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=is_magnetic&page=28",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=26",
"results": [
{
"id": "mp-1183442",
"created_at": "2022-09-04T14:39:08.220450Z",
"structure_string": "Bi1 Pd2 Au1\n1.0\n0.000000 3.348941 3.348941\n3.348941 0.000000 3.348941\n3.348941 3.348941 0.000000\nBi Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"Pd",
"Au"
],
"chemical_system": "Au-Bi-Pd",
"density": 13.678477862075646,
"density_atomic": 0.053248515707789566,
"volume": 75.1194647743928,
"volume_molar": 11.309499767181377,
"formula_full": "Bi1 Pd2 Au1",
"formula_reduced": "BiPd2Au",
"formula_anonymous": "ABC2",
"energy": -18.38003676,
"energy_per_atom": -4.59500919,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.38003676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.029000Z",
"spacegroup": 225
},
{
"id": "mp-1218990",
"created_at": "2022-09-04T14:39:08.553453Z",
"structure_string": "Sm1 Y4 Se5\n1.0\n16.693003 -2.062771 0.000000\n16.693003 2.062771 0.000000\n16.438105 0.000000 3.563720\nSm Y Se\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.599772 0.599772 0.599772 Y\n0.200043 0.200043 0.200043 Y\n0.799957 0.799957 0.799957 Y\n0.400228 0.400228 0.400228 Y\n0.701341 0.701341 0.701341 Se\n0.100107 0.100107 0.100107 Se\n0.500000 0.500000 0.500000 Se\n0.298659 0.298659 0.298659 Se\n0.899893 0.899893 0.899893 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Y",
"Se"
],
"chemical_system": "Se-Sm-Y",
"density": 6.0946730546354875,
"density_atomic": 0.04074562101597103,
"volume": 245.42514632628394,
"volume_molar": 14.779847772204787,
"formula_full": "Sm1 Y4 Se5",
"formula_reduced": "SmY4Se5",
"formula_anonymous": "AB4C5",
"energy": -68.12202916,
"energy_per_atom": -6.8122029159999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.76202916,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.573000Z",
"spacegroup": 166
},
{
"id": "mp-1224853",
"created_at": "2022-09-04T14:39:08.200951Z",
"structure_string": "Ga2 Ag2 Te2 Se2\n1.0\n-3.101784 3.146467 5.865309\n3.101784 -3.146467 5.865309\n3.101784 3.146467 -5.865309\nGa Ag Te Se\n2 2 2 2\ndirect\n0.134230 0.884230 0.250000 Ga\n0.365770 0.615770 0.750000 Ga\n0.629652 0.379652 0.250000 Ag\n0.870348 0.120348 0.750000 Ag\n0.250000 0.518021 0.268021 Te\n0.750000 0.981979 0.231979 Te\n0.469364 0.250000 0.719364 Se\n0.030636 0.750000 0.780636 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ga",
"Ag",
"Te",
"Se"
],
"chemical_system": "Ag-Ga-Se-Te",
"density": 5.571801891721201,
"density_atomic": 0.03493850888959864,
"volume": 228.97370993361534,
"volume_molar": 17.236398894495522,
"formula_full": "Ga2 Ag2 Te2 Se2",
"formula_reduced": "GaAgTeSe",
"formula_anonymous": "ABCD",
"energy": -29.65174277,
"energy_per_atom": -3.70646784625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.86374277,
"band_gap": 0.2464999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0008842,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.991000Z",
"spacegroup": 24
},
{
"id": "mp-1197290",
