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=-density_atomic&page=11482",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=11480",
"results": [
{
"id": "mp-567928",
"created_at": "2022-09-04T14:41:46.153862Z",
"structure_string": "Cs4 Bi12 Se20\n1.0\n4.220056 0.000000 0.000000\n0.000000 12.581376 0.000000\n0.000000 0.000000 23.225806\nCs Bi Se\n4 12 20\ndirect\n0.250000 0.989554 0.287519 Cs\n0.750000 0.489554 0.212481 Cs\n0.750000 0.010446 0.712481 Cs\n0.250000 0.510446 0.787519 Cs\n0.750000 0.804072 0.121191 Bi\n0.250000 0.407626 0.572749 Bi\n0.250000 0.195928 0.878809 Bi\n0.750000 0.592374 0.427251 Bi\n0.250000 0.092374 0.072749 Bi\n0.250000 0.636442 0.976081 Bi\n0.250000 0.304072 0.378809 Bi\n0.250000 0.863558 0.476081 Bi\n0.750000 0.907626 0.927251 Bi\n0.750000 0.695928 0.621191 Bi\n0.750000 0.363558 0.023919 Bi\n0.750000 0.136442 0.523919 Bi\n0.250000 0.750080 0.696050 Se\n0.750000 0.139483 0.980850 Se\n0.250000 0.305322 0.109166 Se\n0.750000 0.585434 0.061307 Se\n0.250000 0.085434 0.438693 Se\n0.750000 0.914566 0.561307 Se\n0.250000 0.414566 0.938693 Se\n0.250000 0.860517 0.019150 Se\n0.750000 0.360517 0.480850 Se\n0.750000 0.250080 0.803950 Se\n0.250000 0.526291 0.347888 Se\n0.250000 0.973709 0.847888 Se\n0.750000 0.805322 0.390834 Se\n0.750000 0.473709 0.652112 Se\n0.250000 0.194678 0.609166 Se\n0.250000 0.749920 0.196050 Se\n0.750000 0.026291 0.152112 Se\n0.750000 0.249920 0.303950 Se\n0.750000 0.694678 0.890834 Se\n0.250000 0.639483 0.519150 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Cs",
"Bi",
"Se"
],
"chemical_system": "Bi-Cs-Se",
"density": 6.219293314755641,
"density_atomic": 0.029193445240107148,
"volume": 1233.1535282633147,
"volume_molar": 20.62840034970089,
"formula_full": "Cs4 Bi12 Se20",
"formula_reduced": "CsBi3Se5",
"formula_anonymous": "AB3C5",
"energy": -150.63356005999998,
"energy_per_atom": -4.184265557222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.19356006,
"band_gap": 0.9987999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:24.748000Z",
"spacegroup": 62
},
{
"id": "mp-1205521",
"created_at": "2022-09-04T14:43:42.863521Z",
"structure_string": "Ca2 Tl2 Br6\n1.0\n2.159964 -7.256358 0.000000\n2.159964 7.256358 0.000000\n0.000000 0.000000 10.927475\nCa Tl Br\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.254375 0.745625 0.250000 Tl\n0.745625 0.254375 0.750000 Tl\n0.631238 0.368762 0.051563 Br\n0.368762 0.631238 0.948437 Br\n0.368762 0.631238 0.551563 Br\n0.631238 0.368762 0.448437 Br\n0.928311 0.071689 0.250000 Br\n0.071689 0.928311 0.750000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Br"
],
"chemical_system": "Br-Ca-Tl",
"density": 4.694235770088274,
"density_atomic": 0.0291934195647177,
"volume": 342.54294800345014,
"volume_molar": 20.62841849222138,
"formula_full": "Ca2 Tl2 Br6",
"formula_reduced": "CaTlBr3",
"formula_anonymous": "ABC3",
"energy": -37.73300504,
"energy_per_atom": -3.7733005040000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.52900504,
"band_gap": 3.7234,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.543000Z",
"spacegroup": 63
},
{
"id": "mp-1111704",
"created_at": "2022-09-04T14:43:38.293420Z",
