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=10372",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=10370",
"results": [
{
"id": "mp-1179274",
"created_at": "2022-09-04T14:42:48.437452Z",
"structure_string": "Tl1 In1 S2\n1.0\n3.026463 3.539064 0.000000\n-3.026463 3.539064 0.000000\n0.000000 3.217216 5.679912\nTl In S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 In\n0.512267 0.512267 0.833023 S\n0.487733 0.487733 0.166977 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tl",
"In",
"S"
],
"chemical_system": "In-S-Tl",
"density": 5.2315212216462,
"density_atomic": 0.0328749123242146,
"volume": 121.67332829823941,
"volume_molar": 18.318347743742226,
"formula_full": "Tl1 In1 S2",
"formula_reduced": "TlInS2",
"formula_anonymous": "ABC2",
"energy": -14.6647146,
"energy_per_atom": -3.66617865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.6587146,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002342,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.365000Z",
"spacegroup": 12
},
{
"id": "mp-976982",
"created_at": "2022-09-04T14:39:11.605964Z",
"structure_string": "Li4 Mg2\n1.0\n1.594923 -7.614148 0.000000\n1.594923 7.614148 0.000000\n0.000000 0.000000 5.009274\nLi Mg\n4 2\ndirect\n0.600757 0.399243 0.750000 Li\n0.263156 0.736844 0.750000 Li\n0.399243 0.600757 0.250000 Li\n0.736844 0.263156 0.250000 Li\n0.932082 0.067918 0.750000 Mg\n0.067918 0.932082 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.0423865906742342,
"density_atomic": 0.0493157261178889,
"volume": 121.66504424282515,
"volume_molar": 12.211400366698678,
"formula_full": "Li4 Mg2",
"formula_reduced": "Li2Mg",
"formula_anonymous": "AB2",
"energy": -10.99260854,
"energy_per_atom": -1.8321014233333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.99260854,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057088,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.921000Z",
"spacegroup": 63
},
{
"id": "mp-1079111",
"created_at": "2022-09-04T14:39:33.343532Z",
"structure_string": "Eu2 Ti2 O6\n1.0\n-2.768896 2.768896 3.967107\n2.768896 -2.768896 3.967107\n2.768896 2.768896 -3.967107\nEu Ti O\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Eu\n0.750000 0.250000 0.500000 Eu\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.713517 0.213517 0.927034 O\n0.286483 0.786483 0.072966 O\n0.213517 0.286483 0.500000 O\n0.786483 0.713517 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Eu",
"Ti",
"O"
],
"chemical_system": "Eu-O-Ti",
"density": 6.76525817299009,
"density_atomic": 0.08219640181537544,
"volume": 121.65982669729743,
"volume_molar": 7.326526012083311,
"formula_full": "Eu2 Ti2 O6",
"formula_reduced": "EuTiO3",
"formula_anonymous": "ABC3",
"energy": -101.64019363,
"energy_per_atom": -10.164019363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.51819362999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9005329,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.351000Z",
"spacegroup": 140
},
{
"id": "mp-1072798",
"created_at": "2022-09-04T14:41:09.680786Z",
"structure_string": "Er2 Al2 Zn2\n1.0\n2.251857 -3.900330 0.000000\n2.251857 3.900330 0.000000\n0.000000 0.000000 6.925684\nEr Al Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Al",
"Zn"
],
"chemical_system": "Al-Er-Zn",
"density": 7.088132367491748,
"density_atomic": 0.04931924518809675,
"volume": 121.65636309146325,
"volume_molar": 12.210529048107674,
"formula_full": "Er2 Al2 Zn2",
"formula_reduced": "ErAlZn",
"formula_anonymous": "ABC",
"energy": -21.84227967,
"energy_per_atom": -3.640379945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.84227967,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003162,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.978000Z",
"spacegroup": 194
},
{
"id": "mp-1079438",
"created_at": "2022-09-04T14:40:15.286335Z",
