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=10257",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=10255",
"results": [
{
"id": "mp-1100662",
"created_at": "2022-09-04T14:41:47.625592Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n1.447734 9.745971 0.000000\n-1.447734 9.745971 0.000000\n0.000000 1.063732 10.227876\nLi Mn Co O\n9 2 5 16\ndirect\n0.379706 0.379706 0.928902 Li\n0.118445 0.118445 0.804822 Li\n0.882720 0.882720 0.697207 Li\n0.620279 0.620279 0.565062 Li\n0.382868 0.382868 0.438073 Li\n0.118885 0.118885 0.315937 Li\n0.877888 0.877888 0.185984 Li\n0.621918 0.621918 0.055635 Li\n0.498172 0.498172 0.751666 Li\n0.997988 0.997988 0.993244 Mn\n0.750597 0.750597 0.374913 Mn\n0.749581 0.749581 0.874068 Co\n0.250347 0.250347 0.627566 Co\n0.004120 0.004120 0.519819 Co\n0.499866 0.499866 0.255242 Co\n0.249212 0.249212 0.122756 Co\n0.443958 0.443958 0.087250 O\n0.191085 0.191085 0.962825 O\n0.942035 0.942035 0.860400 O\n0.694864 0.694864 0.712817 O\n0.440562 0.440562 0.586929 O\n0.193804 0.193804 0.451530 O\n0.941636 0.941636 0.335068 O\n0.698627 0.698627 0.219419 O\n0.308654 0.308654 0.788130 O\n0.062224 0.062224 0.645849 O\n0.801028 0.801028 0.527852 O\n0.557634 0.557634 0.404781 O\n0.307219 0.307219 0.295400 O\n0.055365 0.055365 0.153026 O\n0.803637 0.803637 0.040510 O\n0.555074 0.555074 0.917319 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.159670558224908,
"density_atomic": 0.11087168295246519,
"volume": 288.6219379723819,
"volume_molar": 5.431631052792728,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.36809428,
"energy_per_atom": -6.51150294625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.85009428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9999131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.758000Z",
"spacegroup": 8
},
{
"id": "mp-1208023",
"created_at": "2022-09-04T14:41:47.631546Z",
"structure_string": "Tm6 Al24 Ru8\n1.0\n-4.388324 -7.600801 0.000000\n-4.388324 7.600801 0.000000\n0.000000 0.000000 -9.560221\nTm Al Ru\n6 24 8\ndirect\n0.805656 0.194344 0.750000 Tm\n0.194344 0.805656 0.250000 Tm\n0.388688 0.194344 0.750000 Tm\n0.611312 0.805656 0.250000 Tm\n0.805656 0.611312 0.750000 Tm\n0.194344 0.388688 0.250000 Tm\n0.666667 0.333333 0.984074 Al\n0.333333 0.666667 0.015926 Al\n0.333333 0.666667 0.484074 Al\n0.666667 0.333333 0.515926 Al\n0.838123 0.161877 0.422123 Al\n0.161877 0.838123 0.577877 Al\n0.323754 0.161877 0.422123 Al\n0.161877 0.838123 0.922123 Al\n0.676246 0.838123 0.577877 Al\n0.838123 0.161877 0.077877 Al\n0.838123 0.676246 0.422123 Al\n0.676246 0.838123 0.922123 Al\n0.161877 0.323754 0.577877 Al\n0.323754 0.161877 0.077877 Al\n0.161877 0.323754 0.922123 Al\n0.838123 0.676246 0.077877 Al\n0.439293 0.560707 0.750000 Al\n0.560707 0.439293 0.250000 Al\n0.121413 0.560707 0.750000 Al\n0.878587 0.439293 0.250000 Al\n0.439293 0.878587 0.750000 Al\n0.560707 0.121413 0.250000 Al\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.500000 0.500000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Tm",
"density": 6.430447929787499,
"density_atomic": 0.05958372106656764,
"volume": 637.7580876082907,
"volume_molar": 10.10702361685668,
"formula_full": "Tm6 Al24 Ru8",
"formula_reduced": "Tm3(Al3Ru)4",
"formula_anonymous": "A3B4C12",
"energy": -215.87061599,
"energy_per_atom": -5.680805683947368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.87061599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3120736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.673000Z",
"spacegroup": 194
},
{
"id": "mp-1065115",
"created_at": "2022-09-04T14:41:47.638305Z",
