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=11506",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=id&page=11504",
"results": [
{
"id": "mp-8447",
"created_at": "2022-09-04T14:45:06.603798Z",
"structure_string": "K10 Ti6 F28\n1.0\n7.937401 0.000000 0.000000\n0.000000 7.937401 0.000000\n0.000000 0.000000 11.819553\nK Ti F\n10 6 28\ndirect\n0.270201 0.770201 0.750000 K\n0.229799 0.270201 0.750000 K\n0.770201 0.729799 0.750000 K\n0.729799 0.229799 0.750000 K\n0.729799 0.229799 0.250000 K\n0.770201 0.729799 0.250000 K\n0.229799 0.270201 0.250000 K\n0.270201 0.770201 0.250000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.025762 0.679492 0.614087 F\n0.974238 0.320508 0.614087 F\n0.179492 0.525762 0.885913 F\n0.679492 0.974238 0.614087 F\n0.320508 0.025762 0.614087 F\n0.474238 0.179492 0.885913 F\n0.525762 0.820508 0.885913 F\n0.820508 0.474238 0.885913 F\n0.974238 0.320508 0.385913 F\n0.025762 0.679492 0.385913 F\n0.820508 0.474238 0.114087 F\n0.320508 0.025762 0.385913 F\n0.679492 0.974238 0.385913 F\n0.525762 0.820508 0.114087 F\n0.474238 0.179492 0.114087 F\n0.179492 0.525762 0.114087 F\n0.000000 0.000000 0.167937 F\n0.500000 0.500000 0.332063 F\n0.000000 0.000000 0.832063 F\n0.500000 0.500000 0.667937 F\n0.040271 0.249566 0.000000 F\n0.750434 0.040271 0.000000 F\n0.249566 0.959729 0.000000 F\n0.540271 0.250434 0.500000 F\n0.459729 0.749566 0.500000 F\n0.959729 0.750434 0.000000 F\n0.749566 0.540271 0.500000 F\n0.250434 0.459729 0.500000 F\n",
"nsites": 44,
"nelements": 3,
"elements": [
"K",
"Ti",
"F"
],
"chemical_system": "F-K-Ti",
"density": 2.69852920271886,
"density_atomic": 0.05908741369549547,
"volume": 744.6594333397662,
"volume_molar": 10.191918013258887,
"formula_full": "K10 Ti6 F28",
"formula_reduced": "K5Ti3F14",
"formula_anonymous": "A3B5C14",
"energy": -263.04889466,
"energy_per_atom": -5.978383969545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -250.11289466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9991296,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.818000Z",
"spacegroup": 128
},
{
"id": "mp-8449",
"created_at": "2022-09-04T14:43:23.215139Z",
"structure_string": "Rb4 Li4 Si2 O8\n1.0\n5.520191 0.000000 0.000000\n0.427100 5.688727 0.000000\n2.231790 0.808686 8.525763\nRb Li Si O\n4 4 2 8\ndirect\n0.476749 0.850540 0.731295 Rb\n0.523251 0.149460 0.268705 Rb\n0.792135 0.728439 0.017948 Rb\n0.207865 0.271561 0.982052 Rb\n0.932093 0.188489 0.438174 Li\n0.067907 0.811511 0.561826 Li\n0.697033 0.593386 0.418425 Li\n0.302967 0.406614 0.581575 Li\n0.145630 0.687532 0.281510 Si\n0.854370 0.312468 0.718490 Si\n0.998603 0.557789 0.720009 O\n0.001397 0.442211 0.279991 O\n0.918435 0.867086 0.380851 O\n0.081565 0.132914 0.619149 O\n0.270772 0.797354 0.102443 O\n0.729228 0.202646 0.897557 O\n0.356602 0.641155 0.390376 O\n0.643398 0.358845 0.609624 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Si",
"O"
],
"chemical_system": "Li-O-Rb-Si",
"density": 3.4347939837132393,
"density_atomic": 0.06723107443499947,
"volume": 267.73333835982066,
"volume_molar": 8.957376943041933,
"formula_full": "Rb4 Li4 Si2 O8",
"formula_reduced": "Rb2Li2SiO4",
"formula_anonymous": "AB2C2D4",
"energy": -106.95472991,
"energy_per_atom": -5.941929439444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.45872991,
"band_gap": 3.8701,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.615000Z",
"spacegroup": 2
},
{
"id": "mp-845",
"created_at": "2022-09-04T14:39:47.951699Z",
