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=-volume&page=11485",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11483",
"results": [
{
"id": "mp-764648",
"created_at": "2022-09-04T14:42:49.060958Z",
"structure_string": "Li2 Ti2 O4\n1.0\n1.438474 -2.491511 0.000000\n1.438474 2.491511 0.000000\n0.000000 0.000000 10.228768\nLi Ti O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.750000 Ti\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.129108 O\n0.666667 0.333333 0.370892 O\n0.333333 0.666667 0.870892 O\n0.333333 0.666667 0.629108 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.932010695397177,
"density_atomic": 0.10911182942207424,
"volume": 73.3192729181895,
"volume_molar": 5.519237274177414,
"formula_full": "Li2 Ti2 O4",
"formula_reduced": "LiTiO2",
"formula_anonymous": "ABC2",
"energy": -63.00035084,
"energy_per_atom": -7.875043855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.25235084,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8734182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.850000Z",
"spacegroup": 194
},
{
"id": "mp-19946",
"created_at": "2022-09-04T14:45:31.514313Z",
"structure_string": "Y1 In1 Cu2\n1.0\n0.000000 3.321918 3.321918\n3.321918 0.000000 3.321918\n3.321918 3.321918 0.000000\nY In Cu\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"In",
"Cu"
],
"chemical_system": "Cu-In-Y",
"density": 7.492705919695037,
"density_atomic": 0.05455860683492888,
"volume": 73.31565507349367,
"volume_molar": 11.037929869104676,
"formula_full": "Y1 In1 Cu2",
"formula_reduced": "YInCu2",
"formula_anonymous": "ABC2",
"energy": -18.7111535,
"energy_per_atom": -4.677788375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.7111535,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001307,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.811000Z",
"spacegroup": 225
},
{
"id": "mp-1017982",
"created_at": "2022-09-04T14:41:09.816531Z",
"structure_string": "Tl2 N2\n1.0\n1.864724 -3.229796 0.000000\n1.864724 3.229796 0.000000\n0.000000 0.000000 6.085808\nTl N\n2 2\ndirect\n0.666667 0.333333 0.499676 Tl\n0.333333 0.666667 0.999676 Tl\n0.666667 0.333333 0.875324 N\n0.333333 0.666667 0.375324 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"N"
],
"chemical_system": "N-Tl",
"density": 9.894046478787867,
"density_atomic": 0.05456599716272139,
"volume": 73.30572532325563,
"volume_molar": 11.036434910263548,
"formula_full": "Tl2 N2",
"formula_reduced": "TlN",
"formula_anonymous": "AB",
"energy": -18.46448082,
"energy_per_atom": -4.616120205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.74248082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.031000Z",
"spacegroup": 186
},
{
"id": "mp-10040",
"created_at": "2022-09-04T14:43:01.586452Z",
"structure_string": "Al1 Pt3 C1\n1.0\n4.185150 0.000000 0.000000\n0.000000 4.185150 0.000000\n0.000000 0.000000 4.185150\nAl Pt C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Al",
"Pt",
"C"
],
"chemical_system": "Al-C-Pt",
"density": 14.140688509233518,
"density_atomic": 0.06820825200271806,
"volume": 73.3049133087409,
"volume_molar": 8.829050126896702,
"formula_full": "Al1 Pt3 C1",
"formula_reduced": "AlPt3C",
"formula_anonymous": "ABC3",
"energy": -30.12851618,
"energy_per_atom": -6.025703236,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.12851618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.808000Z",
"spacegroup": 221
},
{
"id": "mp-1185185",
"created_at": "2022-09-04T14:48:03.587020Z",
"structure_string": "Li3 Cr1\n1.0\n0.000000 3.321665 3.321665\n3.321665 0.000000 3.321665\n3.321665 3.321665 0.000000\nLi Cr\n3 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cr"
],
"chemical_system": "Cr-Li",
"density": 1.649669395900681,
"density_atomic": 0.054571074418723844,
"volume": 73.2989050079535,
"volume_molar": 11.035408087794123,
"formula_full": "Li3 Cr1",
"formula_reduced": "Li3Cr",
"formula_anonymous": "AB3",
"energy": -13.75420721,
"energy_per_atom": -3.4385518025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.75420721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5973228,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.286000Z",
"spacegroup": 225
},
{
"id": "mp-1016871",
"created_at": "2022-09-04T14:43:11.375834Z",
"structure_string": "Zr1 Hg1 O3\n1.0\n4.185010 0.000000 0.000000\n0.000000 4.185010 0.000000\n0.000000 0.000000 4.185010\nZr Hg O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Hg\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": [
"Zr",
"Hg",
"O"
],
"chemical_system": "Hg-O-Zr",
"density": 7.698366167909752,
"density_atomic": 0.06821509748795888,
"volume": 73.29755705300552,
"volume_molar": 8.828164118746601,
"formula_full": "Zr1 Hg1 O3",
"formula_reduced": "ZrHgO3",
"formula_anonymous": "ABC3",
"energy": -34.66326021,
"energy_per_atom": -6.932652041999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.60226021,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0440064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.061000Z",
"spacegroup": 221
},
{
"id": "mp-865334",
