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=-decomposes_to&page=19",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=17",
"results": [
{
"id": "mp-1096880",
"created_at": "2022-09-04T14:40:28.274783Z",
"structure_string": "Ca2 Zn2 Pb2\n1.0\n2.405856 -4.167065 0.000000\n2.405856 4.167065 0.000000\n0.000000 0.000000 7.690777\nCa Zn Pb\n2 2 2\ndirect\n0.000000 0.000000 0.989808 Ca\n0.000000 0.000000 0.489808 Ca\n0.666667 0.333333 0.302550 Zn\n0.333333 0.666667 0.802550 Zn\n0.666667 0.333333 0.707642 Pb\n0.333333 0.666667 0.207642 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Pb"
],
"chemical_system": "Ca-Pb-Zn",
"density": 6.734243255679157,
"density_atomic": 0.03890909517676975,
"volume": 154.2055905628521,
"volume_molar": 15.477462872473717,
"formula_full": "Ca2 Zn2 Pb2",
"formula_reduced": "CaZnPb",
"formula_anonymous": "ABC",
"energy": -16.21816462,
"energy_per_atom": -2.7030274366666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.21816462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004247,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.535000Z",
"spacegroup": 186
},
{
"id": "mp-1195760",
"created_at": "2022-09-04T14:40:28.279127Z",
"structure_string": "Tm8 Re4 B24\n1.0\n3.635284 0.000000 0.000000\n0.000000 9.100422 0.000000\n0.000000 0.000000 11.469222\nTm Re B\n8 4 24\ndirect\n0.000000 0.323932 0.413847 Tm\n0.000000 0.676068 0.586153 Tm\n0.000000 0.823932 0.086153 Tm\n0.000000 0.176068 0.913847 Tm\n0.000000 0.943837 0.370253 Tm\n0.000000 0.056163 0.629747 Tm\n0.000000 0.443837 0.129747 Tm\n0.000000 0.556163 0.870253 Tm\n0.000000 0.638943 0.320873 Re\n0.000000 0.361057 0.679127 Re\n0.000000 0.138943 0.179127 Re\n0.000000 0.861057 0.820873 Re\n0.500000 0.553377 0.433329 B\n0.500000 0.446623 0.566671 B\n0.500000 0.053377 0.066671 B\n0.500000 0.946623 0.933329 B\n0.500000 0.750657 0.419861 B\n0.500000 0.249343 0.580139 B\n0.500000 0.250657 0.080139 B\n0.500000 0.749343 0.919861 B\n0.500000 0.793482 0.265583 B\n0.500000 0.206518 0.734417 B\n0.500000 0.293482 0.234417 B\n0.500000 0.706518 0.765583 B\n0.500000 0.631567 0.185154 B\n0.500000 0.368433 0.814846 B\n0.500000 0.131567 0.314846 B\n0.500000 0.868433 0.685154 B\n0.500000 0.982208 0.212289 B\n0.500000 0.017792 0.787711 B\n0.500000 0.482208 0.287711 B\n0.500000 0.517792 0.712289 B\n0.500000 0.599842 0.027894 B\n0.500000 0.400158 0.972106 B\n0.500000 0.099842 0.472106 B\n0.500000 0.900158 0.527894 B\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tm",
"Re",
"B"
],
"chemical_system": "B-Re-Tm",
"density": 10.30973143450049,
"density_atomic": 0.09487868679033144,
"volume": 379.43189580137147,
"volume_molar": 6.3472007926375325,
"formula_full": "Tm8 Re4 B24",
"formula_reduced": "Tm2ReB6",
"formula_anonymous": "AB2C6",
"energy": -270.24388531,
"energy_per_atom": -7.506774591944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.24388531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027563,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.207000Z",
"spacegroup": 55
},
{
"id": "mp-1200396",
"created_at": "2022-09-04T14:40:28.277349Z",
