure_string": "Ac4 Mg2\n1.0\n2.036575 7.280329 0.000000\n-2.036575 7.280329 0.000000\n0.000000 2.276016 7.840958\nAc Mg\n4 2\ndirect\n0.851343 0.851343 0.570096 Ac\n0.148657 0.148657 0.429904 Ac\n0.843076 0.843076 0.082161 Ac\n0.156924 0.156924 0.917839 Ac\n0.496994 0.496994 0.762259 Mg\n0.503006 0.503006 0.237741 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ac",
"Mg"
],
"chemical_system": "Ac-Mg",
"density": 6.831773774460174,
"density_atomic": 0.025804812823089926,
"volume": 232.51476540962355,
"volume_molar": 23.337277434585534,
"formula_full": "Ac4 Mg2",
"formula_reduced": "Ac2Mg",
"formula_anonymous": "AB2",
"energy": -19.86414497,
"energy_per_atom": -3.3106908283333336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.86414497,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0585675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.121000Z",
"spacegroup": 12
},
{
"id": "mp-1183074",
"created_at": "2022-09-04T14:46:29.037463Z",
"structure_string": "Ac2 Mg1 Ga1\n1.0\n0.000000 4.010121 4.010121\n4.010121 0.000000 4.010121\n4.010121 4.010121 0.000000\nAc Mg Ga\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Ga"
],
"chemical_system": "Ac-Ga-Mg",
"density": 7.055851286179444,
"density_atomic": 0.031013984425382463,
"volume": 128.974076504866,
"volume_molar": 19.417501077582795,
"formula_full": "Ac2 Mg1 Ga1",
"formula_reduced": "Ac2MgGa",
"formula_anonymous": "ABC2",
"energy": -13.81627708,
"energy_per_atom": -3.45406927,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.81627708,
"band_gap": 0.2016,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026135,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.766000Z",
"spacegroup": 225
},
{
"id": "mp-1183078",
"created_at": "2022-09-04T14:45:26.256160Z",
"structure_string": "Ac2 Mg1 Pb1\n1.0\n0.000000 4.150328 4.150328\n4.150328 0.000000 4.150328\n4.150328 4.150328 0.000000\nAc Mg Pb\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Pb"
],
"chemical_system": "Ac-Mg-Pb",
"density": 7.961272103918043,
"density_atomic": 0.0279758141837181,
"volume": 142.98064655891218,
"volume_molar": 21.52623948833947,
"formula_full": "Ac2 Mg1 Pb1",
"formula_reduced": "Ac2MgPb",
"formula_anonymous": "ABC2",
"energy": -14.65531246,
"energy_per_atom": -3.663828115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.65531246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.195000Z",
"spacegroup": 225
},
{
"id": "mp-866103",
"created_at": "2022-09-04T14:46:37.892339Z",
"structure_string": "Ac2 Mg1 Sn1\n1.0\n0.000000 4.093281 4.093281\n4.093281 0.000000 4.093281\n4.093281 4.093281 0.000000\nAc Mg Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Sn"
],
"chemical_system": "Ac-Mg-Sn",
"density": 7.227526054794336,
"density_atomic": 0.029161866461365517,
"volume": 137.16543161938264,
"volume_molar": 20.65073841545193,
"formula_full": "Ac2 Mg1 Sn1",
"formula_reduced": "Ac2MgSn",
"formula_anonymous": "ABC2",
"energy": -15.26206194,
"energy_per_atom": -3.815515485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.26206194,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.752000Z",
"spacegroup": 225
},
{
"id": "mp-1183079",
"created_at": "2022-09-04T14:41:57.407159Z",
"structure_string": "Ac2 Mg1 Tl1\n1.0\n0.000000 4.130333 4.130333\n4.130333 0.000000 4.130333\n4.130333 4.130333 0.000000\nAc Mg Tl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Mg",
"Tl"
],
"chemical_system": "Ac-Mg-Tl",
"density": 8.044264834978934,
"density_atomic": 0.02838407815906757,
"volume": 140.92407643410328,
"volume_molar": 21.216615618979223,
"formula_full": "Ac2 Mg1 Tl1",
"formula_reduced": "Ac2MgTl",
"formula_anonymous": "ABC2",
"energy": -13.04127332,
"energy_per_atom": -3.26031833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.04127332,
