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=11517",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=11515",
"results": [
{
"id": "mp-1057273",
"created_at": "2022-09-04T14:46:41.970948Z",
"structure_string": "Pb2\n1.0\n-1.821154 -3.154331 0.000000\n1.821154 -3.154331 0.000000\n0.000000 -2.102887 6.062357\nPb\n2\ndirect\n0.098344 0.098344 0.704969 Pb\n0.901656 0.901656 0.295031 Pb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 9.87969198211149,
"density_atomic": 0.028714718051293272,
"volume": 69.65069259699462,
"volume_molar": 20.97231374252958,
"formula_full": "Pb2",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -7.21175823,
"energy_per_atom": -3.605879115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.21175823,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001925,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.441000Z",
"spacegroup": 166
},
{
"id": "mp-31251",
"created_at": "2022-09-04T14:39:14.715722Z",
"structure_string": "Ga8 Sb32 Cl32\n1.0\n10.131574 0.000000 0.000000\n0.000000 13.523402 0.000000\n0.000000 0.000000 18.301423\nGa Sb Cl\n8 32 32\ndirect\n0.536493 0.377871 0.819185 Ga\n0.463507 0.877871 0.180815 Ga\n0.963507 0.377871 0.319185 Ga\n0.036493 0.877871 0.680815 Ga\n0.512540 0.065403 0.502240 Ga\n0.487460 0.565403 0.497760 Ga\n0.987460 0.065403 0.002240 Ga\n0.012540 0.565403 0.997760 Ga\n0.889606 0.178145 0.676954 Sb\n0.110394 0.678145 0.323046 Sb\n0.610394 0.178145 0.176954 Sb\n0.389606 0.678145 0.823046 Sb\n0.061437 0.239572 0.550891 Sb\n0.938563 0.739572 0.449109 Sb\n0.438563 0.239572 0.050891 Sb\n0.561437 0.739572 0.949109 Sb\n0.967747 0.318780 0.791255 Sb\n0.032253 0.818780 0.208745 Sb\n0.532253 0.318780 0.291255 Sb\n0.467747 0.818780 0.708745 Sb\n0.050671 0.456090 0.565136 Sb\n0.949329 0.956090 0.434864 Sb\n0.449329 0.456090 0.065136 Sb\n0.550671 0.956090 0.934864 Sb\n0.179008 0.225702 0.696652 Sb\n0.820992 0.725702 0.303348 Sb\n0.320992 0.225702 0.196652 Sb\n0.679008 0.725702 0.803348 Sb\n0.874343 0.479391 0.695803 Sb\n0.125657 0.979391 0.304197 Sb\n0.625657 0.479391 0.195803 Sb\n0.374343 0.979391 0.804197 Sb\n0.798054 0.338444 0.582198 Sb\n0.201946 0.838444 0.417802 Sb\n0.701946 0.338444 0.082198 Sb\n0.298054 0.838444 0.917802 Sb\n0.168334 0.441013 0.710983 Sb\n0.831666 0.941013 0.289017 Sb\n0.331666 0.441013 0.210983 Sb\n0.668334 0.941013 0.789017 Sb\n0.538328 0.904359 0.497077 Cl\n0.461672 0.404359 0.502923 Cl\n0.961672 0.904359 0.997077 Cl\n0.038328 0.404359 0.002923 Cl\n0.346297 0.376635 0.877733 Cl\n0.653703 0.876635 0.122267 Cl\n0.153703 0.376635 0.377733 Cl\n0.846297 0.876635 0.622267 Cl\n0.601506 0.224917 0.801352 Cl\n0.398494 0.724917 0.198648 Cl\n0.898494 0.224917 0.301352 Cl\n0.101506 0.724917 0.698648 Cl\n0.325349 0.107717 0.447657 Cl\n0.674651 0.607717 0.552343 Cl\n0.174651 0.107717 0.947657 Cl\n0.825349 0.607717 0.052343 Cl\n0.510998 0.117312 0.616673 Cl\n0.489002 0.617312 0.383327 Cl\n0.989002 0.117312 0.116673 Cl\n0.010998 0.617312 0.883327 Cl\n0.679287 0.138447 0.445376 Cl\n0.320713 0.638447 0.554624 Cl\n0.820713 0.138447 0.945376 Cl\n0.179287 0.638447 0.054624 Cl\n0.511099 0.451714 0.712283 Cl\n0.488901 0.951714 0.287717 Cl\n0.988901 0.451714 0.212283 Cl\n0.011099 0.951714 0.787717 Cl\n0.683466 0.461568 0.882831 Cl\n0.316534 0.961568 0.117169 Cl\n0.816534 0.461568 0.382831 Cl\n0.183466 0.961568 0.617169 Cl\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Ga",
"Sb",
"Cl"
],
"chemical_system": "Cl-Ga-Sb",
"density": 3.700874737707477,
"density_atomic": 0.02871340908560145,
"volume": 2507.5392401282274,
"volume_molar": 20.973269812882815,
"formula_full": "Ga8 Sb32 Cl32",
"formula_reduced": "Ga(SbCl)4",
"formula_anonymous": "AB4C4",
