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=-energy_uncorrected&page=72",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=70",
"results": [
{
"id": "mp-1226724",
"created_at": "2022-09-04T14:43:17.160099Z",
"structure_string": "Cd1 Sb1\n1.0\n3.108627 0.000000 0.000000\n0.000000 3.239193 0.000000\n0.000000 0.000000 5.474133\nCd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Sb"
],
"chemical_system": "Cd-Sb",
"density": 7.054421793456101,
"density_atomic": 0.036283503111218224,
"volume": 55.12146922168701,
"volume_molar": 16.597462327550343,
"formula_full": "Cd1 Sb1",
"formula_reduced": "CdSb",
"formula_anonymous": "AB",
"energy": -5.01803253,
"energy_per_atom": -2.509016265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.82603253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0124263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.003000Z",
"spacegroup": 47
},
{
"id": "mp-1172894",
"created_at": "2022-09-04T14:46:27.249595Z",
"structure_string": "Ca2 Ga4\n1.0\n17.361917 0.000000 0.000000\n-8.680958 15.035861 -0.000000\n0.000000 -0.000000 29.921568\nCa Ga\n2 4\ndirect\n-0.000000 0.000000 0.250000 Ca\n-0.000000 0.000000 0.750000 Ca\n0.666667 0.333333 0.704356 Ga\n0.333333 0.666667 0.204356 Ga\n0.666667 0.333333 0.795644 Ga\n0.333333 0.666667 0.295644 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 0.07632930061378769,
"density_atomic": 0.0007681409603742695,
"volume": 7811.066340058934,
"volume_molar": 783.9890164255487,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy": -4.82832814,
"energy_per_atom": -0.8047213566666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.82832814,
"band_gap": 0.1720999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0008309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.169000Z",
"spacegroup": 194
},
{
"id": "mp-973601",
"created_at": "2022-09-04T14:48:00.571361Z",
"structure_string": "Hg1 I3\n1.0\n-2.257526 2.257526 8.465275\n2.257526 -2.257526 8.465275\n2.257526 2.257526 -8.465275\nHg I\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.750000 0.250000 0.500000 I\n0.250000 0.750000 0.500000 I\n0.500000 0.500000 0.000000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"I"
],
"chemical_system": "Hg-I",
"density": 5.593522432287204,
"density_atomic": 0.023178931252505072,
"volume": 172.5705105392941,
"volume_molar": 25.981097637317315,
"formula_full": "Hg1 I3",
"formula_reduced": "HgI3",
"formula_anonymous": "AB3",
"energy": -5.9667719,
"energy_per_atom": -1.491692975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.8297719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.089000Z",
"spacegroup": 139
},
{
"id": "mp-1095830",
"created_at": "2022-09-04T14:43:11.524180Z",
"structure_string": "Sr2 Li1 Sn1\n1.0\n-6.598649 6.860735 9.294015\n6.598649 -6.860735 9.294015\n6.598649 6.860735 -9.294015\nSr Li Sn\n2 1 1\ndirect\n0.738187 0.000000 0.738187 Sr\n0.261813 0.000000 0.261813 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Li",
"Sn"
],
"chemical_system": "Li-Sn-Sr",
"density": 0.296872016418202,
"density_atomic": 0.002376681351310967,
"volume": 1683.0190541923585,
"volume_molar": 253.3844411527113,
"formula_full": "Sr2 Li1 Sn1",
"formula_reduced": "Sr2LiSn",
"formula_anonymous": "ABC2",
"energy": -4.83011825,
"energy_per_atom": -1.2075295625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.83011825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1205722,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.068000Z",
"spacegroup": 71
},
{
"id": "mp-1093897",
"created_at": "2022-09-04T14:46:24.156179Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.335142 0.000000 -5.966996\n-10.496666 -0.027233 6.246765\n-6.931098 10.057715 0.071021\nLi La Al\n2 1 1\ndirect\n0.766174 1.000000 0.000000 Li\n0.233826 0.000000 1.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Al"
],
"chemical_system": "Al-La-Li",
"density": 0.23313441148492428,
"density_atomic": 0.003123938332599017,
"volume": 1280.4350067538394,
"volume_molar": 192.77399611757932,
"formula_full": "Li2 La1 Al1",
"formula_reduced": "Li2LaAl",
"formula_anonymous": "ABC2",
"energy": -4.835912,
"energy_per_atom": -1.208978,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.835912,
"band_gap": 0.1551,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.087997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.085000Z",
"spacegroup": 71
},
{
"id": "mp-1016226",
"created_at": "2022-09-04T14:46:01.502593Z",
"structure_string": "Rb1 Mg3\n1.0\n3.332475 0.000000 0.000000\n0.000000 5.219822 0.000000\n0.000000 0.000000 7.971050\nRb Mg\n1 3\ndirect\n0.000000 0.000000 0.133379 Rb\n0.500000 0.000000 0.653062 Mg\n0.500000 0.500000 0.439873 Mg\n0.000000 0.500000 0.773686 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.8967888457040059,
"density_atomic": 0.02884840885443343,
"volume": 138.65582743865193,
"volume_molar": 20.875122750745806,
"formula_full": "Rb1 Mg3",
"formula_reduced": "RbMg3",
"formula_anonymous": "AB3",
"energy": -4.8370396,
