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=86",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=84",
"results": [
{
"id": "mp-984756",
"created_at": "2022-09-04T14:43:18.662517Z",
"structure_string": "Cs1 Mg1 O3\n1.0\n4.292401 0.000000 0.000000\n0.000000 4.292401 0.000000\n0.000000 0.000000 4.292401\nCs Mg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"O"
],
"chemical_system": "Cs-Mg-O",
"density": 4.308676645275569,
"density_atomic": 0.06322213273148293,
"volume": 79.08622793913015,
"volume_molar": 9.52536793653773,
"formula_full": "Cs1 Mg1 O3",
"formula_reduced": "CsMgO3",
"formula_anonymous": "ABC3",
"energy": -23.98425152,
"energy_per_atom": -4.796850304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.92325152,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.100000Z",
"spacegroup": 221
},
{
"id": "mp-984755",
"created_at": "2022-09-04T14:44:03.336047Z",
"structure_string": "Nb8 Ag4 O22\n1.0\n12.867682 -3.130831 0.000000\n12.867682 3.130831 0.000000\n12.105920 0.000000 5.368988\nNb Ag O\n8 4 22\ndirect\n0.003937 0.003937 0.003937 Nb\n0.503937 0.503937 0.503937 Nb\n0.885072 0.621984 0.247391 Nb\n0.621984 0.247391 0.885072 Nb\n0.247391 0.885072 0.621984 Nb\n0.121984 0.385072 0.747391 Nb\n0.747391 0.121984 0.385072 Nb\n0.385072 0.747391 0.121984 Nb\n0.328617 0.328617 0.328617 Ag\n0.828617 0.828617 0.828617 Ag\n0.173909 0.173909 0.173909 Ag\n0.673909 0.673909 0.673909 Ag\n0.947396 0.716988 0.235957 O\n0.716988 0.235957 0.947396 O\n0.235957 0.947396 0.716988 O\n0.216988 0.447396 0.735957 O\n0.735957 0.216988 0.447396 O\n0.447396 0.735957 0.216988 O\n0.092980 0.092980 0.092980 O\n0.592980 0.592980 0.592980 O\n0.403161 0.403161 0.403161 O\n0.903161 0.903161 0.903161 O\n0.502583 0.991525 0.251176 O\n0.991525 0.251176 0.502583 O\n0.251176 0.502583 0.991525 O\n0.491525 0.002583 0.751176 O\n0.751176 0.491525 0.002583 O\n0.002583 0.751176 0.491525 O\n0.546579 0.255104 0.784940 O\n0.255104 0.784940 0.546579 O\n0.784940 0.546579 0.255104 O\n0.755104 0.046579 0.284940 O\n0.284940 0.755104 0.046579 O\n0.046579 0.284940 0.755104 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Nb",
"Ag",
"O"
],
"chemical_system": "Ag-Nb-O",
"density": 5.860348671139445,
"density_atomic": 0.07859529405154411,
"volume": 432.5958749858768,
"volume_molar": 7.662215445177392,
"formula_full": "Nb8 Ag4 O22",
"formula_reduced": "Nb4Ag2O11",
"formula_anonymous": "A2B4C11",
"energy": -286.87891652,
"energy_per_atom": -8.437615191764706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.76491652,
"band_gap": 2.3723,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0049388,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.268000Z",
"spacegroup": 161
},
{
"id": "mp-984754",
"created_at": "2022-09-04T14:39:19.310008Z",
"structure_string": "Pm2 Ho6\n1.0\n3.628958 -6.285540 0.000000\n3.628958 6.285540 0.000000\n0.000000 0.000000 5.692979\nPm Ho\n2 6\ndirect\n0.333333 0.666667 0.750000 Pm\n0.666667 0.333333 0.250000 Pm\n0.165455 0.330911 0.250000 Ho\n0.669089 0.834545 0.250000 Ho\n0.165455 0.834545 0.250000 Ho\n0.834545 0.669089 0.750000 Ho\n0.330911 0.165455 0.750000 Ho\n0.834545 0.165455 0.750000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Ho"
],
"chemical_system": "Ho-Pm",
"density": 8.181314327268163,
"density_atomic": 0.030803202657092816,
"volume": 259.7132541397575,
"volume_molar": 19.550372170840905,
"formula_full": "Pm2 Ho6",
"formula_reduced": "PmHo3",
"formula_anonymous": "AB3",
"energy": -36.85351352,
"energy_per_atom": -4.60668919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.85351352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0088598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.914000Z",
"spacegroup": 194
},
{
"id": "mp-984745",
"created_at": "2022-09-04T14:45:13.809550Z",
"structure_string": "Cs1 Sn1 O3\n1.0\n4.274027 0.000000 0.000000\n0.000000 4.274027 0.000000\n0.000000 0.000000 4.274027\nCs Sn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Sn",
"O"
],
"chemical_system": "Cs-O-Sn",
"density": 6.372339584282168,