"energy": -279.13094672,
"energy_per_atom": -3.876818704444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.48294672,
"band_gap": 2.0171,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043994,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.335000Z",
"spacegroup": 33
},
{
"id": "mp-1195123",
"created_at": "2022-09-04T14:43:21.207139Z",
"structure_string": "Ba8 Th4 Cr4 Te28\n1.0\n6.262637 0.000000 0.000000\n0.000000 12.806327 0.000000\n0.000000 0.000000 19.107621\nBa Th Cr Te\n8 4 4 28\ndirect\n0.250000 0.322123 0.943973 Ba\n0.250000 0.822123 0.556027 Ba\n0.750000 0.677877 0.056027 Ba\n0.750000 0.177877 0.443973 Ba\n0.250000 0.446814 0.275526 Ba\n0.250000 0.946814 0.224474 Ba\n0.750000 0.553186 0.724474 Ba\n0.750000 0.053186 0.775526 Ba\n0.250000 0.291638 0.624598 Th\n0.250000 0.791638 0.875402 Th\n0.750000 0.708362 0.375402 Th\n0.750000 0.208362 0.124598 Th\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.002354 0.075478 0.601574 Te\n0.497646 0.575478 0.898426 Te\n0.502354 0.924522 0.398426 Te\n0.997646 0.424522 0.101574 Te\n0.997646 0.924522 0.398426 Te\n0.502354 0.424522 0.101574 Te\n0.497646 0.075478 0.601574 Te\n0.002354 0.575478 0.898426 Te\n0.002755 0.306863 0.771290 Te\n0.497245 0.806863 0.728710 Te\n0.502755 0.693137 0.228710 Te\n0.997245 0.193137 0.271290 Te\n0.997245 0.693137 0.228710 Te\n0.502755 0.193137 0.271290 Te\n0.497245 0.306863 0.771290 Te\n0.002755 0.806863 0.728710 Te\n0.250000 0.041520 0.882025 Te\n0.250000 0.541520 0.617975 Te\n0.750000 0.958480 0.117975 Te\n0.750000 0.458480 0.382025 Te\n0.250000 0.329248 0.459245 Te\n0.250000 0.829248 0.040755 Te\n0.750000 0.670752 0.540755 Te\n0.750000 0.170752 0.959245 Te\n0.250000 0.637451 0.415496 Te\n0.250000 0.137451 0.084504 Te\n0.750000 0.362549 0.584504 Te\n0.750000 0.862549 0.915496 Te\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ba",
"Th",
"Cr",
"Te"
],
"chemical_system": "Ba-Cr-Te-Th",
"density": 6.292943136492715,
"density_atomic": 0.02871205197603137,
"volume": 1532.4575212085472,
"volume_molar": 20.974261139633082,
"formula_full": "Ba8 Th4 Cr4 Te28",
"formula_reduced": "Ba2ThCrTe7",
"formula_anonymous": "ABC2D7",
"energy": -226.73373428,
"energy_per_atom": -5.153039415454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.91773428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0991446,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.892000Z",
"spacegroup": 62
},
{
"id": "mp-1229272",
"created_at": "2022-09-04T14:39:21.298892Z",
"structure_string": "Ag2 Sb6 Pb2 S12\n1.0\n0.000000 0.000000 5.463259\n10.719602 7.376540 0.000000\n-9.997830 6.204830 0.000000\nAg Sb Pb S\n2 6 2 12\ndirect\n0.384285 0.943524 0.256470 Ag\n0.615715 0.443524 0.756470 Ag\n0.638338 0.703243 0.044303 Sb\n0.711937 0.772476 0.499010 Sb\n0.280970 0.549500 0.244331 Sb\n0.719030 0.049500 0.744331 Sb\n0.288063 0.272476 0.999010 Sb\n0.361662 0.203243 0.544303 Sb\n0.662810 0.255660 0.287086 Pb\n0.337190 0.755660 0.787086 Pb\n0.540840 0.102259 0.955612 S\n0.519510 0.373571 0.530884 S\n0.480490 0.873571 0.030884 S\n0.459160 0.602259 0.455612 S\n0.192082 0.290185 0.209949 S\n0.807918 0.790185 0.709949 S\n0.592631 0.432866 0.090960 S\n0.407369 0.932866 0.590960 S\n0.348134 0.589104 0.887606 S\n0.651866 0.089104 0.387606 S\n0.411440 0.737612 0.243788 S\n0.588560 0.237612 0.743788 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ag",
"Sb",
"Pb",
"S"
],
"chemical_system": "Ag-Pb-S-Sb",
"density": 3.782414250961574,
"density_atomic": 0.028709702570337194,
"volume": 766.2914635253085,
"volume_molar": 20.975977529708246,
"formula_full": "Ag2 Sb6 Pb2 S12",
"formula_reduced": "AgSb3PbS6",
"formula_anonymous": "ABC3D6",
"energy": -97.13039254,