"structure_string": "Mg6 Si8 O24\n1.0\n4.633251 2.693776 0.000000\n-4.633251 2.693776 0.000000\n0.000000 1.998923 19.222508\nMg Si O\n6 8 24\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.145911 0.322902 0.500124 Mg\n0.677098 0.854089 0.999876 Mg\n0.854089 0.677098 0.499876 Mg\n0.322902 0.145911 0.000124 Mg\n0.885700 0.385777 0.354960 Si\n0.614223 0.114300 0.145040 Si\n0.114300 0.614223 0.645040 Si\n0.385777 0.885700 0.854960 Si\n0.219231 0.052454 0.354992 Si\n0.947546 0.780769 0.145008 Si\n0.780769 0.947546 0.645008 Si\n0.052454 0.219231 0.854992 Si\n0.855918 0.351109 0.440867 O\n0.648891 0.144082 0.059133 O\n0.144082 0.648891 0.559133 O\n0.351109 0.855918 0.940867 O\n0.187264 0.017754 0.440909 O\n0.982246 0.812736 0.059091 O\n0.812736 0.982246 0.559091 O\n0.017754 0.187264 0.940909 O\n0.515312 0.666056 0.455922 O\n0.333944 0.484688 0.044078 O\n0.484688 0.333944 0.544078 O\n0.666056 0.515312 0.955922 O\n0.562541 0.225980 0.327324 O\n0.774020 0.437459 0.172676 O\n0.437459 0.774020 0.672676 O\n0.225980 0.562541 0.827324 O\n0.058584 0.729163 0.327368 O\n0.270837 0.941416 0.172632 O\n0.941416 0.270837 0.672632 O\n0.729163 0.058584 0.827368 O\n0.066739 0.233230 0.326416 O\n0.766770 0.933261 0.173584 O\n0.933261 0.766770 0.673584 O\n0.233230 0.066739 0.826416 O\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 2.6110834852429345,
"density_atomic": 0.07919472283454838,
"volume": 479.8299512884039,
"volume_molar": 7.604219756638715,
"formula_full": "Mg6 Si8 O24",
"formula_reduced": "Mg3(SiO3)4",
"formula_anonymous": "A3B4C12",
"energy": -284.39924346,
"energy_per_atom": -7.48419061736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.91124346,
"band_gap": 0.1022,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999371,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.775000Z",
"spacegroup": 15
},
{
"id": "mp-1096136",
"created_at": "2022-09-04T14:40:28.280102Z",
"structure_string": "Zr2 Ru1 Rh1\n1.0\n-4.578348 5.473377 7.714301\n4.578348 -5.473377 7.714301\n4.578348 5.473377 -7.714301\nZr Ru Rh\n2 1 1\ndirect\n0.000000 0.245815 0.245815 Zr\n0.000000 0.754185 0.754185 Zr\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ru",
"Rh"
],
"chemical_system": "Rh-Ru-Zr",
"density": 0.8298352756047692,
"density_atomic": 0.005172961622709077,
"volume": 773.2514353944118,
"volume_molar": 116.41572467042985,
"formula_full": "Zr2 Ru1 Rh1",
"formula_reduced": "Zr2RuRh",
"formula_anonymous": "ABC2",
"energy": -22.67506159,
"energy_per_atom": -5.6687653975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.67506159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2420571,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.014000Z",
"spacegroup": 71
},
{
"id": "mp-20074",
"created_at": "2022-09-04T14:40:28.297718Z",
"structure_string": "Sr2 In4\n1.0\n2.548326 -4.413830 0.000000\n2.548326 4.413830 0.000000\n0.000000 0.000000 8.127298\nSr In\n2 4\ndirect\n0.000000 0.000000 0.750000 Sr\n0.000000 0.000000 0.250000 Sr\n0.333333 0.666667 0.954584 In\n0.666667 0.333333 0.454584 In\n0.333333 0.666667 0.545416 In\n0.666667 0.333333 0.045416 In\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"In"
],
"chemical_system": "In-Sr",
"density": 5.762914418808582,
"density_atomic": 0.032817423623091965,
"volume": 182.82970866055746,
"volume_molar": 18.350437344394468,
"formula_full": "Sr2 In4",
"formula_reduced": "SrIn2",
"formula_anonymous": "AB2",
"energy": -17.06771758,
"energy_per_atom": -2.8446195966666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.06771758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084636,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.023000Z",
"spacegroup": 194
},
{
"id": "mp-1034024",
"created_at": "2022-09-04T14:40:28.299811Z",
