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=12194",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12192",
"results": [
{
"id": "mp-865015",
"created_at": "2022-09-04T14:42:21.425195Z",
"structure_string": "Mn1 Si1 Rh2\n1.0\n0.000000 3.001653 3.001653\n3.001653 0.000000 3.001653\n3.001653 3.001653 0.000000\nMn Si Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Rh"
],
"chemical_system": "Mn-Rh-Si",
"density": 8.867205649007555,
"density_atomic": 0.07395176443959554,
"volume": 54.08931119239535,
"volume_molar": 8.143336140301207,
"formula_full": "Mn1 Si1 Rh2",
"formula_reduced": "MnSiRh2",
"formula_anonymous": "ABC2",
"energy": -31.62473681,
"energy_per_atom": -7.9061842025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.62473681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6796057,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.308000Z",
"spacegroup": 225
},
{
"id": "mp-1220418",
"created_at": "2022-09-04T14:42:21.425545Z",
"structure_string": "Nb6 Ru1 Rh1\n1.0\n5.181159 0.000000 0.000000\n0.000000 5.181159 0.000000\n0.000000 0.000000 5.181159\nNb Ru Rh\n6 1 1\ndirect\n0.000000 0.500000 0.750876 Nb\n0.500000 0.249124 0.000000 Nb\n0.750876 0.000000 0.500000 Nb\n0.000000 0.500000 0.249124 Nb\n0.500000 0.750876 0.000000 Nb\n0.249124 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Ru",
"Rh"
],
"chemical_system": "Nb-Rh-Ru",
"density": 9.090527173014216,
"density_atomic": 0.05751872180449898,
"volume": 139.08514913094362,
"volume_molar": 10.469879321151678,
"formula_full": "Nb6 Ru1 Rh1",
"formula_reduced": "Nb6RuRh",
"formula_anonymous": "ABC6",
"energy": -79.00033442,
"energy_per_atom": -9.8750418025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.00033442,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.539000Z",
"spacegroup": 200
},
{
"id": "mp-1025521",
"created_at": "2022-09-04T14:42:20.595522Z",
"structure_string": "Ce2 Si4 Ru2\n1.0\n4.086952 0.000000 0.000000\n0.000000 4.452054 0.000000\n0.000000 1.816649 8.041260\nCe Si Ru\n2 4 2\ndirect\n0.250000 0.589175 0.800794 Ce\n0.750000 0.410825 0.199206 Ce\n0.250000 0.961849 0.088432 Si\n0.750000 0.038151 0.911568 Si\n0.250000 0.334771 0.492131 Si\n0.750000 0.665229 0.507869 Si\n0.250000 0.885974 0.385806 Ru\n0.750000 0.114026 0.614194 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Ru"
],
"chemical_system": "Ce-Ru-Si",
"density": 6.749524758633995,
"density_atomic": 0.05467715664826527,
"volume": 146.3133873522996,
"volume_molar": 11.013997671349397,
"formula_full": "Ce2 Si4 Ru2",
"formula_reduced": "CeSi2Ru",
"formula_anonymous": "ABC2",
"energy": -58.41444984,
"energy_per_atom": -7.30180623,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.69844984,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.4208209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:46.452000Z",
"spacegroup": 11
},
{
"id": "mp-975236",
"created_at": "2022-09-04T14:42:26.995663Z",
"structure_string": "Rb1 Pt1 O3\n1.0\n4.105072 0.000000 0.000000\n0.000000 4.105072 0.000000\n0.000000 0.000000 4.105072\nRb Pt O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"O"
],
"chemical_system": "O-Pt-Rb",
"density": 7.8865712781699315,
"density_atomic": 0.0722782565322255,
"volume": 69.17709751024132,
"volume_molar": 8.331884371498376,