"created_at": "2022-09-04T14:39:08.210018Z",
"structure_string": "Tb12 Ga20\n1.0\n6.137740 0.000000 0.000000\n0.000000 9.735035 0.000000\n0.000000 0.000000 11.499997\nTb Ga\n12 20\ndirect\n0.848879 0.750000 0.073614 Tb\n0.651121 0.750000 0.573614 Tb\n0.151121 0.250000 0.926386 Tb\n0.348879 0.250000 0.426386 Tb\n0.889548 0.509210 0.351959 Tb\n0.610452 0.990790 0.851959 Tb\n0.110452 0.009210 0.648041 Tb\n0.389548 0.490790 0.148041 Tb\n0.110452 0.490790 0.648041 Tb\n0.389548 0.009210 0.148041 Tb\n0.889548 0.990790 0.351959 Tb\n0.610452 0.509210 0.851959 Tb\n0.874811 0.053251 0.090916 Ga\n0.625189 0.446749 0.590916 Ga\n0.125189 0.553251 0.909084 Ga\n0.374811 0.946749 0.409084 Ga\n0.125189 0.946749 0.909084 Ga\n0.374811 0.553251 0.409084 Ga\n0.874811 0.446749 0.090916 Ga\n0.625189 0.053251 0.590916 Ga\n0.175971 0.750000 0.252093 Ga\n0.324029 0.750000 0.752093 Ga\n0.824029 0.250000 0.747907 Ga\n0.675971 0.250000 0.247907 Ga\n0.370467 0.750000 0.004820 Ga\n0.129533 0.750000 0.504820 Ga\n0.629533 0.250000 0.995180 Ga\n0.870467 0.250000 0.495180 Ga\n0.602102 0.750000 0.298829 Ga\n0.897898 0.750000 0.798829 Ga\n0.397898 0.250000 0.701171 Ga\n0.102102 0.250000 0.201171 Ga\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Tb",
"Ga"
],
"chemical_system": "Ga-Tb",
"density": 7.9785709693421305,
"density_atomic": 0.04657000092999055,
"volume": 687.1376285370088,
"volume_molar": 12.93137350169519,
"formula_full": "Tb12 Ga20",
"formula_reduced": "Tb3Ga5",
"formula_anonymous": "A3B5",
"energy": -137.38248869,
"energy_per_atom": -4.2932027715625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.38248869,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0068722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.854000Z",
"spacegroup": 62
},
{
"id": "mp-1238387",
"created_at": "2022-09-04T14:39:07.824398Z",
"structure_string": "Cd6 P12 H24 O48\n1.0\n6.997280 -7.634851 0.000000\n6.997280 7.634851 0.000000\n-1.333236 0.000000 10.270120\nCd P H O\n6 12 24 48\ndirect\n0.660988 0.279845 0.867038 Cd\n0.867038 0.660988 0.279845 Cd\n0.279845 0.867038 0.660988 Cd\n0.339012 0.720155 0.132962 Cd\n0.132962 0.339012 0.720155 Cd\n0.720155 0.132962 0.339012 Cd\n0.392405 0.021320 0.284052 P\n0.284052 0.392405 0.021320 P\n0.021320 0.284052 0.392405 P\n0.607595 0.978680 0.715948 P\n0.715948 0.607595 0.978680 P\n0.978680 0.715948 0.607595 P\n0.217814 0.109377 0.479779 P\n0.479779 0.217814 0.109377 P\n0.109377 0.479779 0.217814 P\n0.782186 0.890623 0.520221 P\n0.520221 0.782186 0.890623 P\n0.890623 0.520221 0.782186 P\n0.757438 0.326050 0.567486 H\n0.567486 0.757438 0.326050 H\n0.326050 0.567486 0.757438 H\n0.242562 0.673950 0.432514 H\n0.432514 0.242562 0.673950 H\n0.673950 0.432514 0.242562 H\n0.535117 0.609080 0.300136 H\n0.300136 0.535117 0.609080 H\n0.609080 0.300136 0.535117 H\n0.464883 0.390920 0.699864 H\n0.699864 0.464883 0.390920 H\n0.390920 0.699864 0.464883 H\n0.293729 0.068703 0.875809 H\n0.875809 0.293729 0.068703 H\n0.068703 0.875809 0.293729 H\n0.706271 0.931297 0.124191 H\n0.124191 0.706271 0.931297 