"structure_string": "Cu20 Sn16\n1.0\n7.324598 0.000000 0.000000\n0.000000 9.988123 0.000000\n0.000000 4.713635 8.857725\nCu Sn\n20 16\ndirect\n0.776701 0.056856 0.055604 Cu\n0.276701 0.443144 0.944396 Cu\n0.223299 0.943144 0.944396 Cu\n0.723299 0.556856 0.055604 Cu\n0.255963 0.186596 0.189803 Cu\n0.755963 0.313404 0.810197 Cu\n0.744037 0.813404 0.810197 Cu\n0.244037 0.686596 0.189803 Cu\n0.723218 0.316349 0.316258 Cu\n0.223218 0.183651 0.683742 Cu\n0.276782 0.683651 0.683742 Cu\n0.776782 0.816349 0.316258 Cu\n0.242839 0.431420 0.429589 Cu\n0.742839 0.068580 0.570411 Cu\n0.757161 0.568580 0.570411 Cu\n0.257161 0.931420 0.429589 Cu\n0.089228 0.937843 0.191075 Cu\n0.589228 0.562157 0.808925 Cu\n0.910772 0.062157 0.808925 Cu\n0.410772 0.437843 0.191075 Cu\n0.599474 0.284378 0.070753 Sn\n0.099474 0.215622 0.929247 Sn\n0.400526 0.715622 0.929247 Sn\n0.900526 0.784378 0.070753 Sn\n0.051505 0.435317 0.183371 Sn\n0.551505 0.064683 0.816629 Sn\n0.948495 0.564683 0.816629 Sn\n0.448495 0.935317 0.183371 Sn\n0.586833 0.577335 0.323566 Sn\n0.086833 0.922665 0.676434 Sn\n0.413167 0.422665 0.676434 Sn\n0.913167 0.077335 0.323566 Sn\n0.097587 0.668746 0.455953 Sn\n0.597587 0.831254 0.544047 Sn\n0.902413 0.331254 0.544047 Sn\n0.402413 0.168746 0.455953 Sn\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Cu",
"Sn"
],
"chemical_system": "Cu-Sn",
"density": 8.123755603609386,
"density_atomic": 0.05555365429616681,
"volume": 648.0221770484682,
"volume_molar": 10.84022434940977,
"formula_full": "Cu20 Sn16",
"formula_reduced": "Cu5Sn4",
"formula_anonymous": "A4B5",
"energy": -146.48516719,
"energy_per_atom": -4.069032421944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.48516719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008342,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.482000Z",
"spacegroup": 14
},
{
"id": "mp-8450",
"created_at": "2022-09-04T14:46:08.751487Z",
"structure_string": "Rb4 Li4 Ge2 O8\n1.0\n5.681879 0.000000 0.000000\n0.497269 5.802975 0.000000\n2.412268 0.828698 8.609873\nRb Li Ge O\n4 4 2 8\ndirect\n0.469570 0.850072 0.728895 Rb\n0.530430 0.149928 0.271105 Rb\n0.788342 0.726741 0.018068 Rb\n0.211658 0.273259 0.981932 Rb\n0.069888 0.813812 0.560577 Li\n0.930112 0.186188 0.439423 Li\n0.304426 0.408811 0.580766 Li\n0.695574 0.591189 0.419234 Li\n0.144840 0.686625 0.276295 Ge\n0.855160 0.313375 0.723705 Ge\n0.011319 0.568643 0.723506 O\n0.988681 0.431357 0.276494 O\n0.901463 0.869193 0.389962 O\n0.098537 0.130807 0.610038 O\n0.272969 0.799752 0.084116 O\n0.727031 0.200248 0.915884 O\n0.364494 0.640422 0.391311 O\n0.635506 0.359578 0.608689 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Rb",
"density": 3.7606258133541033,
"density_atomic": 0.06340639753651768,
"volume": 283.88302599328796,
"volume_molar": 9.497686343923993,
"formula_full": "Rb4 Li4 Ge2 O8",
"formula_reduced": "Rb2Li2GeO4",
"formula_anonymous": "AB2C2D4",
"energy": -98.60772647,
"energy_per_atom": -5.478207026111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.11172647,
"band_gap": 3.2731,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013285,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.480000Z",
"spacegroup": 2
},
{
"id": "mp-8452",
"created_at": "2022-09-04T14:42:09.783071Z",
"structure_string": "Na2 Li2 S2\n1.0\n4.040416 0.000000 0.000000\n0.000000 4.040416 0.000000\n0.000000 0.000000 6.549497\nNa Li S\n2 2 2\ndirect\n0.500000 0.000000 0.648478 Na\n0.000000 0.500000 0.351522 Na\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.216452 S\n0.000000 0.500000 0.783548 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Li",
"S"
],
"chemical_system": "Li-Na-S",
"density": 1.9256663191820325,