"structure_string": "Mo2 Pb2\n1.0\n-2.064562 2.064562 4.797991\n2.064562 -2.064562 4.797991\n2.064562 2.064562 -4.797991\nMo Pb\n2 2\ndirect\n0.750000 0.250000 0.500000 Mo\n0.000000 0.000000 0.000000 Mo\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mo",
"Pb"
],
"chemical_system": "Mo-Pb",
"density": 12.306854328215538,
"density_atomic": 0.04889728119214969,
"volume": 81.80413925840497,
"volume_molar": 12.31590103411892,
"formula_full": "Mo2 Pb2",
"formula_reduced": "MoPb",
"formula_anonymous": "AB",
"energy": -25.23495015,
"energy_per_atom": -6.3087375375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.23495015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2094751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.242000Z",
"spacegroup": 141
},
{
"id": "mp-1097432",
"created_at": "2022-09-04T14:41:47.641377Z",
"structure_string": "Hf2 In1 Mo1\n1.0\n-5.220392 5.991354 8.557942\n5.220392 -5.991354 8.557942\n5.220392 5.991354 -8.557942\nHf In Mo\n2 1 1\ndirect\n0.000000 0.221702 0.221702 Hf\n0.000000 0.778298 0.778298 Hf\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Mo"
],
"chemical_system": "Hf-In-Mo",
"density": 0.880520830812476,
"density_atomic": 0.003735962987925661,
"volume": 1070.6744185977445,
"volume_molar": 161.1938014231695,
"formula_full": "Hf2 In1 Mo1",
"formula_reduced": "Hf2InMo",
"formula_anonymous": "ABC2",
"energy": -19.74972475,
"energy_per_atom": -4.9374311875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74972475,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.4567644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.900000Z",
"spacegroup": 71
},
{
"id": "mp-1185321",
"created_at": "2022-09-04T14:41:47.659005Z",
"structure_string": "Li1 Al2 Au1\n1.0\n0.000000 3.127433 3.127433\n3.127433 0.000000 3.127433\n3.127433 3.127433 0.000000\nLi Al Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Al\n0.250000 0.250000 0.250000 Al\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Al",
"Au"
],
"chemical_system": "Al-Au-Li",
"density": 6.999338013475425,
"density_atomic": 0.06538316691670706,
"volume": 61.17782586297297,
"volume_molar": 9.210536968439794,
"formula_full": "Li1 Al2 Au1",
"formula_reduced": "LiAl2Au",
"formula_anonymous": "ABC2",
"energy": -14.09187887,
"energy_per_atom": -3.5229697175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.09187887,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.535000Z",
"spacegroup": 225
},
{
"id": "mp-716814",
"created_at": "2022-09-04T14:41:47.665950Z",
"structure_string": "Fe12 O18\n1.0\n2.693764 -4.665736 0.000000\n2.693764 4.665736 0.000000\n0.000000 0.000000 14.810113\nFe O\n12 18\ndirect\n0.025297 0.647677 0.233543 Fe\n0.622380 0.974703 0.233543 Fe\n0.352323 0.377620 0.233543 Fe\n0.387443 0.999996 0.730571 Fe\n0.612553 0.612557 0.730571 Fe\n0.000004 0.387447 0.730571 Fe\n0.000000 0.000000 0.913809 Fe\n0.000000 0.000000 0.079339 Fe\n0.000000 0.000000 0.584190 Fe\n0.333333 0.666667 0.939726 Fe\n0.666667 0.333333 0.940829 Fe\n0.000000 0.000000 0.414664 Fe\n0.309915 0.016686 0.176531 O\n0.706771 0.690085 0.176531 O\n0.983314 0.293229 0.176531 O\n0.641018 0.637129 0.860012 O\n0.996111 0.358982 0.860012 O\n0.362871 0.003889 0.860012 O\n0.005939 0.692252 0.000936 O\n0.307748 0.313686 0.000936 O\n0.686314 0.994061 0.000936 O\n0.998130 0.259049 0.508150 O\n0.740951 0.739081 0.508150 O\n0.260919 0.001870 0.508150 O\n0.000177 0.714792 0.680635 O\n0.285208 0.285385 0.680635 O\n0.714615 0.999823 0.680635 O\n0.702160 0.000414 0.352070 O\n0.298253 0.297840 0.352070 O\n0.999586 0.701747 0.352070 O\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.2737104954535265,