"created_at": "2022-09-04T14:45:23.609786Z",
"structure_string": "Lu2 Ni1 Os1\n1.0\n0.000000 3.321562 3.321562\n3.321562 0.000000 3.321562\n3.321562 3.321562 0.000000\nLu Ni Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Ni",
"Os"
],
"chemical_system": "Lu-Ni-Os",
"density": 13.56798741772883,
"density_atomic": 0.0545761512424885,
"volume": 73.29208654211456,
"volume_molar": 11.034381543767887,
"formula_full": "Lu2 Ni1 Os1",
"formula_reduced": "Lu2NiOs",
"formula_anonymous": "ABC2",
"energy": -27.77632308,
"energy_per_atom": -6.94408077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.77632308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.577000Z",
"spacegroup": 225
},
{
"id": "mp-1235563",
"created_at": "2022-09-04T14:41:09.181253Z",
"structure_string": "Li1 Eu1 Tc1 O3\n1.0\n4.207206 0.316071 0.316587\n0.316071 4.207206 0.316587\n0.316563 0.316563 4.208337\nLi Eu Tc O\n1 1 1 3\ndirect\n0.238221 0.238221 0.238423 Li\n0.902611 0.902611 0.902587 Eu\n0.526310 0.526310 0.526146 Tc\n0.521287 0.521287 0.023365 O\n0.521390 0.023517 0.521408 O\n0.023517 0.521390 0.521408 O\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Eu",
"Tc",
"O"
],
"chemical_system": "Eu-Li-O-Tc",
"density": 6.908255019117141,
"density_atomic": 0.08186693510362013,
"volume": 73.28966196677224,
"volume_molar": 7.3560110102786815,
"formula_full": "Li1 Eu1 Tc1 O3",
"formula_reduced": "LiEuTcO3",
"formula_anonymous": "ABCD3",
"energy": -49.24490745,
"energy_per_atom": -8.207484575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.18390745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2726818,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.723000Z",
"spacegroup": 160
},
{
"id": "mp-6980",
"created_at": "2022-09-04T14:47:17.310814Z",
"structure_string": "Sc1 Cu1 S2\n1.0\n1.875544 -3.248538 0.000000\n1.875544 3.248538 0.000000\n0.000000 0.000000 6.014429\nSc Cu S\n1 1 2\ndirect\n0.000000 0.000000 0.002651 Sc\n0.333333 0.666667 0.400131 Cu\n0.666667 0.333333 0.261300 S\n0.333333 0.666667 0.778718 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cu",
"S"
],
"chemical_system": "Cu-S-Sc",
"density": 3.911385050972925,
"density_atomic": 0.05457834783561641,
"volume": 73.28913678456394,
"volume_molar": 11.033937447388446,
"formula_full": "Sc1 Cu1 S2",
"formula_reduced": "ScCuS2",
"formula_anonymous": "ABC2",
"energy": -24.83808382,
"energy_per_atom": -6.209520955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.83208382,
"band_gap": 0.8709000000000007,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.85e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:02.970000Z",
"spacegroup": 156
},
{
"id": "mp-1224811",
"created_at": "2022-09-04T14:39:18.829694Z",
"structure_string": "Ga1 Ni3 Sb1\n1.0\n-2.064604 -3.575439 0.000000\n-2.064604 3.575439 0.000000\n0.000000 0.000000 -4.964123\nGa Ni Sb\n1 3 1\ndirect\n0.666690 0.333310 0.750000 Ga\n0.000005 0.999995 0.504376 Ni\n0.000005 0.999995 0.995624 Ni\n0.666677 0.333323 0.250000 Ni\n0.333324 0.666676 0.250000 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ga",
"Ni",
"Sb"
],
"chemical_system": "Ga-Ni-Sb",
"density": 8.328033325667498,
"density_atomic": 0.0682230823957244,
"volume": 73.2889782229094,
"volume_molar": 8.827130860298702,
"formula_full": "Ga1 Ni3 Sb1",
"formula_reduced": "GaNi3Sb",
"formula_anonymous": "ABC3",
"energy": -25.44799798,
"energy_per_atom": -5.089599596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.25599798,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.476000Z",
"spacegroup": 187
},
{
"id": "mp-1094905",
"created_at": "2022-09-04T14:48:08.163005Z",
"structure_string": "Mg1 Ti3\n1.0\n2.856701 0.000000 0.000000\n0.000000 4.858783 0.000000\n0.000000 0.000000 5.279635\nMg Ti\n1 3\ndirect\n0.000000 0.500000 0.322611 Mg\n0.000000 0.000000 0.984332 Ti\n0.500000 0.000000 0.530178 Ti\n0.500000 0.500000 0.829545 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.8046886577485433,
"density_atomic": 0.0545838043973538,
"volume": 73.28181031283921,
"volume_molar": 11.032834421288435,
"formula_full": "Mg1 Ti3",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy": -24.7238172,
"energy_per_atom": -6.1809543,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.7238172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.284000Z",
"spacegroup": 25
},
{
"id": "mp-1094136",
"created_at": "2022-09-04T14:41:27.079433Z",
"structure_string": "Ni2\n1.0\n1.191025 -2.062916 0.000000\n1.191025 2.062916 0.000000\n0.000000 0.000000 14.912334\nNi\n2\ndirect\n0.000000 0.000000 0.423977 Ni\n0.000000 0.000000 0.576023 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.6600531942402816,
"density_atomic": 0.02729304277881073,
"volume": 73.2787478555789,
"volume_molar": 22.064746715142213,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.08057028,
"energy_per_atom": -5.04028514,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.08057028,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3987403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.253000Z",
"spacegroup": 191
}
]
}