"structure_string": "Na3 In1 Br6\n1.0\n0.000000 5.553446 5.553446\n5.553446 0.000000 5.553446\n5.553446 5.553446 0.000000\nNa In Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.757772 0.242228 0.242228 Br\n0.242228 0.242228 0.757772 Br\n0.242228 0.757772 0.757772 Br\n0.242228 0.757772 0.242228 Br\n0.757772 0.242228 0.757772 Br\n0.757772 0.757772 0.242228 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"In",
"Br"
],
"chemical_system": "Br-In-Na",
"density": 3.2150176712193703,
"density_atomic": 0.029193243148580655,
"volume": 342.54501800654475,
"volume_molar": 20.628543150721473,
"formula_full": "Na3 In1 Br6",
"formula_reduced": "Na3InBr6",
"formula_anonymous": "AB3C6",
"energy": -30.98406718,
"energy_per_atom": -3.098406718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.78006718,
"band_gap": 2.04,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.555000Z",
"spacegroup": 225
},
{
"id": "mp-1188133",
"created_at": "2022-09-04T14:40:14.578629Z",
"structure_string": "Tm8 Te12\n1.0\n0.000000 6.086381 13.035028\n4.317841 0.000000 13.035028\n4.317841 6.086381 0.000000\nTm Te\n8 12\ndirect\n0.332620 0.332620 0.167380 Tm\n0.167380 0.167380 0.332620 Tm\n0.917380 0.917380 0.082620 Tm\n0.082620 0.082620 0.917380 Tm\n0.999942 0.999942 0.500058 Tm\n0.500058 0.500058 0.999942 Tm\n0.250058 0.250058 0.749942 Tm\n0.749942 0.749942 0.250058 Tm\n0.997715 0.502285 0.502285 Te\n0.502285 0.997715 0.997715 Te\n0.252285 0.747715 0.747715 Te\n0.747715 0.252285 0.252285 Te\n0.666038 0.168268 0.833308 Te\n0.833308 0.332386 0.666038 Te\n0.332386 0.833308 0.168268 Te\n0.168268 0.666038 0.332386 Te\n0.583962 0.081732 0.416692 Te\n0.416692 0.917614 0.583962 Te\n0.917614 0.416692 0.081732 Te\n0.081732 0.583962 0.917614 Te\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tm",
"Te"
],
"chemical_system": "Te-Tm",
"density": 6.986776248753097,
"density_atomic": 0.029191892467798346,
"volume": 685.1217344700092,
"volume_molar": 20.629497613568695,
"formula_full": "Tm8 Te12",
"formula_reduced": "Tm2Te3",
"formula_anonymous": "A2B3",
"energy": -105.99253115,
"energy_per_atom": -5.2996265575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.92853115,
"band_gap": 0.5788000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000942,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.111000Z",
"spacegroup": 70
},
{
"id": "mp-6987",
"created_at": "2022-09-04T14:42:08.389408Z",
"structure_string": "Sr2 Ga4 Te8\n1.0\n3.402746 -5.918179 0.000000\n3.402746 5.918179 0.000000\n0.000000 0.000000 11.908299\nSr Ga Te\n2 4 8\ndirect\n0.500000 0.500000 0.250000 Sr\n0.500000 0.500000 0.750000 Sr\n0.241614 0.761339 0.500000 Ga\n0.758386 0.238661 0.500000 Ga\n0.238661 0.758386 0.000000 Ga\n0.761339 0.241614 0.000000 Ga\n0.656424 0.809690 0.000000 Te\n0.343576 0.190310 0.000000 Te\n0.809690 0.656424 0.500000 Te\n0.190310 0.343576 0.500000 Te\n0.500000 0.000000 0.673666 Te\n0.000000 0.500000 0.826334 Te\n0.500000 0.000000 0.326334 Te\n0.000000 0.500000 0.173666 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ga",
"Te"
],
"chemical_system": "Ga-Sr-Te",
"density": 5.106504754380688,
"density_atomic": 0.029189770515768727,
"volume": 479.62007760345364,
"volume_molar": 20.630997276072296,
"formula_full": "Sr2 Ga4 Te8",
"formula_reduced": "Sr(GaTe2)2",
"formula_anonymous": "AB2C4",
"energy": -54.4654834,
"energy_per_atom": -3.890391671428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.0894834,