"density_atomic": 0.08058480895897316,
"volume": 372.27860173092193,
"volume_molar": 7.473047138531972,
"formula_full": "Fe12 O18",
"formula_reduced": "Fe2O3",
"formula_anonymous": "A2B3",
"energy": -226.82485334,
"energy_per_atom": -7.560828444666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.38685334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 52.0000046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.373000Z",
"spacegroup": 143
},
{
"id": "mp-29930",
"created_at": "2022-09-04T14:41:48.472508Z",
"structure_string": "Na5 Li1 N2\n1.0\n4.429271 0.000000 0.000000\n0.000000 4.400267 0.000000\n0.000000 0.000650 7.672752\nNa Li N\n5 1 2\ndirect\n0.500000 0.394826 0.044142 Na\n0.000000 0.592925 0.881945 Na\n0.500000 0.591395 0.372126 Na\n0.000000 0.419179 0.543282 Na\n0.500000 0.001611 0.706005 Na\n0.000000 0.998592 0.212706 Li\n0.500000 0.501814 0.711640 N\n0.000000 0.496658 0.211153 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Li",
"N"
],
"chemical_system": "Li-N-Na",
"density": 1.66455324715638,
"density_atomic": 0.05349676782105997,
"volume": 149.54174477903047,
"volume_molar": 11.257017956941457,
"formula_full": "Na5 Li1 N2",
"formula_reduced": "Na5LiN2",
"formula_anonymous": "AB2C5",
"energy": -24.26317929,
"energy_per_atom": -3.03289741125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.54117929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.948000Z",
"spacegroup": 6
},
{
"id": "mp-128",
"created_at": "2022-09-04T14:41:48.483009Z",
"structure_string": "Ge8\n1.0\n3.511326 -5.012402 0.000000\n3.511326 5.012402 0.000000\n-3.643856 0.000000 4.916898\nGe\n8\ndirect\n0.285519 0.285519 0.285519 Ge\n0.714481 0.714481 0.714481 Ge\n0.973070 0.469947 0.278233 Ge\n0.469947 0.278233 0.973070 Ge\n0.278233 0.973070 0.469947 Ge\n0.026930 0.530053 0.721767 Ge\n0.530053 0.721767 0.026930 Ge\n0.721767 0.026930 0.530053 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.575408314245141,
"density_atomic": 0.04622232058708929,
"volume": 173.07655475511848,
"volume_molar": 13.028642187389636,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -35.80346761,
"energy_per_atom": -4.47543345125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.80346761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.585000Z",
"spacegroup": 148
},
{
"id": "mp-1105501",
"created_at": "2022-09-04T14:41:48.492056Z",
"structure_string": "Dy12 Rh4\n1.0\n0.000000 0.000000 6.255324\n7.140850 0.000000 0.000000\n0.000000 9.532853 0.000000\nDy Rh\n12 4\ndirect\n0.330511 0.677793 0.062849 Dy\n0.169489 0.177793 0.437151 Dy\n0.669489 0.322207 0.562849 Dy\n0.830511 0.822207 0.937151 Dy\n0.669489 0.322207 0.937151 Dy\n0.830511 0.822207 0.562849 Dy\n0.330511 0.677793 0.437151 Dy\n0.169489 0.177793 0.062849 Dy\n0.866459 0.531229 0.250000 Dy\n0.633541 0.031229 0.250000 Dy\n0.133541 0.468771 0.750000 Dy\n0.366459 0.968771 0.750000 Dy\n0.061012 0.882411 0.250000 Rh\n0.438988 0.382411 0.250000 Rh\n0.938988 0.117589 0.750000 Rh\n0.561012 0.617589 0.750000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Rh"
],
"chemical_system": "Dy-Rh",
"density": 9.209517289704213,
"density_atomic": 0.03757485963082567,
"volume": 425.8166273194516,
"volume_molar": 16.027047922913745,
"formula_full": "Dy12 Rh4",
"formula_reduced": "Dy3Rh",
"formula_anonymous": "AB3",
"energy": -93.07304963,
"energy_per_atom": -5.817065601875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -93.07304963,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0256901,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.885000Z",
"spacegroup": 62
},
{