"band_gap": 0.2200000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.053361,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.678000Z",
"spacegroup": 225
},
{
"id": "mp-983587",
"created_at": "2022-09-04T14:45:32.861669Z",
"structure_string": "Ac2 Ni1 Ge1\n1.0\n0.000000 3.807875 3.807875\n3.807875 0.000000 3.807875\n3.807875 3.807875 0.000000\nAc Ni Ge\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Ni",
"Ge"
],
"chemical_system": "Ac-Ge-Ni",
"density": 8.801857996374762,
"density_atomic": 0.03622279393044588,
"volume": 110.4277049329961,
"volume_molar": 16.62527957275622,
"formula_full": "Ac2 Ni1 Ge1",
"formula_reduced": "Ac2NiGe",
"formula_anonymous": "ABC2",
"energy": -19.99905367,
"energy_per_atom": -4.9997634175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.99905367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001547,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.810000Z",
"spacegroup": 225
},
{
"id": "mp-862849",
"created_at": "2022-09-04T14:47:26.732344Z",
"structure_string": "Ac2 Ni1 Ir1\n1.0\n0.000000 3.695910 3.695910\n3.695910 0.000000 3.695910\n3.695910 3.695910 0.000000\nAc Ni Ir\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ac\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Ni",
"Ir"
],
"chemical_system": "Ac-Ir-Ni",
"density": 11.592813752480673,
"density_atomic": 0.039615563195565556,
"volume": 100.97041862698414,
"volume_molar": 15.201451839195611,
"formula_full": "Ac2 Ni1 Ir1",
"formula_reduced": "Ac2NiIr",
"formula_anonymous": "ABC2",
"energy": -24.18691978,
"energy_per_atom": -6.046729945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.18691978,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007817,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.339000Z",
"spacegroup": 225
},
{
"id": "mp-11107",
"created_at": "2022-09-04T14:41:15.966599Z",
"structure_string": "Ac2 O3\n1.0\n2.050283 -3.551194 0.000000\n2.050283 3.551194 0.000000\n0.000000 0.000000 6.378450\nAc O\n2 3\ndirect\n0.666667 0.333333 0.753360 Ac\n0.333333 0.666667 0.246640 Ac\n0.666667 0.333333 0.356273 O\n0.333333 0.666667 0.643727 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ac",
"O"
],
"chemical_system": "Ac-O",
"density": 8.97465778223645,
"density_atomic": 0.05383152016893158,
"volume": 92.88238534429702,
"volume_molar": 11.187015973358356,
"formula_full": "Ac2 O3",
"formula_reduced": "Ac2O3",
"formula_anonymous": "A2B3",
"energy": -41.77457448,
"energy_per_atom": -8.354914896,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.71357448,
"band_gap": 3.5226,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.191000Z",
"spacegroup": 164
},
{
"id": "mp-977351",
"created_at": "2022-09-04T14:40:13.843468Z",
"structure_string": "Ac4 S6\n1.0\n6.902037 -3.808875 0.000000\n6.902037 3.808875 0.000000\n4.800117 0.000000 6.253360\nAc S\n4 6\ndirect\n0.356531 0.356531 0.356531 Ac\n0.143469 0.143469 0.143469 Ac\n0.856531 0.856531 0.856531 Ac\n0.643469 0.643469 0.643469 Ac\n0.039133 0.460867 0.750000 S\n0.460867 0.750000 0.039133 S\n0.750000 0.039133 0.460867 S\n0.250000 0.960867 0.539133 S\n0.539133 0.250000 0.960867 S\n0.960867 0.539133 0.250000 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ac",
"S"
],
"chemical_system": "Ac-S",
"density": 5.557485038624526,
"density_atomic": 0.030414632253797966,
"volume": 328.7891142840062,
"volume_molar": 19.80014326574012,
"formula_full": "Ac4 S6",
"formula_reduced": "Ac2S3",
"formula_anonymous": "A2B3",
"energy": -65.5410188,
"energy_per_atom": -6.55410188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.5230188,
"band_gap": 3.0275000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.763000Z",
"spacegroup": 167
}
]
}