"energy_per_atom": -4.415017842727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.09439254,
"band_gap": 1.5029,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035657,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.900000Z",
"spacegroup": 7
},
{
"id": "mp-1096992",
"created_at": "2022-09-04T14:41:02.796536Z",
"structure_string": "Hg4\n1.0\n-3.227143 3.227143 3.344697\n3.227143 -3.227143 3.344697\n3.227143 3.227143 -3.344697\nHg\n4\ndirect\n0.875000 0.329267 0.954267 Hg\n0.375000 0.920733 0.045733 Hg\n0.670733 0.625000 0.545733 Hg\n0.079267 0.125000 0.454267 Hg\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 9.562361874033742,
"density_atomic": 0.02870825525868141,
"volume": 139.33274467421336,
"volume_molar": 20.97703502263133,
"formula_full": "Hg4",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -1.10181619,
"energy_per_atom": -0.2754540475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.10181619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001239,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.390000Z",
"spacegroup": 122
},
{
"id": "mp-569639",
"created_at": "2022-09-04T14:41:17.065368Z",
"structure_string": "Tl1 Cl1\n1.0\n0.000000 3.265865 3.265865\n3.265865 0.000000 3.265865\n3.265865 3.265865 0.000000\nTl Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tl",
"Cl"
],
"chemical_system": "Cl-Tl",
"density": 5.716620099833653,
"density_atomic": 0.02870815712595675,
"volume": 69.66661047677216,
"volume_molar": 20.97710672816063,
"formula_full": "Tl1 Cl1",
"formula_reduced": "TlCl",
"formula_anonymous": "AB",
"energy": -6.85916845,
"energy_per_atom": -3.429584225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.24516845,
"band_gap": 2.5369,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.333000Z",
"spacegroup": 225
},
{
"id": "mp-1112961",
"created_at": "2022-09-04T14:42:45.830854Z",
"structure_string": "Cs2 In2 Cl6\n1.0\n0.000000 5.584716 5.584716\n5.584716 0.000000 5.584716\n5.584716 5.584716 0.000000\nCs In Cl\n2 2 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.770342 0.229658 0.229658 Cl\n0.229658 0.229658 0.770342 Cl\n0.229658 0.770342 0.770342 Cl\n0.229658 0.770342 0.229658 Cl\n0.770342 0.229658 0.770342 Cl\n0.770342 0.770342 0.229658 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"In",
"Cl"
],
"chemical_system": "Cl-Cs-In",
"density": 3.375594129984166,
"density_atomic": 0.02870560641644073,
"volume": 348.3640044013368,
"volume_molar": 20.978970702221098,
"formula_full": "Cs2 In2 Cl6",
"formula_reduced": "CsInCl3",
"formula_anonymous": "ABC3",
"energy": -36.55730465,
"energy_per_atom": -3.655730465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87330465,
"band_gap": 1.7756999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.406000Z",
"spacegroup": 225
},
{
"id": "mp-23268",
"created_at": "2022-09-04T14:46:38.478227Z",
"structure_string": "Na1 I1\n1.0\n0.000000 3.265998 3.265998\n3.265998 0.000000 3.265998\n3.265998 3.265998 0.000000\nNa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"I"
],
"chemical_system": "I-Na",
"density": 3.5723689080929475,
"density_atomic": 0.028704650054537807,
"volume": 69.6751221910064,
"volume_molar": 20.979669665222005,
"formula_full": "Na1 I1",
"formula_reduced": "NaI",
"formula_anonymous": "AB",
"energy": -5.76581822,
"energy_per_atom": -2.88290911,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.38681822,
"band_gap": 3.5687,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003867,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.903000Z",
"spacegroup": 225
},
{
"id": "mp-1039317",
"created_at": "2022-09-04T14:47:00.542360Z",