H\n0.931297 0.124191 0.706271 H\n0.853673 0.953954 0.175754 H\n0.175754 0.853673 0.953954 H\n0.953954 0.175754 0.853673 H\n0.146327 0.046046 0.824246 H\n0.824246 0.146327 0.046046 H\n0.046046 0.824246 0.146327 H\n0.903472 0.251026 0.296180 O\n0.296180 0.903472 0.251026 O\n0.251026 0.296180 0.903472 O\n0.096528 0.748974 0.703820 O\n0.703820 0.096528 0.748974 O\n0.748974 0.703820 0.096528 O\n0.997494 0.670703 0.469298 O\n0.469298 0.997494 0.670703 O\n0.670703 0.469298 0.997494 O\n0.002506 0.329297 0.530702 O\n0.530702 0.002506 0.329297 O\n0.329297 0.530702 0.002506 O\n0.205036 0.597990 0.255475 O\n0.255475 0.205036 0.597990 O\n0.597990 0.255475 0.205036 O\n0.794964 0.402010 0.744525 O\n0.744525 0.794964 0.402010 O\n0.402010 0.744525 0.794964 O\n0.969623 0.498461 0.177962 O\n0.177962 0.969623 0.498461 O\n0.498461 0.177962 0.969623 O\n0.030377 0.501539 0.822038 O\n0.822038 0.030377 0.501539 O\n0.501539 0.822038 0.030377 O\n0.390842 0.338255 0.121411 O\n0.121411 0.390842 0.338255 O\n0.338255 0.121411 0.390842 O\n0.609158 0.661745 0.878589 O\n0.878589 0.609158 0.661745 O\n0.661745 0.878589 0.609158 O\n0.385652 0.102826 0.157587 O\n0.157587 0.385652 0.102826 O\n0.102826 0.157587 0.385652 O\n0.614348 0.897174 0.842413 O\n0.842413 0.614348 0.897174 O\n0.897174 0.842413 0.614348 O\n0.492296 0.690424 0.309401 O\n0.309401 0.492296 0.690424 O\n0.690424 0.309401 0.492296 O\n0.507704 0.309576 0.690599 O\n0.690599 0.507704 0.309576 O\n0.309576 0.690599 0.507704 O\n0.000531 0.151869 0.777162 O\n0.777162 0.000531 0.151869 O\n0.151869 0.777162 0.000531 O\n0.999469 0.848131 0.222838 O\n0.222838 0.999469 0.848131 O\n0.848131 0.222838 0.999469 O\n",
"nsites": 90,
"nelements": 4,
"elements": [
"Cd",
"P",
"H",
"O"
],
"chemical_system": "Cd-H-O-P",
"density": 2.781846746361043,
"density_atomic": 0.0820176227007066,
"volume": 1097.3251483821005,
"volume_molar": 7.342496114494328,
"formula_full": "Cd6 P12 H24 O48",
"formula_reduced": "CdP2(HO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -566.89196692,
"energy_per_atom": -6.298799632444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -533.91596692,
"band_gap": 4.221,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.816000Z",
"spacegroup": 148
},
{
"id": "mp-1189034",
"created_at": "2022-09-04T14:39:08.228952Z",
"structure_string": "Cs2 Te4 O12\n1.0\n0.000000 5.274826 5.274826\n5.274826 0.000000 5.274826\n5.274826 5.274826 0.000000\nCs Te O\n2 4 12\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750000 0.750000 0.750000 Cs\n0.625000 0.125000 0.125000 Te\n0.125000 0.625000 0.125000 Te\n0.125000 0.125000 0.625000 Te\n0.125000 0.125000 0.125000 Te\n0.806687 0.193313 0.193313 O\n0.193313 0.806687 0.806687 O\n0.193313 0.193313 0.806687 O\n0.806687 0.806687 0.193313 O\n0.193313 0.806687 0.193313 O\n0.806687 0.193313 0.806687 O\n0.443313 0.056687 0.056687 O\n0.056687 0.443313 0.443313 O\n0.056687 0.056687 0.443313 O\n0.443313 0.443313 0.056687 O\n0.056687 0.443313 0.056687 O\n0.443313 0.056687 0.443313 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Cs",