"formula_full": "Rb1 Pt1 O3",
"formula_reduced": "RbPtO3",
"formula_anonymous": "ABC3",
"energy": -26.34023198,
"energy_per_atom": -5.268046396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.27923198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7383094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.369000Z",
"spacegroup": 221
},
{
"id": "mp-1078911",
"created_at": "2022-09-04T14:42:21.436506Z",
"structure_string": "Tm3 Sn3 Pd3\n1.0\n3.822437 -6.620656 0.000000\n3.822437 6.620656 0.000000\n0.000000 0.000000 3.815950\nTm Sn Pd\n3 3 3\ndirect\n0.000000 0.400559 0.500000 Tm\n0.599441 0.599441 0.500000 Tm\n0.400559 0.000000 0.500000 Tm\n0.000000 0.736074 0.000000 Sn\n0.263926 0.263926 0.000000 Sn\n0.736074 0.000000 0.000000 Sn\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tm",
"Sn",
"Pd"
],
"chemical_system": "Pd-Sn-Tm",
"density": 10.163968593149265,
"density_atomic": 0.04659812894653629,
"volume": 193.14080207653882,
"volume_molar": 12.923567740046858,
"formula_full": "Tm3 Sn3 Pd3",
"formula_reduced": "TmSnPd",
"formula_anonymous": "ABC",
"energy": -49.30913345,
"energy_per_atom": -5.478792605555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.30913345,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008708,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.108000Z",
"spacegroup": 189
},
{
"id": "mp-1078316",
"created_at": "2022-09-04T14:42:20.604634Z",
"structure_string": "Ce4 Al2 Ru4\n1.0\n2.984212 -5.015672 0.000000\n2.984212 5.015672 0.000000\n0.000000 0.000000 6.928840\nCe Al Ru\n4 2 4\ndirect\n0.339396 0.660604 0.080572 Ce\n0.660604 0.339396 0.919428 Ce\n0.160604 0.839396 0.580572 Ce\n0.839396 0.160604 0.419428 Ce\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.868261 0.631739 0.250000 Ru\n0.631739 0.868261 0.750000 Ru\n0.131739 0.368261 0.750000 Ru\n0.368261 0.131739 0.250000 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Ru"
],
"chemical_system": "Al-Ce-Ru",
"density": 8.15547182877317,
"density_atomic": 0.04821150302504169,
"volume": 207.41937862434756,
"volume_molar": 12.491086944275562,
"formula_full": "Ce4 Al2 Ru4",
"formula_reduced": "Ce2AlRu2",
"formula_anonymous": "AB2C2",
"energy": -73.48753606,
"energy_per_atom": -7.348753606,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.48753606,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0242326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.424000Z",
"spacegroup": 64
},
{
"id": "mp-1215293",
"created_at": "2022-09-04T14:42:20.599194Z",
"structure_string": "Zr3 Mn9\n1.0\n2.435204 -4.217898 0.000000\n2.435204 4.217898 0.000000\n0.000000 0.000000 7.989350\nZr Mn\n3 9\ndirect\n0.666667 0.333333 0.553453 Zr\n0.666667 0.333333 0.935281 Zr\n0.000000 0.000000 0.073783 Zr\n0.333333 0.666667 0.501042 Mn\n0.333333 0.666667 0.003295 Mn\n0.992268 0.496134 0.258004 Mn\n0.503866 0.496134 0.258004 Mn\n0.503866 0.007732 0.258004 Mn\n0.677058 0.838529 0.742967 Mn\n0.161471 0.838529 0.742967 Mn\n0.161471 0.322942 0.742967 Mn\n0.000000 0.000000 0.430284 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.771451531156703,
"density_atomic": 0.07311531939773977,
"volume": 164.12429158274261,
"volume_molar": 8.236496550387994,
"formula_full": "Zr3 Mn9",
"formula_reduced": "ZrMn3",
"formula_anonymous": "AB3",
"energy": -108.73935337999998,