"density_atomic": 0.05611657264483985,
"volume": 106.9202860619059,
"volume_molar": 10.731483546071058,
"formula_full": "Na2 Li2 S2",
"formula_reduced": "NaLiS",
"formula_anonymous": "ABC",
"energy": -22.97829616,
"energy_per_atom": -3.8297160266666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.97229616,
"band_gap": 2.0305,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004375,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.474000Z",
"spacegroup": 129
},
{
"id": "mp-8453",
"created_at": "2022-09-04T14:41:53.080153Z",
"structure_string": "Rb2 Na2 O2\n1.0\n4.129941 0.000000 0.000000\n0.000000 4.129941 0.000000\n0.000000 0.000000 6.650497\nRb Na O\n2 2 2\ndirect\n0.500000 0.000000 0.642542 Rb\n0.000000 0.500000 0.357458 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.805353 O\n0.500000 0.000000 0.194647 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Na",
"O"
],
"chemical_system": "Na-O-Rb",
"density": 3.643816662539218,
"density_atomic": 0.052894370592440856,
"volume": 113.43362124924238,
"volume_molar": 11.385220567991079,
"formula_full": "Rb2 Na2 O2",
"formula_reduced": "RbNaO",
"formula_anonymous": "ABC",
"energy": -22.14525076,
"energy_per_atom": -3.6908751266666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.77125076,
"band_gap": 1.9856,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003563,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.659000Z",
"spacegroup": 129
},
{
"id": "mp-8454",
"created_at": "2022-09-04T14:43:06.726249Z",
"structure_string": "K1 F1\n1.0\n3.258955 0.000000 0.000000\n0.000000 3.258955 0.000000\n0.000000 0.000000 3.258955\nK F\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"K",
"F"
],
"chemical_system": "F-K",
"density": 2.787183065200986,
"density_atomic": 0.05778231060907796,
"volume": 34.612669152863326,
"volume_molar": 10.422118285892646,
"formula_full": "K1 F1",
"formula_reduced": "KF",
"formula_anonymous": "AB",
"energy": -8.687677599999999,
"energy_per_atom": -4.3438387999999994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.2256776,
"band_gap": 6.274699999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.477000Z",
"spacegroup": 221
},
{
"id": "mp-8455",
"created_at": "2022-09-04T14:39:17.428050Z",
"structure_string": "Cs1 F1\n1.0\n3.702137 0.000000 0.000000\n0.000000 3.702137 0.000000\n0.000000 0.000000 3.702137\nCs F\n1 1\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 F\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"F"
],
"chemical_system": "Cs-F",
"density": 4.971190832709703,
"density_atomic": 0.039415998929108284,
"volume": 50.74081729089509,
"volume_molar": 15.278417200160604,
"formula_full": "Cs1 F1",
"formula_reduced": "CsF",
"formula_anonymous": "AB",
"energy": -8.274506070000001,
"energy_per_atom": -4.1372530350000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.81250607,
"band_gap": 5.938,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.350000Z",
"spacegroup": 221
},
{
"id": "mp-8456",
"created_at": "2022-09-04T14:41:30.593814Z",
"structure_string": "Sr2 As2 Pt2\n1.0\n2.150825 -3.725338 0.000000\n2.150825 3.725338 0.000000\n0.000000 0.000000 9.099085\nSr As Pt\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 As\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.250000 Pt\n0.666667 0.333333 0.750000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"As",
"Pt"
],
"chemical_system": "As-Pt-Sr",
"density": 8.145339988869129,
"density_atomic": 0.041148383086651114,
"volume": 145.81374892337996,
"volume_molar": 14.635182012664878,
"formula_full": "Sr2 As2 Pt2",