"density_atomic": 0.06404101701803783,
"volume": 78.07496246650327,
"volume_molar": 9.403568276099989,
"formula_full": "Cs1 Sn1 O3",
"formula_reduced": "CsSnO3",
"formula_anonymous": "ABC3",
"energy": -27.40169907,
"energy_per_atom": -5.480339814,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.34069907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.262000Z",
"spacegroup": 221
},
{
"id": "mp-984744",
"created_at": "2022-09-04T14:45:02.965466Z",
"structure_string": "Ca6 Tl2\n1.0\n3.685446 -6.383380 0.000000\n3.685446 6.383380 0.000000\n0.000000 0.000000 5.683368\nCa Tl\n6 2\ndirect\n0.174359 0.348719 0.250000 Ca\n0.651281 0.825641 0.250000 Ca\n0.174359 0.825641 0.250000 Ca\n0.825641 0.651281 0.750000 Ca\n0.348719 0.174359 0.750000 Ca\n0.825641 0.174359 0.750000 Ca\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Tl"
],
"chemical_system": "Ca-Tl",
"density": 4.0315702355438585,
"density_atomic": 0.029916684601420395,
"volume": 267.40931044278125,
"volume_molar": 20.12970635026208,
"formula_full": "Ca6 Tl2",
"formula_reduced": "Ca3Tl",
"formula_anonymous": "AB3",
"energy": -18.47598016,
"energy_per_atom": -2.30949752,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.47598016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.147000Z",
"spacegroup": 194
},
{
"id": "mp-984743",
"created_at": "2022-09-04T14:46:18.091552Z",
"structure_string": "Er4 Ge10 Rh6\n1.0\n6.085440 5.713691 0.000000\n-6.085440 5.713691 0.000000\n0.000000 2.792441 5.179121\nEr Ge Rh\n4 10 6\ndirect\n0.868537 0.590892 0.266150 Er\n0.409108 0.131463 0.233850 Er\n0.131463 0.409108 0.733850 Er\n0.590892 0.868537 0.766150 Er\n0.264310 0.074447 0.832008 Ge\n0.208314 0.791686 0.250000 Ge\n0.791686 0.208314 0.750000 Ge\n0.510598 0.489402 0.250000 Ge\n0.489402 0.510598 0.750000 Ge\n0.778865 0.221135 0.250000 Ge\n0.221135 0.778865 0.750000 Ge\n0.074447 0.264310 0.332008 Ge\n0.735690 0.925553 0.167992 Ge\n0.925553 0.735690 0.667992 Ge\n0.001126 0.998874 0.250000 Rh\n0.998874 0.001126 0.750000 Rh\n0.257696 0.543644 0.121455 Rh\n0.456356 0.742304 0.378545 Rh\n0.742304 0.456356 0.878545 Rh\n0.543644 0.257696 0.621455 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Ge",
"Rh"
],
"chemical_system": "Er-Ge-Rh",
"density": 9.280466791616751,
"density_atomic": 0.055530963373111177,
"volume": 360.15942791448606,
"volume_molar": 10.844653854710543,
"formula_full": "Er4 Ge10 Rh6",
"formula_reduced": "Er2Ge5Rh3",
"formula_anonymous": "A2B3C5",
"energy": -123.88847113,
"energy_per_atom": -6.1944235565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.88847113,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003604,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.574000Z",
"spacegroup": 15
},
{
"id": "mp-984729",
"created_at": "2022-09-04T14:40:37.497794Z",
"structure_string": "Ba1 Sr3 O4\n1.0\n5.327695 0.000000 0.000000\n0.000000 5.327695 0.000000\n0.000000 0.000000 5.327695\nBa Sr O\n1 3 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"O"
],
"chemical_system": "Ba-O-Sr",
"density": 5.097083665801495,
"density_atomic": 0.05290197962028221,
"volume": 151.22307439952326,
"volume_molar": 11.383583002423519,
"formula_full": "Ba1 Sr3 O4",
"formula_reduced": "BaSr3O4",
"formula_anonymous": "AB3C4",
"energy": -50.53510135,
"energy_per_atom": -6.31688766875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.78710135,
"band_gap": 2.5199,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.765000Z",
"spacegroup": 221
},
{
"id": "mp-984728",
"created_at": "2022-09-04T14:41:33.521110Z",
"structure_string": "B2 C2\n1.0\n1.295834 -2.244451 0.000000\n1.295834 2.244451 0.000000\n0.000000 0.000000 4.657464\nB C\n2 2\ndirect\n0.666667 0.333333 0.519483 B\n0.333333 0.666667 0.019483 B\n0.666667 0.333333 0.855518 C\n0.333333 0.666667 0.355518 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 2.7976158746225206,
"density_atomic": 0.14764576341998636,
"volume": 27.09187116071718,
"volume_molar": 4.078776539540586,
"formula_full": "B2 C2",
"formula_reduced": "BC",