"band_gap": 0.4518999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009911,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.854000Z",
"spacegroup": 66
},
{
"id": "mp-21377",
"created_at": "2022-09-04T14:39:22.614306Z",
"structure_string": "Sm1\n1.0\n0.000000 2.577848 2.577848\n2.577848 0.000000 2.577848\n2.577848 2.577848 0.000000\nSm\n1\ndirect\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.287515653525418,
"density_atomic": 0.02918757985594551,
"volume": 34.26114823275764,
"volume_molar": 20.632545725689173,
"formula_full": "Sm1",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -4.70806701,
"energy_per_atom": -4.70806701,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.70806701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0042529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.877000Z",
"spacegroup": 225
},
{
"id": "mp-1212293",
"created_at": "2022-09-04T14:42:01.262631Z",
"structure_string": "Ho8 Al2\n1.0\n-5.553883 -5.553883 0.000000\n-5.553883 0.000000 -5.553883\n0.000000 -5.553883 -5.553883\nHo Al\n8 2\ndirect\n0.606368 0.606368 0.606368 Ho\n0.180897 0.606368 0.606368 Ho\n0.606368 0.180897 0.606368 Ho\n0.569103 0.143632 0.143632 Ho\n0.143632 0.143632 0.143632 Ho\n0.606368 0.606368 0.180897 Ho\n0.143632 0.569103 0.143632 Ho\n0.143632 0.143632 0.569103 Ho\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ho",
"Al"
],
"chemical_system": "Al-Ho",
"density": 6.656221228698347,
"density_atomic": 0.02918635259463169,
"volume": 342.625888849137,
"volume_molar": 20.633413306696177,
"formula_full": "Ho8 Al2",
"formula_reduced": "Ho4Al",
"formula_anonymous": "AB4",
"energy": -39.01863897,
"energy_per_atom": -3.9018638969999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.01863897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0099936,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.447000Z",
"spacegroup": 227
},
{
"id": "mp-1403285",
"created_at": "2022-09-04T14:41:45.691078Z",
"structure_string": "In2 Cu1 Te3 Br1\n1.0\n6.206398 0.000000 0.000000\n-0.075865 6.224705 0.000000\n-2.948539 -3.142894 6.208325\nIn Cu Te Br\n2 1 3 1\ndirect\n0.984102 0.986759 0.010708 In\n0.248183 0.254653 0.478793 In\n0.521282 0.515158 0.012205 Cu\n0.413911 0.648360 0.252325 Te\n0.825644 0.120382 0.258299 Te\n0.620148 0.849922 0.729504 Te\n0.136729 0.374765 0.758166 Br\n",
"nsites": 7,
"nelements": 4,
"elements": [
"In",
"Cu",
"Te",
"Br"
],
"chemical_system": "Br-Cu-In-Te",
"density": 5.233262974779962,
"density_atomic": 0.029185369745409532,
"volume": 239.8461990052741,
"volume_molar": 20.634108159439037,
"formula_full": "In2 Cu1 Te3 Br1",
"formula_reduced": "In2CuTe3Br",
"formula_anonymous": "ABC2D3",
"energy": -13.62953949,
"energy_per_atom": -1.9470770700000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.82953949,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.023000Z",
"spacegroup": 1
},
{
"id": "mp-1224103",
"created_at": "2022-09-04T14:45:38.596622Z",
"structure_string": "In2 Cu1 Te3 Br1\n1.0\n6.225035 -0.037284 0.016057\n-0.038317 6.206008 -0.058135\n3.108954 3.025887 6.188164\nIn Cu Te Br\n2 1 3 1\ndirect\n0.997467 0.984102 0.989292 In\n0.733446 0.248183 0.521207 In\n0.527363 0.521282 0.987795 Cu\n0.900685 0.413911 0.747675 Te\n0.378682 0.825644 0.741701 Te\n0.579426 0.620148 0.270496 Te\n0.132931 0.136729 0.241834 Br\n",