"structure_string": "Ca4 Mg2\n1.0\n1.869333 -9.449634 0.000000\n1.869333 9.449634 0.000000\n0.000000 0.000000 5.916778\nCa Mg\n4 2\ndirect\n0.092438 0.907562 0.250000 Ca\n0.786259 0.213741 0.250000 Ca\n0.213741 0.786259 0.750000 Ca\n0.907562 0.092438 0.750000 Ca\n0.441768 0.558232 0.250000 Mg\n0.558232 0.441768 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.659649353543333,
"density_atomic": 0.028703464516139678,
"volume": 209.0339999419324,
"volume_molar": 20.98053618793581,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.40551842,
"energy_per_atom": -1.9009197366666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.40551842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.089000Z",
"spacegroup": 63
},
{
"id": "mp-1221664",
"created_at": "2022-09-04T14:44:27.812015Z",
"structure_string": "Mn1 Cd2 Te3\n1.0\n2.316190 -4.011759 0.000000\n2.316190 4.011759 0.000000\n0.000000 0.000000 11.249267\nMn Cd Te\n1 2 3\ndirect\n0.333333 0.666667 0.663808 Mn\n0.000000 0.000000 0.996884 Cd\n0.666667 0.333333 0.338319 Cd\n0.000000 0.000000 0.250353 Te\n0.666667 0.333333 0.594004 Te\n0.333333 0.666667 0.906632 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Cd",
"Te"
],
"chemical_system": "Cd-Mn-Te",
"density": 5.2627301493962015,
"density_atomic": 0.02870040412942089,
"volume": 209.05628969347433,
"volume_molar": 20.98277338829066,
"formula_full": "Mn1 Cd2 Te3",
"formula_reduced": "MnCd2Te3",
"formula_anonymous": "AB2C3",
"energy": -23.68505526,
"energy_per_atom": -3.9475092099999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.41905526,
"band_gap": 0.3944000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.9996809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.084000Z",
"spacegroup": 156
},
{
"id": "mp-1205460",
"created_at": "2022-09-04T14:47:42.212247Z",
"structure_string": "Zn2 Hg6 Se6 Br4\n1.0\n7.673361 0.000000 0.000000\n-2.064175 9.446916 0.000000\n-2.942511 -3.912432 8.652243\nZn Hg Se Br\n2 6 6 4\ndirect\n0.411969 0.316005 0.361224 Zn\n0.588031 0.683995 0.638776 Zn\n0.000000 0.000000 0.500000 Hg\n0.000000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.000000 Hg\n0.272871 0.535032 0.405616 Se\n0.212383 0.053740 0.351980 Se\n0.349413 0.204786 0.084584 Se\n0.727129 0.464968 0.594384 Se\n0.787617 0.946260 0.648020 Se\n0.650587 0.795214 0.915416 Se\n0.297328 0.729480 0.107728 Br\n0.702672 0.270520 0.892272 Br\n0.182540 0.357771 0.753748 Br\n0.817460 0.642229 0.246252 Br\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Zn",
"Hg",
"Se",
"Br"
],
"chemical_system": "Br-Hg-Se-Zn",
"density": 5.63328908396618,
"density_atomic": 0.028699089111162795,
"volume": 627.1976065260803,
"volume_molar": 20.983734837973056,
"formula_full": "Zn2 Hg6 Se6 Br4",
"formula_reduced": "ZnHg3Se3Br2",
"formula_anonymous": "AB2C3D3",
"energy": -41.82711727,
"energy_per_atom": -2.3237287372222224,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.85911727,
"band_gap": 0.7927,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.719000Z",
"spacegroup": 2
},
{
"id": "mp-1185110",
"created_at": "2022-09-04T14:41:09.106033Z",
"structure_string": "K3 Rh1\n1.0\n-2.855555 2.855555 4.273458\n2.855555 -2.855555 4.273458\n2.855555 2.855555 -4.273458\nK Rh\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Rh"
],
"chemical_system": "K-Rh",
"density": 2.6232924592681366,
"density_atomic": 0.028697198460708846,
"volume": 139.38642845142718,
"volume_molar": 20.985117304204085,
"formula_full": "K3 Rh1",
"formula_reduced": "K3Rh",
"formula_anonymous": "AB3",
"energy": -8.39944545,
"energy_per_atom": -2.0998613625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.39944545,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.568000Z",
"spacegroup": 139
}
]
}