"structure_string": "Ta6 N3\n1.0\n2.659249 -4.605955 0.000000\n2.659249 4.605955 0.000000\n0.000000 0.000000 4.966065\nTa N\n6 3\ndirect\n0.666634 0.666634 0.753408 Ta\n0.000000 0.333366 0.753408 Ta\n0.333366 0.000000 0.753408 Ta\n0.333366 0.333366 0.246592 Ta\n0.000000 0.666634 0.246592 Ta\n0.666634 0.000000 0.246592 Ta\n0.666667 0.333333 0.500000 N\n0.333333 0.666667 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 15.393041119312274,
"density_atomic": 0.07398120808547085,
"volume": 121.65251464401955,
"volume_molar": 8.140095188824969,
"formula_full": "Ta6 N3",
"formula_reduced": "Ta2N",
"formula_anonymous": "AB2",
"energy": -105.48669681,
"energy_per_atom": -11.72074409,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.40369681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038334,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.663000Z",
"spacegroup": 162
},
{
"id": "mp-1187248",
"created_at": "2022-09-04T14:42:52.650792Z",
"structure_string": "Ta2 Os6\n1.0\n2.805117 -4.858605 0.000000\n2.805117 4.858605 0.000000\n0.000000 0.000000 4.462603\nTa Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.165503 0.331006 0.250000 Os\n0.668994 0.834497 0.250000 Os\n0.165503 0.834497 0.250000 Os\n0.834497 0.668994 0.750000 Os\n0.331006 0.165503 0.750000 Os\n0.834497 0.165503 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Os"
],
"chemical_system": "Os-Ta",
"density": 20.52139738989486,
"density_atomic": 0.06576717166865034,
"volume": 121.64123523976036,
"volume_molar": 9.156758010426366,
"formula_full": "Ta2 Os6",
"formula_reduced": "TaOs3",
"formula_anonymous": "AB3",
"energy": -91.99212938,
"energy_per_atom": -11.4990161725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.99212938,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.831000Z",
"spacegroup": 194
},
{
"id": "mp-1218766",
"created_at": "2022-09-04T14:40:53.151662Z",
"structure_string": "Sr2 Mn1 Ga1 O5 F1\n1.0\n3.882321 0.000000 0.000000\n0.000000 4.020422 0.000000\n0.000000 0.000000 7.793223\nSr Mn Ga O F\n2 1 1 5 1\ndirect\n0.500000 0.500000 0.763754 Sr\n0.500000 0.500000 0.236246 Sr\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.751216 O\n0.000000 0.000000 0.248784 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Ga",
"O",
"F"
],
"chemical_system": "F-Ga-Mn-O-Sr",
"density": 5.445391151720516,
"density_atomic": 0.08220908500997777,
"volume": 121.64105705332074,
"volume_molar": 7.3253956777028835,
"formula_full": "Sr2 Mn1 Ga1 O5 F1",
"formula_reduced": "Sr2MnGaO5F",
"formula_anonymous": "ABCD2E5",
"energy": -68.96999311,
"energy_per_atom": -6.896999311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.40499311000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1435972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.303000Z",
"spacegroup": 47
},
{
"id": "mp-1183657",
"created_at": "2022-09-04T14:46:41.972139Z",
"structure_string": "Cd1 Bi3\n1.0\n-2.536811 2.536811 4.725328\n2.536811 -2.536811 4.725328\n2.536811 2.536811 -4.725328\nCd Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Bi"
],
"chemical_system": "Bi-Cd",
"density": 10.093279310066269,
"density_atomic": 0.032884543391482494,
"volume": 121.63769319771215,
"volume_molar": 18.312982753957925,
"formula_full": "Cd1 Bi3",
"formula_reduced": "CdBi3",
"formula_anonymous": "AB3",
"energy": -12.16165463,
"energy_per_atom": -3.0404136575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.16165463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002399,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.279000Z",
"spacegroup": 139
},
{
"id": "mp-7823",
"created_at": "2022-09-04T14:48:10.446032Z",
"structure_string": "V2 Ni1 Se4\n1.0\n1.697752 6.478059 0.000000\n-1.697752 6.478059 0.000000\n0.000000 2.789165 5.529605\nV Ni Se\n2 1 4\ndirect\n0.254744 0.254744 0.687403 V\n0.745256 0.745256 0.312597 V\n0.000000 0.000000 0.000000 Ni\n0.360610 0.360610 0.977861 Se\n0.639390 0.639390 0.022139 Se\n0.104846 0.104846 0.553455 Se\n0.895154 0.895154 0.446545 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Ni",