"id": "mp-17304",
"created_at": "2022-09-04T14:41:48.504305Z",
"structure_string": "Ba8 Ru6 O20\n1.0\n2.934969 -6.696688 0.000000\n2.934969 6.696688 0.000000\n0.000000 0.000000 13.302910\nBa Ru O\n8 6 20\ndirect\n0.965386 0.034614 0.639494 Ba\n0.034614 0.965386 0.360506 Ba\n0.534614 0.465386 0.139494 Ba\n0.465386 0.534614 0.860506 Ba\n0.259628 0.740372 0.613100 Ba\n0.740372 0.259628 0.386900 Ba\n0.240372 0.759628 0.113100 Ba\n0.759628 0.240372 0.886900 Ba\n0.624151 0.375849 0.649113 Ru\n0.375849 0.624151 0.350887 Ru\n0.875849 0.124151 0.149113 Ru\n0.124151 0.875849 0.850887 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.769427 0.230573 0.650315 O\n0.230573 0.769427 0.349685 O\n0.730573 0.269427 0.150315 O\n0.269427 0.730573 0.849685 O\n0.620762 0.840695 0.464785 O\n0.840695 0.620762 0.535215 O\n0.879238 0.659305 0.964785 O\n0.659305 0.879238 0.035215 O\n0.379238 0.159305 0.535215 O\n0.159305 0.379238 0.464785 O\n0.120762 0.340695 0.035215 O\n0.340695 0.120762 0.964785 O\n0.464808 0.535192 0.649861 O\n0.535192 0.464808 0.350139 O\n0.369346 0.130654 0.750000 O\n0.130654 0.369346 0.250000 O\n0.630654 0.869346 0.250000 O\n0.869346 0.630654 0.750000 O\n0.964808 0.035192 0.850139 O\n0.035192 0.964808 0.149861 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"Ru",
"O"
],
"chemical_system": "Ba-O-Ru",
"density": 6.4304155581650235,
"density_atomic": 0.06501876027633112,
"volume": 522.9259963662684,
"volume_molar": 9.26215869759093,
"formula_full": "Ba8 Ru6 O20",
"formula_reduced": "Ba4Ru3O10",
"formula_anonymous": "A3B4C10",
"energy": -247.82788563,
"energy_per_atom": -7.2890554597058825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.08788563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9963734,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.128000Z",
"spacegroup": 64
},
{
"id": "mp-1183582",
"created_at": "2022-09-04T14:41:48.516251Z",
"structure_string": "Ca1 Yb1 Pb2\n1.0\n0.000000 3.931350 3.931350\n3.931350 0.000000 3.931350\n3.931350 3.931350 0.000000\nCa Yb Pb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Yb\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Yb",
"Pb"
],
"chemical_system": "Ca-Pb-Yb",
"density": 8.574724196200851,
"density_atomic": 0.032915834194744656,
"volume": 121.52206066947076,
"volume_molar": 18.295573869920318,
"formula_full": "Ca1 Yb1 Pb2",
"formula_reduced": "CaYbPb2",
"formula_anonymous": "ABC2",
"energy": -13.02465333,
"energy_per_atom": -3.2561633325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.02465333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0094959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.545000Z",
"spacegroup": 225
},
{
"id": "mp-1210538",
"created_at": "2022-09-04T14:41:48.519457Z",
"structure_string": "N2 Cl2 O4\n1.0\n6.271663 0.000000 0.000000\n0.000000 6.271663 0.000000\n0.000000 0.000000 3.872107\nN Cl O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.410561 Cl\n0.500000 0.000000 0.589439 Cl\n0.642165 0.857835 0.383281 O\n0.357835 0.142165 0.383281 O\n0.142165 0.642165 0.616719 O\n0.857835 0.357835 0.616719 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.7762444083727513,
"density_atomic": 0.052526348288172334,
"volume": 152.30451498569923,
"volume_molar": 11.464990345342628,
"formula_full": "N2 Cl2 O4",
"formula_reduced": "NClO2",
"formula_anonymous": "ABC2",
"energy": -32.39677474,
"energy_per_atom": -4.0495968425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.92677474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000604,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.962000Z",
"spacegroup": 113
}
]
}