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=band_gap&page=52",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=band_gap&page=50",
"results": [
{
"id": "mp-1102731",
"created_at": "2022-09-04T14:42:23.081831Z",
"structure_string": "Yb4 Cd8\n1.0\n2.972021 -5.147691 0.000000\n2.972021 5.147691 0.000000\n0.000000 0.000000 9.985095\nYb Cd\n4 8\ndirect\n0.333333 0.666667 0.441334 Yb\n0.666667 0.333333 0.558666 Yb\n0.666667 0.333333 0.941334 Yb\n0.333333 0.666667 0.058666 Yb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.829672 0.170328 0.250000 Cd\n0.829672 0.659344 0.250000 Cd\n0.340656 0.170328 0.250000 Cd\n0.170328 0.829672 0.750000 Cd\n0.170328 0.340656 0.750000 Cd\n0.659344 0.829672 0.750000 Cd\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Yb",
"Cd"
],
"chemical_system": "Cd-Yb",
"density": 8.649579803399266,
"density_atomic": 0.039276674155052024,
"volume": 305.5248505163078,
"volume_molar": 15.332613795726369,
"formula_full": "Yb4 Cd8",
"formula_reduced": "YbCd2",
"formula_anonymous": "AB2",
"energy": -17.39936652,
"energy_per_atom": -1.4499472100000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.39936652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016052,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.689000Z",
"spacegroup": 194
},
{
"id": "mp-1218133",
"created_at": "2022-09-04T14:42:25.026159Z",
"structure_string": "Ta3 Co8 Si1\n1.0\n2.370997 -4.106687 0.000000\n2.370997 4.106687 0.000000\n0.000000 0.000000 7.678757\nTa Co Si\n3 8 1\ndirect\n0.666667 0.333333 0.554879 Ta\n0.666667 0.333333 0.927598 Ta\n0.000000 0.000000 0.089873 Ta\n0.333333 0.666667 0.495468 Co\n0.333333 0.666667 0.993998 Co\n0.997317 0.498659 0.247924 Co\n0.501341 0.498659 0.247924 Co\n0.501341 0.002683 0.247924 Co\n0.671427 0.835714 0.746094 Co\n0.164286 0.835714 0.746094 Co\n0.164286 0.328573 0.746094 Co\n0.000000 0.000000 0.455963 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Co",
"Si"
],
"chemical_system": "Co-Si-Ta",
"density": 11.575446824380164,
"density_atomic": 0.08024864688249347,
"volume": 149.5352316353865,
"volume_molar": 7.504351779062521,
"formula_full": "Ta3 Co8 Si1",
"formula_reduced": "Ta3Co8Si",
"formula_anonymous": "AB3C8",
"energy": -100.06582243,
"energy_per_atom": -8.338818535833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.13682243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6420284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.681000Z",
"spacegroup": 156
},
{
"id": "mp-21608",
"created_at": "2022-09-04T14:42:23.581313Z",
"structure_string": "Tm2 Ni21 B6\n1.0\n0.000000 5.316365 5.316365\n5.316365 0.000000 5.316365\n5.316365 5.316365 0.000000\nTm Ni B\n2 21 6\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.837763 0.387412 0.387412 Ni\n0.162237 0.612588 0.612588 Ni\n0.612588 0.612588 0.612588 Ni\n0.612588 0.612588 0.162237 Ni\n0.387412 0.837763 0.387412 Ni\n0.663030 0.336970 0.000000 Ni\n0.000000 0.336970 0.663030 Ni\n0.387412 0.387412 0.387412 Ni\n0.000000 0.000000 0.336970 Ni\n0.000000 0.000000 0.663030 Ni\n0.000000 0.336970 0.000000 Ni\n0.663030 0.000000 0.336970 Ni\n0.336970 0.000000 0.000000 Ni\n0.000000 0.663030 0.000000 Ni\n0.336970 0.000000 0.663030 Ni\n0.000000 0.663030 0.336970 Ni\n0.336970 0.663030 0.000000 Ni\n0.612588 0.162237 0.612588 Ni\n0.000000 0.000000 0.000000 Ni\n0.663030 0.000000 0.000000 Ni\n0.387412 0.387412 0.837763 Ni\n0.729547 0.729547 0.270453 B\n0.729547 0.270453 0.729547 B\n0.270453 0.729547 0.729547 B\n0.270453 0.270453 0.729547 B\n0.270453 0.729547 0.270453 B\n0.729547 0.270453 0.270453 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"B"
],
"chemical_system": "B-Ni-Tm",
"density": 9.0358925500217,
"density_atomic": 0.09649918193827793,
"volume": 300.5206823260819,
"volume_molar": 6.2406132767548605,
"formula_full": "Tm2 Ni21 B6",