"Se"
],
"chemical_system": "Ni-Se-V",
"density": 6.504179913499761,
"density_atomic": 0.05755125324547462,
"volume": 121.6307135857276,
"volume_molar": 10.463961113607084,
"formula_full": "V2 Ni1 Se4",
"formula_reduced": "V2NiSe4",
"formula_anonymous": "AB2C4",
"energy": -43.95436858,
"energy_per_atom": -6.279195511428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.06636858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.522108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.161000Z",
"spacegroup": 12
},
{
"id": "mp-3336",
"created_at": "2022-09-04T14:43:12.002267Z",
"structure_string": "La2 Ga2 O6\n1.0\n4.768630 -2.797412 0.000000\n4.768630 2.797412 0.000000\n3.127589 0.000000 4.558895\nLa Ga O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 La\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.750000 0.180853 0.319147 O\n0.319147 0.750000 0.180853 O\n0.180853 0.319147 0.750000 O\n0.250000 0.819147 0.680853 O\n0.819147 0.680853 0.250000 O\n0.680853 0.250000 0.819147 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Ga",
"O"
],
"chemical_system": "Ga-La-O",
"density": 7.007147123944987,
"density_atomic": 0.08221675931228938,
"volume": 121.62970279595109,
"volume_molar": 7.32471190834183,
"formula_full": "La2 Ga2 O6",
"formula_reduced": "LaGaO3",
"formula_anonymous": "ABC3",
"energy": -76.54005623,
"energy_per_atom": -7.654005623000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.41805623,
"band_gap": 3.3802000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002577,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.180000Z",
"spacegroup": 167
},
{
"id": "mp-1184278",
"created_at": "2022-09-04T14:41:02.891686Z",
"structure_string": "Ga2 Pd6\n1.0\n2.807002 -4.861870 0.000000\n2.807002 4.861870 0.000000\n0.000000 0.000000 4.456150\nGa Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Ga\n0.666667 0.333333 0.250000 Ga\n0.168400 0.336800 0.250000 Pd\n0.663200 0.831600 0.250000 Pd\n0.168400 0.831600 0.250000 Pd\n0.831600 0.663200 0.750000 Pd\n0.336800 0.168400 0.750000 Pd\n0.831600 0.168400 0.750000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Pd"
],
"chemical_system": "Ga-Pd",
"density": 10.621206517836171,
"density_atomic": 0.06577398057348821,
"volume": 121.628642971695,
"volume_molar": 9.15581010529165,
"formula_full": "Ga2 Pd6",
"formula_reduced": "GaPd3",
"formula_anonymous": "AB3",
"energy": -40.77193237,
"energy_per_atom": -5.09649154625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.77193237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.38e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.013000Z",
"spacegroup": 194
},
{
"id": "mp-552120",
"created_at": "2022-09-04T14:40:16.480868Z",
"structure_string": "Y2 Cl2 O2\n1.0\n9.650638 -1.913653 0.000000\n9.650638 1.913653 0.000000\n9.271175 0.000000 3.292751\nY Cl O\n2 2 2\ndirect\n0.716781 0.716781 0.716781 Y\n0.283219 0.283219 0.283219 Y\n0.889326 0.889326 0.889326 Cl\n0.110674 0.110674 0.110674 Cl\n0.363144 0.363144 0.363144 O\n0.636856 0.636856 0.636856 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"Cl",
"O"
],
"chemical_system": "Cl-O-Y",
"density": 3.83273626509135,
"density_atomic": 0.04933363865461384,
"volume": 121.62086891676823,
"volume_molar": 12.206966532838116,
"formula_full": "Y2 Cl2 O2",
"formula_reduced": "YClO",
"formula_anonymous": "ABC",
"energy": -47.657015920000006,
"energy_per_atom": -7.942835986666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.05501592,
"band_gap": 4.270700000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.59e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.480000Z",
"spacegroup": 166
}
]
}