"formula_reduced": "SrAsPt",
"formula_anonymous": "ABC",
"energy": -30.90670828,
"energy_per_atom": -5.151118046666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.90670828,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036789,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.206000Z",
"spacegroup": 194
},
{
"id": "mp-8458",
"created_at": "2022-09-04T14:40:14.606209Z",
"structure_string": "Ba4 As4 Pt4\n1.0\n6.829255 0.000000 0.000000\n0.000000 6.829255 0.000000\n0.000000 0.000000 6.829255\nBa As Pt\n4 4 4\ndirect\n0.610121 0.389879 0.889879 Ba\n0.389879 0.889879 0.610121 Ba\n0.110121 0.110121 0.110121 Ba\n0.889879 0.610121 0.389879 Ba\n0.171194 0.328806 0.671194 As\n0.671194 0.171194 0.328806 As\n0.328806 0.671194 0.171194 As\n0.828806 0.828806 0.828806 As\n0.595574 0.904426 0.095574 Pt\n0.095574 0.595574 0.904426 Pt\n0.404426 0.404426 0.404426 Pt\n0.904426 0.095574 0.595574 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"As",
"Pt"
],
"chemical_system": "As-Ba-Pt",
"density": 8.494508792482721,
"density_atomic": 0.03767569375964508,
"volume": 318.50773808054873,
"volume_molar": 15.984153598918974,
"formula_full": "Ba4 As4 Pt4",
"formula_reduced": "BaAsPt",
"formula_anonymous": "ABC",
"energy": -62.54059751,
"energy_per_atom": -5.2117164591666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.54059751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.543000Z",
"spacegroup": 198
},
{
"id": "mp-8459",
"created_at": "2022-09-04T14:41:35.207930Z",
"structure_string": "Cd2 S2 O8\n1.0\n2.698420 -4.206732 0.000000\n2.698420 4.206732 0.000000\n0.000000 0.000000 7.313446\nCd S O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.644847 0.355153 0.750000 S\n0.355153 0.644847 0.250000 S\n0.234246 0.311841 0.250000 O\n0.765754 0.688159 0.750000 O\n0.311841 0.234246 0.750000 O\n0.688159 0.765754 0.250000 O\n0.261199 0.738801 0.419676 O\n0.738801 0.261199 0.919676 O\n0.738801 0.261199 0.580324 O\n0.261199 0.738801 0.080324 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 4.169881489437299,
"density_atomic": 0.07227278645522857,
"volume": 166.0375998846224,
"volume_molar": 8.332514982981298,
"formula_full": "Cd2 S2 O8",
"formula_reduced": "CdSO4",
"formula_anonymous": "ABC4",
"energy": -71.67147315999999,
"energy_per_atom": -5.972622763333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.17547316,
"band_gap": 2.8625,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.078000Z",
"spacegroup": 63
},
{
"id": "mp-846",
"created_at": "2022-09-04T14:42:16.864641Z",
"structure_string": "Hf4 Al6\n1.0\n0.000000 4.774044 6.910488\n2.764909 0.000000 6.910488\n2.764909 4.774044 0.000000\nHf Al\n4 6\ndirect\n0.137536 0.756514 0.231906 Hf\n0.874043 0.231906 0.756514 Hf\n0.018094 0.375957 0.112464 Hf\n0.493486 0.112464 0.375957 Hf\n0.624843 0.375157 0.375157 Al\n0.874843 0.625157 0.625157 Al\n0.543368 0.184934 0.821488 Al\n0.450210 0.821488 0.184934 Al\n0.428512 0.799790 0.706632 Al\n0.065066 0.706632 0.799790 Al\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Hf",
"Al"
],
"chemical_system": "Al-Hf",
"density": 7.972095239331533,
"density_atomic": 0.05481431959729916,
"volume": 182.43408061007338,
"volume_molar": 10.986437128550484,
"formula_full": "Hf4 Al6",
"formula_reduced": "Hf2Al3",
"formula_anonymous": "A2B3",
"energy": -66.56064735,
"energy_per_atom": -6.656064734999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.56064735,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007069,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.058000Z",
"spacegroup": 43
}
]
}