"nsites": 7,
"nelements": 4,
"elements": [
"In",
"Cu",
"Te",
"Br"
],
"chemical_system": "Br-Cu-In-Te",
"density": 5.233261971577469,
"density_atomic": 0.029185364150652336,
"volume": 239.84624498315674,
"volume_molar": 20.634112114943054,
"formula_full": "In2 Cu1 Te3 Br1",
"formula_reduced": "In2CuTe3Br",
"formula_anonymous": "ABC2D3",
"energy": -24.78897008,
"energy_per_atom": -3.5412814399999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.98897008,
"band_gap": 0.5747000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0019201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.391000Z",
"spacegroup": 1
},
{
"id": "mp-1113410",
"created_at": "2022-09-04T14:41:16.977299Z",
"structure_string": "Cs2 La1 Au1 Cl6\n1.0\n0.000000 5.553950 5.553950\n5.553950 0.000000 5.553950\n5.553950 5.553950 0.000000\nCs La Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Au\n0.750067 0.249933 0.249933 Cl\n0.249933 0.249933 0.750067 Cl\n0.249933 0.750067 0.750067 Cl\n0.249933 0.750067 0.249933 Cl\n0.750067 0.249933 0.750067 Cl\n0.750067 0.750067 0.249933 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"La",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Cs-La",
"density": 3.9468577361646204,
"density_atomic": 0.02918529633987572,
"volume": 342.6382889365098,
"volume_molar": 20.634160057412128,
"formula_full": "Cs2 La1 Au1 Cl6",
"formula_reduced": "Cs2LaAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.05486161,
"energy_per_atom": -4.2054861610000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.37086161,
"band_gap": 2.2750000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.370000Z",
"spacegroup": 225
},
{
"id": "mp-1184385",
"created_at": "2022-09-04T14:41:03.973504Z",
"structure_string": "Eu3 Te1\n1.0\n5.155859 0.000000 0.000000\n0.000000 5.155859 0.000000\n0.000000 0.000000 5.155859\nEu Te\n3 1\ndirect\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Te"
],
"chemical_system": "Eu-Te",
"density": 7.069373174410561,
"density_atomic": 0.02918481168960717,
"volume": 137.05759154938855,
"volume_molar": 20.634502713425107,
"formula_full": "Eu3 Te1",
"formula_reduced": "Eu3Te",
"formula_anonymous": "AB3",
"energy": -36.7564315,
"energy_per_atom": -9.189107875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.3344315,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.8739197,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.996000Z",
"spacegroup": 221
},
{
"id": "mp-866608",
"created_at": "2022-09-04T14:44:05.169862Z",
"structure_string": "Gd2 Tl1 Cd1\n1.0\n0.000000 4.092260 4.092260\n4.092260 0.000000 4.092260\n4.092260 4.092260 0.000000\nGd Tl Cd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Gd\n0.250000 0.250000 0.250000 Gd\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Gd",
"Tl",
"Cd"
],
"chemical_system": "Cd-Gd-Tl",
"density": 7.6482365911389065,
"density_atomic": 0.029183699161255208,
"volume": 137.0628163995903,
"volume_molar": 20.63528933300923,
"formula_full": "Gd2 Tl1 Cd1",
"formula_reduced": "Gd2TlCd",
"formula_anonymous": "ABC2",
"energy": -32.33500655,
"energy_per_atom": -8.0837516375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.33500655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.8404279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.391000Z",
"spacegroup": 225
}
]
}