"energy_per_atom": -9.061612781666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.73935337999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7513328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.930000Z",
"spacegroup": 156
},
{
"id": "mp-1206949",
"created_at": "2022-09-04T14:42:21.442849Z",
"structure_string": "Dy2 Br2 O1\n1.0\n4.085217 0.000000 0.000000\n0.000000 4.085217 0.000000\n0.000000 0.000000 13.256811\nDy Br O\n2 2 1\ndirect\n0.500000 0.500000 0.155065 Dy\n0.500000 0.500000 0.844935 Dy\n0.500000 0.500000 0.647923 Br\n0.500000 0.500000 0.352077 Br\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Dy",
"Br",
"O"
],
"chemical_system": "Br-Dy-O",
"density": 3.7588111742804027,
"density_atomic": 0.022599596161718086,
"volume": 221.2428914313788,
"volume_molar": 26.647116686983217,
"formula_full": "Dy2 Br2 O1",
"formula_reduced": "Dy2Br2O",
"formula_anonymous": "AB2C2",
"energy": -25.11036703,
"energy_per_atom": -5.022073406,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.35536703,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018518,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.523000Z",
"spacegroup": 123
},
{
"id": "mp-771355",
"created_at": "2022-09-04T14:42:20.582367Z",
"structure_string": "Li10 Ti4 Mn16 O40\n1.0\n2.920489 5.302065 0.000000\n-2.920489 5.302065 0.000000\n0.000000 4.845952 24.341060\nLi Ti Mn O\n10 4 16 40\ndirect\n0.482587 0.482587 0.575596 Li\n0.517413 0.517413 0.424404 Li\n0.127867 0.127867 0.625769 Li\n0.872133 0.872133 0.374231 Li\n0.931749 0.931749 0.225212 Li\n0.275919 0.275919 0.175424 Li\n0.322577 0.322577 0.022486 Li\n0.068251 0.068251 0.774788 Li\n0.677423 0.677423 0.977514 Li\n0.724081 0.724081 0.824576 Li\n0.811922 0.811922 0.598439 Ti\n0.188078 0.188078 0.401561 Ti\n0.798353 0.798353 0.099805 Ti\n0.201647 0.201647 0.900195 Ti\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.401699 0.401699 0.300287 Mn\n0.605427 0.605427 0.199785 Mn\n0.404656 0.901816 0.300090 Mn\n0.298850 0.795434 0.099866 Mn\n0.901816 0.404656 0.300090 Mn\n0.795434 0.298850 0.099866 Mn\n0.000000 0.000000 0.000000 Mn\n0.701150 0.204566 0.900134 Mn\n0.204566 0.701150 0.900134 Mn\n0.598301 0.598301 0.699713 Mn\n0.394573 0.394573 0.800215 Mn\n0.098184 0.595344 0.699910 Mn\n0.595344 0.098184 0.699910 Mn\n0.319740 0.873274 0.448811 O\n0.873274 0.319740 0.448811 O\n0.126726 0.680260 0.551189 O\n0.680260 0.126726 0.551189 O\n0.068448 0.068448 0.346618 O\n0.843078 0.843078 0.458049 O\n0.675472 0.675472 0.551582 O\n0.565323 0.565323 0.343363 O\n0.324528 0.324528 0.448418 O\n0.156922 0.156922 0.541951 O\n0.743930 0.292204 0.255709 O\n0.292204 0.743930 0.255709 O\n0.061136 0.512478 0.344973 O\n0.512478 0.061136 0.344973 O\n0.239161 0.239161 0.257190 O\n0.467036 0.467036 0.147839 O\n0.948730 0.948730 0.141389 O\n0.738850 0.738850 0.256294 O\n0.121068 0.679596 0.049134 O\n0.679596 0.121068 0.049134 O\n0.477047 0.923225 0.148998 O\n0.923225 0.477047 0.148998 O\n0.320404 0.878932 0.950866 O\n0.878932 0.320404 0.950866 O\n0.876166 0.876166 0.950223 O\n0.051270 0.051270 0.858611 O\n0.648992 0.648992 0.059330 O\n0.532964 0.532964 0.852161 O\n0.123834 0.123834 0.049777 O\n0.351008 0.351008 0.940670 O\n0.522953 0.076775 0.851002 O\n0.076775 0.522953 0.851002 O\n0.707796 0.256070 0.744291 O\n0.256070 0.707796 0.744291 O\n0.261150 0.261150 0.743706 O\n0.434677 0.434677 0.656637 O\n0.760839 0.760839 0.742810 O\n0.931552 0.931552 0.653382 O\n0.487522 0.938864 0.655027 O\n0.938864 0.487522 0.655027 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 3.9207170307057124,