"structure_string": "Mg14 Ti1 B1 O16\n1.0\n8.572135 0.000000 0.000000\n0.000000 8.572135 -0.000000\n0.000000 -0.000000 4.246377\nMg Ti B O\n14 1 1 16\ndirect\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.254476 0.500000 Mg\n0.000000 0.745524 0.500000 Mg\n0.500000 0.254345 0.500000 Mg\n0.500000 0.745655 0.500000 Mg\n0.254476 0.000000 0.500000 Mg\n0.254345 0.500000 0.500000 Mg\n0.745524 0.000000 0.500000 Mg\n0.745655 0.500000 0.500000 Mg\n0.256704 0.256704 -0.000000 Mg\n0.256704 0.743296 0.000000 Mg\n0.743296 0.256704 -0.000000 Mg\n0.743296 0.743296 0.000000 Mg\n0.000000 0.000000 -0.000000 Ti\n0.500000 0.500000 -0.000000 B\n0.245277 0.000000 -0.000000 O\n0.236458 0.500000 -0.000000 O\n0.754723 0.000000 0.000000 O\n0.763542 0.500000 0.000000 O\n0.249553 0.249553 0.500000 O\n0.249553 0.750447 0.500000 O\n0.750447 0.249553 0.500000 O\n0.750447 0.750447 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.245277 -0.000000 O\n0.000000 0.754723 0.000000 O\n0.500000 0.236458 0.000000 O\n0.500000 0.763542 -0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"B",
"O"
],
"chemical_system": "B-Mg-O-Ti",
"density": 3.4854029872379377,
"density_atomic": 0.10255419392956601,
"volume": 312.03014497854207,
"volume_molar": 5.872154545074962,
"formula_full": "Mg14 Ti1 B1 O16",
"formula_reduced": "Mg14TiBO16",
"formula_anonymous": "ABC14D16",
"energy": -205.23699063,
"energy_per_atom": -6.4136559571875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.24499063,
"band_gap": 1.1077000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.0972999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.336000Z",
"spacegroup": 123
},
{
"id": "mp-754774",
"created_at": "2022-09-04T14:40:28.325537Z",
"structure_string": "Li2 Mn3 Co3 O12\n1.0\n-5.694721 0.000000 0.000000\n-0.225170 -5.989084 0.000000\n1.579273 1.965375 6.261474\nLi Mn Co O\n2 3 3 12\ndirect\n0.196835 0.693786 0.689681 Li\n0.803165 0.306214 0.310319 Li\n0.000000 0.500000 0.000000 Mn\n0.331054 0.840608 0.329096 Mn\n0.668946 0.159392 0.670904 Mn\n0.500000 0.500000 0.000000 Co\n0.832906 0.834352 0.333136 Co\n0.167094 0.165648 0.666864 Co\n0.248755 0.720427 0.015499 O\n0.745047 0.717769 0.027326 O\n0.084735 0.612389 0.310618 O\n0.411907 0.936668 0.636241 O\n0.583630 0.610510 0.303271 O\n0.922288 0.939903 0.640534 O\n0.077712 0.060097 0.359466 O\n0.416370 0.389490 0.696729 O\n0.588093 0.063332 0.363759 O\n0.915265 0.387611 0.689382 O\n0.254953 0.282231 0.972674 O\n0.751245 0.279573 0.984501 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.257108087657936,
"density_atomic": 0.09365275510533105,
"volume": 213.55484926744592,
"volume_molar": 6.43028681134571,
"formula_full": "Li2 Mn3 Co3 O12",
"formula_reduced": "Li2Mn3(CoO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -145.72468353,
"energy_per_atom": -7.2862341765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.56268353,
"band_gap": 0.7852999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0000513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.031000Z",
"spacegroup": 2
},
{
"id": "mp-1225280",
"created_at": "2022-09-04T14:40:28.326208Z",
"structure_string": "Dy1 Cu1 Si1\n1.0\n2.034684 -3.524176 0.000000\n2.034684 3.524176 0.000000\n0.000000 0.000000 3.949425\nDy Cu Si\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.500000 Cu\n0.000000 0.000000 0.500000 Si\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Dy",
"Cu",
"Si"
],
"chemical_system": "Cu-Dy-Si",
"density": 7.450564374894485,
"density_atomic": 0.05296668939808116,
"volume": 56.63937153883516,
"volume_molar": 11.36967559882677,
"formula_full": "Dy1 Cu1 Si1",
"formula_reduced": "DyCuSi",