"formula_reduced": "Tm2(Ni7B2)3",
"formula_anonymous": "A2B6C21",
"energy": -180.79922385,
"energy_per_atom": -6.234455994827586,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.79922385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2529359,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.476000Z",
"spacegroup": 225
},
{
"id": "mp-1202892",
"created_at": "2022-09-04T14:42:23.590791Z",
"structure_string": "Mn8 N8 O40\n1.0\n0.000000 -2.987013 0.000000\n-0.011885 0.000000 -14.561124\n15.821417 0.000000 6.873580\nMn N O\n8 8 40\ndirect\n0.791626 0.264106 0.078673 Mn\n0.291626 0.235894 0.921327 Mn\n0.208374 0.735894 0.921327 Mn\n0.708374 0.764106 0.078673 Mn\n0.930944 0.686266 0.422151 Mn\n0.430944 0.813734 0.577849 Mn\n0.069056 0.313734 0.577849 Mn\n0.569056 0.186266 0.422151 Mn\n0.660489 0.600591 0.144756 N\n0.160489 0.899409 0.855244 N\n0.339511 0.399409 0.855244 N\n0.839511 0.100591 0.144756 N\n0.941467 0.460324 0.360254 N\n0.441467 0.039676 0.639746 N\n0.058533 0.539676 0.639746 N\n0.558533 0.960324 0.360254 N\n0.294596 0.340506 0.135986 O\n0.794596 0.159494 0.864014 O\n0.705404 0.659494 0.864014 O\n0.205404 0.840506 0.135986 O\n0.660684 0.696613 0.163132 O\n0.160684 0.803387 0.836868 O\n0.339316 0.303387 0.836868 O\n0.839316 0.196613 0.163132 O\n0.785117 0.538987 0.075246 O\n0.285117 0.961013 0.924754 O\n0.214883 0.461013 0.924754 O\n0.714883 0.038987 0.075246 O\n0.529752 0.573886 0.201424 O\n0.029752 0.926114 0.798576 O\n0.470248 0.426114 0.798576 O\n0.970248 0.073886 0.201424 O\n0.292269 0.183805 0.008767 O\n0.792269 0.316195 0.991233 O\n0.707731 0.816195 0.991233 O\n0.207731 0.683805 0.008767 O\n0.435547 0.705305 0.362992 O\n0.935547 0.794695 0.637008 O\n0.564453 0.294695 0.637008 O\n0.064453 0.205305 0.362992 O\n0.998039 0.538059 0.341437 O\n0.498039 0.961941 0.658563 O\n0.001961 0.461941 0.658563 O\n0.501961 0.038059 0.341437 O\n0.765533 0.468598 0.427617 O\n0.265533 0.031402 0.572383 O\n0.234467 0.531402 0.572383 O\n0.734467 0.968598 0.427617 O\n0.072642 0.378023 0.306940 O\n0.572642 0.121977 0.693060 O\n0.927358 0.621977 0.693060 O\n0.427358 0.878023 0.306940 O\n0.432075 0.676570 0.493921 O\n0.932075 0.823430 0.506079 O\n0.567925 0.323429 0.506079 O\n0.067925 0.176570 0.493921 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Mn",
"N",
"O"
],
"chemical_system": "Mn-N-O",
"density": 2.876286621206334,
"density_atomic": 0.08140754651086353,
"volume": 687.8969137403866,
"volume_molar": 7.397521505203904,
"formula_full": "Mn8 N8 O40",
"formula_reduced": "MnNO5",
"formula_anonymous": "ABC5",
"energy": -392.59852473,
"energy_per_atom": -7.010687941607143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.77452473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9872883,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.818000Z",
"spacegroup": 14
},
{
"id": "mp-1095419",
"created_at": "2022-09-04T14:42:24.255585Z",
"structure_string": "Ta4 Cr4 P4\n1.0\n3.532657 0.000000 0.000000\n0.000000 6.233713 0.000000\n0.000000 0.000000 7.374797\nTa Cr P\n4 4 4\ndirect\n0.250000 0.031250 0.828100 Ta\n0.250000 0.531250 0.671900 Ta\n0.750000 0.968750 0.171900 Ta\n0.750000 0.468750 0.328100 Ta\n0.250000 0.144649 0.440766 Cr\n0.250000 0.644649 0.059234 Cr\n0.750000 0.855351 0.559234 Cr\n0.750000 0.355351 0.940766 Cr\n0.250000 0.769617 0.367446 P\n0.250000 0.269617 0.132554 P\n0.750000 0.230383 0.632554 P\n0.750000 0.730383 0.867446 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Cr",
"P"
],
"chemical_system": "Cr-P-Ta",
"density": 10.793923350642007,
"density_atomic": 0.07388952932843805,
"volume": 162.4046073789447,
"volume_molar": 8.150195047571163,
"formula_full": "Ta4 Cr4 P4",
"formula_reduced": "TaCrP",
"formula_anonymous": "ABC",
"energy": -115.65515050000002,