"formula_anonymous": "AB",
"energy": -29.81644403,
"energy_per_atom": -7.4541110075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.81644403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.520000Z",
"spacegroup": 186
},
{
"id": "mp-984727",
"created_at": "2022-09-04T14:45:26.639912Z",
"structure_string": "Ce3 Br1\n1.0\n4.574962 0.000000 0.000000\n0.000000 4.574962 0.000000\n0.000000 0.000000 4.574962\nCe Br\n3 1\ndirect\n0.500000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 Ce\n0.000000 0.000000 0.500000 Ce\n0.500000 0.500000 0.500000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Br"
],
"chemical_system": "Br-Ce",
"density": 8.675119335383796,
"density_atomic": 0.04177317813064844,
"volume": 95.75522330356885,
"volume_molar": 14.416285830983096,
"formula_full": "Ce3 Br1",
"formula_reduced": "Ce3Br",
"formula_anonymous": "AB3",
"energy": -20.86621097,
"energy_per_atom": -5.2165527425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.33221097,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0911024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.578000Z",
"spacegroup": 221
},
{
"id": "mp-984726",
"created_at": "2022-09-04T14:46:24.750241Z",
"structure_string": "Dy1 Al8 Cu4\n1.0\n-4.404336 4.404336 2.570416\n4.404336 -4.404336 2.570416\n4.404336 4.404336 -2.570416\nDy Al Cu\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.718780 0.218780 Al\n0.281220 0.500000 0.781220 Al\n0.651981 0.000000 0.651981 Al\n0.000000 0.348019 0.348019 Al\n0.000000 0.651981 0.651981 Al\n0.348019 0.000000 0.348019 Al\n0.718780 0.500000 0.218780 Al\n0.500000 0.281220 0.781220 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Dy",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Dy",
"density": 5.2663566075676105,
"density_atomic": 0.06518070576933595,
"volume": 199.44552374141074,
"volume_molar": 9.239146291713057,
"formula_full": "Dy1 Al8 Cu4",
"formula_reduced": "Dy(Al2Cu)4",
"formula_anonymous": "AB4C8",
"energy": -55.005686610000005,
"energy_per_atom": -4.2312066623076925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.005686610000005,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0540779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.052000Z",
"spacegroup": 139
},
{
"id": "mp-984725",
"created_at": "2022-09-04T14:42:44.100125Z",
"structure_string": "Ba2 Tl6\n1.0\n3.897468 -6.750613 0.000000\n3.897468 6.750613 0.000000\n0.000000 0.000000 5.268888\nBa Tl\n2 6\ndirect\n0.333333 0.666667 0.750000 Ba\n0.666667 0.333333 0.250000 Ba\n0.149882 0.299763 0.250000 Tl\n0.700237 0.850118 0.250000 Tl\n0.149882 0.850118 0.250000 Tl\n0.850118 0.700237 0.750000 Tl\n0.299763 0.149882 0.750000 Tl\n0.850118 0.149882 0.750000 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"Tl"
],
"chemical_system": "Ba-Tl",
"density": 8.989627367793576,
"density_atomic": 0.02885461306404486,
"volume": 277.2520283756165,
"volume_molar": 20.87063426091846,
"formula_full": "Ba2 Tl6",
"formula_reduced": "BaTl3",
"formula_anonymous": "AB3",
"energy": -20.3827449,
"energy_per_atom": -2.5478431125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.3827449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014637,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.757000Z",
"spacegroup": 194
},
{
"id": "mp-984724",
"created_at": "2022-09-04T14:40:39.893974Z",
"structure_string": "Ba2 Tl1 Zn1\n1.0\n0.000000 4.223596 4.223596\n4.223596 0.000000 4.223596\n4.223596 4.223596 0.000000\nBa Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Tl",
"Zn"
],
"chemical_system": "Ba-Tl-Zn",
"density": 5.9996655694923895,
"density_atomic": 0.026545009551828914,
"volume": 150.6874575497904,
"volume_molar": 22.686527003284063,
"formula_full": "Ba2 Tl1 Zn1",
"formula_reduced": "Ba2TlZn",
"formula_anonymous": "ABC2",
"energy": -8.63713317,
"energy_per_atom": -2.1592832925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.63713317,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0316772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.545000Z",
"spacegroup": 225
}
]
}