"energy_per_atom": -1.2092599,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.8370396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.025000Z",
"spacegroup": 25
},
{
"id": "mp-1096139",
"created_at": "2022-09-04T14:40:24.465083Z",
"structure_string": "Li1 Cd2 Ni1\n1.0\n-5.375194 5.915680 8.243327\n5.375194 -5.915680 8.243327\n5.375194 5.915680 -8.243327\nLi Cd Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257434 0.257434 Cd\n0.000000 0.742566 0.742566 Cd\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Cd",
"Ni"
],
"chemical_system": "Cd-Li-Ni",
"density": 0.46001152414694996,
"density_atomic": 0.003815036130162615,
"volume": 1048.482861898742,
"volume_molar": 157.85278447004663,
"formula_full": "Li1 Cd2 Ni1",
"formula_reduced": "LiCd2Ni",
"formula_anonymous": "ABC2",
"energy": -4.84589965,
"energy_per_atom": -1.2114749125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.84589965,
"band_gap": 0.1080999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.879000Z",
"spacegroup": 71
},
{
"id": "mp-1096182",
"created_at": "2022-09-04T14:44:19.181488Z",
"structure_string": "Ca2 Cd1 Au1\n1.0\n-6.292015 6.416382 9.090497\n6.292015 -6.416382 9.090497\n6.292015 6.416382 -9.090497\nCa Cd Au\n2 1 1\ndirect\n0.000000 0.269421 0.269421 Ca\n0.000000 0.730579 0.730579 Ca\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Au"
],
"chemical_system": "Au-Ca-Cd",
"density": 0.44062223311839893,
"density_atomic": 0.002724786074333451,
"volume": 1468.0051537545005,
"volume_molar": 221.0133418078761,
"formula_full": "Ca2 Cd1 Au1",
"formula_reduced": "Ca2CdAu",
"formula_anonymous": "ABC2",
"energy": -4.84864762,
"energy_per_atom": -1.212161905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.84864762,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.994000Z",
"spacegroup": 71
},
{
"id": "mp-1248765",
"created_at": "2022-09-04T14:45:29.851996Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.418208 0.035657 -5.956726\n-10.191313 0.001509 5.555991\n-6.889595 9.340175 -0.162750\nLi La Al\n2 1 1\ndirect\n0.769092 0.003596 0.003596 Li\n0.230908 0.996404 0.996404 Li\n0.500000 -0.000000 -0.000000 La\n0.000000 -0.000000 -0.000000 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"La",
"Al"
],
"chemical_system": "Al-La-Li",
"density": 0.26986194466553454,
"density_atomic": 0.0036160773867777696,
"volume": 1106.1710168665218,
"volume_molar": 166.5379392050632,
"formula_full": "Li2 La1 Al1",
"formula_reduced": "Li2LaAl",
"formula_anonymous": "ABC2",
"energy": -4.86073925,
"energy_per_atom": -1.2151848125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.86073925,
"band_gap": 0.125,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.034000Z",
"spacegroup": 12
},
{
"id": "mp-1095772",
"created_at": "2022-09-04T14:47:23.746633Z",
"structure_string": "Li2 Tl1 In1\n1.0\n-5.813652 5.937374 8.314122\n5.813652 -5.937374 8.314122\n5.813652 5.937374 -8.314122\nLi Tl In\n2 1 1\ndirect\n0.000000 0.249556 0.249556 Li\n0.000000 0.750444 0.750444 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Tl",
"In"
],
"chemical_system": "In-Li-Tl",
"density": 0.4818170162353395,
"density_atomic": 0.003484497593647163,
"volume": 1147.9416737990252,
"volume_molar": 172.82665859719336,
"formula_full": "Li2 Tl1 In1",
"formula_reduced": "Li2TlIn",
"formula_anonymous": "ABC2",
"energy": -4.86685479,
"energy_per_atom": -1.2167136975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.86685479,
"band_gap": 0.0665,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.679000Z",
"spacegroup": 71
},
{
"id": "mp-1095976",
"created_at": "2022-09-04T14:46:29.467534Z",
"structure_string": "Mg2 Ga1 Cu1\n1.0\n-5.246919 5.264858 7.174421\n5.246919 -5.264858 7.174421\n5.246919 5.264858 -7.174421\nMg Ga Cu\n2 1 1\ndirect\n0.000000 0.239444 0.239444 Mg\n0.000000 0.760556 0.760556 Mg\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Mg",
"density": 0.380972637080476,
"density_atomic": 0.005045708074048951,
"volume": 792.752957820285,
"volume_molar": 119.35174749750247,
"formula_full": "Mg2 Ga1 Cu1",
"formula_reduced": "Mg2GaCu",
"formula_anonymous": "ABC2",
"energy": -4.87150231,
"energy_per_atom": -1.2178755775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.87150231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7452612,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.829000Z",
"spacegroup": 71
},
{
"id": "mp-11576",
"created_at": "2022-09-04T14:47:22.818938Z",
"structure_string": "Yb1 Tl1\n1.0\n3.859875 0.000000 0.000000\n0.000000 3.859875 0.000000\n0.000000 0.000000 3.859875\nYb Tl\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Tl"
],
"chemical_system": "Tl-Yb",
"density": 10.898283057935288,
"density_atomic": 0.03477845413353664,
"volume": 57.50686883093555,
"volume_molar": 17.31572293833753,
"formula_full": "Yb1 Tl1",
"formula_reduced": "YbTl",
"formula_anonymous": "AB",
"energy": -4.8749214,
"energy_per_atom": -2.4374607,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.8749214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013793,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.426000Z",
"spacegroup": 221
}
]
}