"energy_per_atom": -9.637929208333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.65515050000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6006069,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.441000Z",
"spacegroup": 62
},
{
"id": "mp-2370",
"created_at": "2022-09-04T14:42:23.596892Z",
"structure_string": "Pr1 Ni5\n1.0\n2.485361 -4.304771 0.000000\n2.485361 4.304771 0.000000\n0.000000 0.000000 3.961110\nPr Ni\n1 5\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pr",
"Ni"
],
"chemical_system": "Ni-Pr",
"density": 8.509952546968256,
"density_atomic": 0.07078884384685932,
"volume": 84.75911844216681,
"volume_molar": 8.507189032537338,
"formula_full": "Pr1 Ni5",
"formula_reduced": "PrNi5",
"formula_anonymous": "AB5",
"energy": -35.2473553,
"energy_per_atom": -5.874559216666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.2473553,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3215419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.045000Z",
"spacegroup": 191
},
{
"id": "mp-3061",
"created_at": "2022-09-04T14:42:23.599374Z",
"structure_string": "Tb1 Ni1 C2\n1.0\n2.260528 -3.009052 0.000000\n2.260528 3.009052 0.000000\n0.000000 0.000000 3.625596\nTb Ni C\n1 1 2\ndirect\n0.999891 0.000109 0.000000 Tb\n0.388366 0.611634 0.500000 Ni\n0.851676 0.451934 0.500000 C\n0.548066 0.148324 0.500000 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"C"
],
"chemical_system": "C-Ni-Tb",
"density": 8.135218195639428,
"density_atomic": 0.08109816039161413,
"volume": 49.32294371024494,
"volume_molar": 7.425742743016293,
"formula_full": "Tb1 Ni1 C2",
"formula_reduced": "TbNiC2",
"formula_anonymous": "ABC2",
"energy": -30.1937513,
"energy_per_atom": -7.548437825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.1937513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005316,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.757000Z",
"spacegroup": 38
},
{
"id": "mp-1023499",
"created_at": "2022-09-04T14:42:22.334901Z",
"structure_string": "Na1 Mg15\n1.0\n3.221975 -5.580625 0.000000\n3.221975 5.580625 0.000000\n0.000000 0.000000 10.392458\nNa Mg\n1 15\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Mg\n0.000970 0.500485 0.500000 Mg\n0.999942 0.499971 0.000000 Mg\n0.499515 0.500485 0.500000 Mg\n0.500029 0.499971 0.000000 Mg\n0.499515 0.999030 0.500000 Mg\n0.500029 0.000058 0.000000 Mg\n0.167335 0.334670 0.247426 Mg\n0.167335 0.334670 0.752574 Mg\n0.167335 0.832665 0.247426 Mg\n0.167335 0.832665 0.752574 Mg\n0.665330 0.832665 0.247426 Mg\n0.665330 0.832665 0.752574 Mg\n0.666667 0.333333 0.250230 Mg\n0.666667 0.333333 0.749770 Mg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.7220276034311974,
"density_atomic": 0.042812116873542805,
"volume": 373.72597218820874,
"volume_molar": 14.066440063657739,
"formula_full": "Na1 Mg15",
"formula_reduced": "NaMg15",
"formula_anonymous": "AB15",
"energy": -24.84018488,
"energy_per_atom": -1.552511555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.84018488,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.791000Z",
"spacegroup": 187
},
{
"id": "mp-675930",
"created_at": "2022-09-04T14:42:22.729821Z",
"structure_string": "In6 As2 Se6\n1.0\n4.246303 0.000000 0.000000\n0.000000 6.130055 0.000000\n0.000000 0.000000 17.091653\nIn As Se\n6 2 6\ndirect\n0.500000 0.492230 0.933919 In\n0.000000 0.992230 0.066081 In\n0.000000 0.997547 0.305804 In\n0.500000 0.490464 0.436767 In\n0.000000 0.990464 0.563233 In\n0.500000 0.497547 0.694196 In\n0.000000 0.748629 0.434348 As\n0.500000 0.248629 0.565652 As\n0.500000 0.244064 0.813365 Se\n0.000000 0.761166 0.933949 Se\n0.500000 0.261166 0.066051 Se\n0.000000 0.744064 0.186635 Se\n0.500000 0.265900 0.304500 Se\n0.000000 0.765900 0.695500 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"In",
"As",
"Se"
],
"chemical_system": "As-In-Se",
"density": 4.898833700400892,
"density_atomic": 0.03146796199482129,