"formula_anonymous": "ABC",
"energy": -15.96698412,
"energy_per_atom": -5.3223280399999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.03798412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.370000Z",
"spacegroup": 187
},
{
"id": "mp-1195748",
"created_at": "2022-09-04T14:40:28.329318Z",
"structure_string": "Sc10 Si20 Ir8\n1.0\n12.405567 0.000000 0.000000\n0.000000 12.405567 0.000000\n0.000000 0.000000 4.100517\nSc Si Ir\n10 20 8\ndirect\n0.113951 0.613951 0.500000 Sc\n0.886049 0.386049 0.500000 Sc\n0.613951 0.886049 0.500000 Sc\n0.386049 0.113951 0.500000 Sc\n0.675244 0.175244 0.500000 Sc\n0.324756 0.824756 0.500000 Sc\n0.175244 0.324756 0.500000 Sc\n0.824756 0.675244 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.000000 Sc\n0.566085 0.066085 0.000000 Si\n0.433915 0.933915 0.000000 Si\n0.066085 0.433915 0.000000 Si\n0.933915 0.566085 0.000000 Si\n0.201629 0.164433 0.000000 Si\n0.798371 0.835567 0.000000 Si\n0.164433 0.798371 0.000000 Si\n0.701629 0.335567 0.000000 Si\n0.835567 0.201629 0.000000 Si\n0.298371 0.664433 0.000000 Si\n0.664433 0.701629 0.000000 Si\n0.335567 0.298371 0.000000 Si\n0.003648 0.151834 0.500000 Si\n0.996352 0.848166 0.500000 Si\n0.151834 0.996352 0.500000 Si\n0.503648 0.348166 0.500000 Si\n0.848166 0.003648 0.500000 Si\n0.496352 0.651834 0.500000 Si\n0.651834 0.503648 0.500000 Si\n0.348166 0.496352 0.500000 Si\n0.020920 0.246046 0.000000 Ir\n0.979080 0.753954 0.000000 Ir\n0.246046 0.979080 0.000000 Ir\n0.520920 0.253954 0.000000 Ir\n0.753954 0.020920 0.000000 Ir\n0.479080 0.746046 0.000000 Ir\n0.746046 0.520920 0.000000 Ir\n0.253954 0.479080 0.000000 Ir\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Ir"
],
"chemical_system": "Ir-Sc-Si",
"density": 6.70730339252736,
"density_atomic": 0.06021597776248455,
"volume": 631.0617449389747,
"volume_molar": 10.000901727036114,
"formula_full": "Sc10 Si20 Ir8",
"formula_reduced": "Sc5(Si5Ir2)2",
"formula_anonymous": "A4B5C10",
"energy": -273.66964284,
"energy_per_atom": -7.201832706315789,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.08964284,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0080696,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.775000Z",
"spacegroup": 127
},
{
"id": "mp-1207497",
"created_at": "2022-09-04T14:40:28.331719Z",
"structure_string": "Yb2 Zr2 F14\n1.0\n0.000000 -6.071506 0.000000\n-5.932465 0.000000 1.210467\n-0.273788 0.000000 -8.155454\nYb Zr F\n2 2 14\ndirect\n0.702946 0.681740 0.701725 Yb\n0.202946 0.318260 0.298275 Yb\n0.704618 0.826941 0.235491 Zr\n0.204618 0.173059 0.764509 Zr\n0.947336 0.496027 0.499153 F\n0.447336 0.503973 0.500847 F\n0.428288 0.931659 0.774050 F\n0.928288 0.068341 0.225950 F\n0.953106 0.960162 0.774735 F\n0.453106 0.039838 0.225265 F\n0.975441 0.434953 0.751079 F\n0.475441 0.565047 0.248921 F\n0.704826 0.722668 0.987247 F\n0.204826 0.277332 0.012753 F\n0.702209 0.877406 0.485409 F\n0.202209 0.122594 0.514591 F\n0.457591 0.408575 0.749877 F\n0.957591 0.591425 0.250123 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Yb",
"Zr",
"F"
],
"chemical_system": "F-Yb-Zr",
"density": 4.460685443774204,
"density_atomic": 0.06085944947586381,
"volume": 295.76343780662364,
"volume_molar": 9.895161411849962,
"formula_full": "Yb2 Zr2 F14",
"formula_reduced": "YbZrF7",
"formula_anonymous": "ABC7",
"energy": -114.94878981,
"energy_per_atom": -6.386043878333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.48078981,
"band_gap": 1.1181,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.532000Z",