"density_atomic": 0.0928598408591814,
"volume": 753.8242511760544,
"volume_molar": 6.48519392697685,
"formula_full": "Li10 Ti4 Mn16 O40",
"formula_reduced": "Li5Ti2Mn8O20",
"formula_anonymous": "A2B5C8D20",
"energy": -558.09730041,
"energy_per_atom": -7.9728185772857145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -503.92930041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 58.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.094000Z",
"spacegroup": 12
},
{
"id": "mp-569668",
"created_at": "2022-09-04T14:42:21.489562Z",
"structure_string": "V2 Se2\n1.0\n1.736937 -3.008463 0.000000\n1.736937 3.008463 0.000000\n0.000000 0.000000 6.806614\nV Se\n2 2\ndirect\n0.333333 0.666667 0.250000 V\n0.666667 0.333333 0.750000 V\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Se"
],
"chemical_system": "Se-V",
"density": 6.064617288216195,
"density_atomic": 0.05623026520523417,
"volume": 71.13606854601251,
"volume_molar": 10.709785447427397,
"formula_full": "V2 Se2",
"formula_reduced": "VSe",
"formula_anonymous": "AB",
"energy": -27.02872276,
"energy_per_atom": -6.75718069,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.08472276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.814195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.539000Z",
"spacegroup": 194
},
{
"id": "mp-675589",
"created_at": "2022-09-04T14:42:20.582043Z",
"structure_string": "Li4 Cu2 P2\n1.0\n2.008250 -3.478391 0.000000\n2.008250 3.478391 0.000000\n0.000000 0.000000 7.386755\nLi Cu P\n4 2 2\ndirect\n0.333333 0.666667 0.405498 Li\n0.333333 0.666667 0.090468 Li\n0.666667 0.333333 0.909532 Li\n0.666667 0.333333 0.594502 Li\n0.000000 0.000000 0.755387 Cu\n0.000000 0.000000 0.244613 Cu\n0.333333 0.666667 0.748427 P\n0.666667 0.333333 0.251573 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cu",
"P"
],
"chemical_system": "Cu-Li-P",
"density": 3.4884746366625907,
"density_atomic": 0.07751934994168055,
"volume": 103.20003980965487,
"volume_molar": 7.768564577141815,
"formula_full": "Li4 Cu2 P2",
"formula_reduced": "Li2CuP",
"formula_anonymous": "ABC2",
"energy": -31.01734623,
"energy_per_atom": -3.87716827875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.01734623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.344000Z",
"spacegroup": 164
},
{
"id": "mp-862948",
"created_at": "2022-09-04T14:42:21.495950Z",
"structure_string": "Li2 Pm1 Pb1\n1.0\n0.000000 3.496984 3.496984\n3.496984 0.000000 3.496984\n3.496984 3.496984 0.000000\nLi Pm Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pm",
"Pb"
],
"chemical_system": "Li-Pb-Pm",
"density": 7.107494650376074,
"density_atomic": 0.04676802820166332,
"volume": 85.52851496650737,
"volume_molar": 12.876618903051853,
"formula_full": "Li2 Pm1 Pb1",
"formula_reduced": "Li2PmPb",
"formula_anonymous": "ABC2",
"energy": -13.6331561,
"energy_per_atom": -3.408289025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.6331561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.742000Z",
"spacegroup": 225
}
]
}