"volume": 444.89694001486316,
"volume_molar": 19.137371403305586,
"formula_full": "In6 As2 Se6",
"formula_reduced": "In3AsSe3",
"formula_anonymous": "AB3C3",
"energy": -55.4870617,
"energy_per_atom": -3.9633615499999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.6550617,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 4.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.359000Z",
"spacegroup": 31
},
{
"id": "mp-4283",
"created_at": "2022-09-04T14:42:23.877377Z",
"structure_string": "La2 Si4 Pt2\n1.0\n2.189424 -8.465810 0.000000\n2.189424 8.465810 0.000000\n0.000000 0.000000 4.287082\nLa Si Pt\n2 4 2\ndirect\n0.106011 0.893989 0.250000 La\n0.893989 0.106011 0.750000 La\n0.750780 0.249220 0.250000 Si\n0.249220 0.750780 0.750000 Si\n0.536246 0.463754 0.750000 Si\n0.463754 0.536246 0.250000 Si\n0.680397 0.319603 0.750000 Pt\n0.319603 0.680397 0.250000 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"La",
"Si",
"Pt"
],
"chemical_system": "La-Pt-Si",
"density": 8.153276694879914,
"density_atomic": 0.05033844656662668,
"volume": 158.92425264675987,
"volume_molar": 11.963302745207383,
"formula_full": "La2 Si4 Pt2",
"formula_reduced": "LaSi2Pt",
"formula_anonymous": "ABC2",
"energy": -52.0076675,
"energy_per_atom": -6.5009584375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.0076675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.86e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.485000Z",
"spacegroup": 63
},
{
"id": "mp-865978",
"created_at": "2022-09-04T14:42:22.335899Z",
"structure_string": "Yb1 Pr1 Hg2\n1.0\n0.000000 3.811160 3.811160\n3.811160 0.000000 3.811160\n3.811160 3.811160 0.000000\nYb Pr Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Pr\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"Hg"
],
"chemical_system": "Hg-Pr-Yb",
"density": 10.725835372712385,
"density_atomic": 0.03612920876734823,
"volume": 110.71374481953781,
"volume_molar": 16.668343884249435,
"formula_full": "Yb1 Pr1 Hg2",
"formula_reduced": "YbPrHg2",
"formula_anonymous": "ABC2",
"energy": -9.22877257,
"energy_per_atom": -2.3071931425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.22877257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.277000Z",
"spacegroup": 225
},
{
"id": "mp-675198",
"created_at": "2022-09-04T14:42:25.365615Z",
"structure_string": "Ba1 W6 O19\n1.0\n6.538507 3.756256 0.000000\n-6.538507 3.756256 0.000000\n0.000000 0.006462 7.833011\nBa W O\n1 6 19\ndirect\n0.007654 0.007654 0.590833 Ba\n0.998275 0.497217 0.251988 W\n0.498780 0.498780 0.750829 W\n0.499063 0.998358 0.756159 W\n0.497217 0.998275 0.251988 W\n0.499043 0.499043 0.235586 W\n0.998358 0.499063 0.756159 W\n0.996836 0.498968 0.999379 O\n0.000146 0.496742 0.500355 O\n0.786265 0.568725 0.242055 O\n0.797227 0.584936 0.752710 O\n0.789372 0.208201 0.745734 O\n0.787127 0.208030 0.254589 O\n0.425564 0.209275 0.237446 O\n0.413024 0.200818 0.756177 O\n0.498968 0.996836 0.999379 O\n0.496742 0.000146 0.500355 O\n0.568725 0.786265 0.242055 O\n0.584936 0.797227 0.752710 O\n0.594597 0.594597 0.494900 O\n0.208201 0.789372 0.745734 O\n0.208030 0.787127 0.254589 O\n0.394085 0.394085 0.493328 O\n0.501673 0.501673 0.001344 O\n0.209275 0.425564 0.237446 O\n0.200818 0.413024 0.756177 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"W",
"O"
],
"chemical_system": "Ba-O-W",
"density": 6.66505743950041,
"density_atomic": 0.06757418863173184,
"volume": 384.7622964693768,
"volume_molar": 8.911895032613224,
"formula_full": "Ba1 W6 O19",
"formula_reduced": "BaW6O19",
"formula_anonymous": "AB6C19",
"energy": -225.103189,
"energy_per_atom": -8.657814961538461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.640189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0029818,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.809000Z",
"spacegroup": 8
}
]
}