"spacegroup": 4
},
{
"id": "mp-680654",
"created_at": "2022-09-04T14:40:28.291177Z",
"structure_string": "Sr6 Rh8 Pb26\n1.0\n10.299189 0.000000 0.000000\n0.000000 10.299189 0.000000\n0.000000 0.000000 10.299189\nSr Rh Pb\n6 8 26\ndirect\n0.500000 0.000000 0.250000 Sr\n0.000000 0.250000 0.500000 Sr\n0.500000 0.000000 0.750000 Sr\n0.250000 0.500000 0.000000 Sr\n0.750000 0.500000 0.000000 Sr\n0.000000 0.750000 0.500000 Sr\n0.250000 0.250000 0.250000 Rh\n0.250000 0.750000 0.750000 Rh\n0.250000 0.750000 0.250000 Rh\n0.750000 0.750000 0.250000 Rh\n0.250000 0.250000 0.750000 Rh\n0.750000 0.250000 0.750000 Rh\n0.750000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.302780 0.155348 0.000000 Pb\n0.697220 0.844652 0.000000 Pb\n0.344652 0.802780 0.500000 Pb\n0.197220 0.500000 0.344652 Pb\n0.802780 0.500000 0.655348 Pb\n0.500000 0.344652 0.802780 Pb\n0.302780 0.844652 0.000000 Pb\n0.000000 0.302780 0.155348 Pb\n0.000000 0.697220 0.155348 Pb\n0.844652 0.000000 0.697220 Pb\n0.155348 0.000000 0.697220 Pb\n0.697220 0.155348 0.000000 Pb\n0.344652 0.197220 0.500000 Pb\n0.500000 0.655348 0.197220 Pb\n0.500000 0.344652 0.197220 Pb\n0.500000 0.655348 0.802780 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.697220 0.844652 Pb\n0.844652 0.000000 0.302780 Pb\n0.155348 0.000000 0.302780 Pb\n0.197220 0.500000 0.655348 Pb\n0.000000 0.302780 0.844652 Pb\n0.655348 0.197220 0.500000 Pb\n0.500000 0.500000 0.500000 Pb\n0.802780 0.500000 0.344652 Pb\n0.655348 0.802780 0.500000 Pb\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sr",
"Rh",
"Pb"
],
"chemical_system": "Pb-Rh-Sr",
"density": 10.238885012372501,
"density_atomic": 0.0366143144919096,
"volume": 1092.4689033530456,
"volume_molar": 16.44750377978719,
"formula_full": "Sr6 Rh8 Pb26",
"formula_reduced": "Sr3Rh4Pb13",
"formula_anonymous": "A3B4C13",
"energy": -177.06875834,
"energy_per_atom": -4.4267189584999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.06875834,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0179714,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.272000Z",
"spacegroup": 223
},
{
"id": "mp-1246879",
"created_at": "2022-09-04T14:40:27.731743Z",
"structure_string": "Sc4 Mo4 N12\n1.0\n9.251115 -0.526088 -0.517044\n-2.585316 5.083874 -0.380062\n-1.499780 -2.655577 7.201507\nSc Mo N\n4 4 12\ndirect\n0.678168 0.605046 0.327181 Sc\n0.321832 0.394954 0.672819 Sc\n0.765920 0.788909 0.892615 Sc\n0.234080 0.211091 0.107385 Sc\n0.980315 0.731367 0.680975 Mo\n0.019685 0.268633 0.319025 Mo\n0.596886 0.986765 0.178953 Mo\n0.403114 0.013235 0.821047 Mo\n0.810797 0.813400 0.633377 N\n0.189203 0.186600 0.366623 N\n0.812780 0.374015 0.382684 N\n0.187220 0.625985 0.617316 N\n0.972523 0.700447 0.898504 N\n0.027477 0.299553 0.101496 N\n0.548651 0.859706 0.887105 N\n0.451349 0.140294 0.112895 N\n0.787883 0.864986 0.189355 N\n0.212117 0.135014 0.810645 N\n0.521222 0.298406 0.746825 N\n0.478778 0.701594 0.253175 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sc",
"Mo",
"N"
],
"chemical_system": "Mo-N-Sc",
"density": 3.896915427096869,
"density_atomic": 0.06414904027074136,
"volume": 311.7739550831921,
"volume_molar": 9.387733214064502,
"formula_full": "Sc4 Mo4 N12",
"formula_reduced": "ScMoN3",
"formula_anonymous": "ABC3",
"energy": -187.51723547,
"energy_per_atom": -9.3758617735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.18523547,
"band_gap": 1.2502000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.233000Z",
"spacegroup": 2
}
]
}