"Te",
"O"
],
"chemical_system": "Cs-O-Te",
"density": 5.477235658721388,
"density_atomic": 0.061322251908368076,
"volume": 293.53129475572484,
"volume_molar": 9.820482080466805,
"formula_full": "Cs2 Te4 O12",
"formula_reduced": "Cs(TeO3)2",
"formula_anonymous": "AB2C6",
"energy": -103.35908736,
"energy_per_atom": -5.74217152,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.11508736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011037,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.448000Z",
"spacegroup": 227
},
{
"id": "mp-1218807",
"created_at": "2022-09-04T14:39:07.952751Z",
"structure_string": "Sr2 Hf1 Ti1 O6\n1.0\n2.855009 4.940842 0.000000\n-2.855009 4.940842 0.000000\n0.000000 3.298466 4.660618\nSr Hf Ti O\n2 1 1 6\ndirect\n0.750016 0.750016 0.249236 Sr\n0.249984 0.249984 0.750764 Sr\n0.000000 0.000000 0.500000 Hf\n0.500000 0.500000 0.000000 Ti\n0.267267 0.755171 0.232539 O\n0.244829 0.732733 0.767461 O\n0.732733 0.244829 0.767461 O\n0.755171 0.267267 0.232539 O\n0.256204 0.256204 0.267153 O\n0.743796 0.743796 0.732847 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Hf",
"Ti",
"O"
],
"chemical_system": "Hf-O-Sr-Ti",
"density": 6.284080752611813,
"density_atomic": 0.07605329743624618,
"volume": 131.48673807842167,
"volume_molar": 7.918316447815071,
"formula_full": "Sr2 Hf1 Ti1 O6",
"formula_reduced": "Sr2HfTiO6",
"formula_anonymous": "ABC2D6",
"energy": -87.5587476,
"energy_per_atom": -8.755874760000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.4367476,
"band_gap": 2.4807,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.288000Z",
"spacegroup": 12
},
{
"id": "mp-776023",
"created_at": "2022-09-04T14:39:08.331726Z",
"structure_string": "Cd8 Si8 O24\n1.0\n5.519971 0.000000 0.000000\n0.000000 9.745057 0.000000\n0.000000 0.000000 9.852316\nCd Si O\n8 8 24\ndirect\n0.250000 0.897398 0.000000 Cd\n0.250000 0.277742 0.000000 Cd\n0.750000 0.722258 0.000000 Cd\n0.750000 0.102602 0.000000 Cd\n0.250000 0.397398 0.500000 Cd\n0.250000 0.777742 0.500000 Cd\n0.750000 0.222258 0.500000 Cd\n0.750000 0.602602 0.500000 Cd\n0.083362 0.583261 0.209795 Si\n0.583362 0.416739 0.209795 Si\n0.083362 0.083261 0.290205 Si\n0.583362 0.916739 0.290205 Si\n0.416638 0.083261 0.709795 Si\n0.916638 0.916739 0.709795 Si\n0.916638 0.416739 0.790205 Si\n0.416638 0.583261 0.790205 Si\n0.091056 0.090375 0.124630 O\n0.591056 0.909625 0.124630 O\n0.568192 0.270252 0.131635 O\n0.068192 0.729748 0.131635 O\n0.826837 0.504390 0.158183 O\n0.326837 0.495610 0.158183 O\n0.326837 0.995610 0.341817 O\n0.826837 0.004390 0.341817 O\n0.068192 0.229748 0.368365 O\n0.568192 0.770252 0.368365 O\n0.091056 0.590375 0.375370 O\n0.591056 0.409625 0.375370 O\n0.908944 0.409625 0.624630 O\n0.408944 0.590375 0.624630 O\n0.431808 0.229748 0.631635 O\n0.931808 0.770252 0.631635 O\n0.173163 0.995610 0.658183 O\n0.673163 0.004390 0.658183 O\n0.173163 0.495610 0.841817 O\n0.673163 0.504390 0.841817 O\n0.931808 0.270252 0.868365 O\n0.431808 0.729748 0.868365 O\n0.408944 0.090375 0.875370 O\n0.908944 0.909625 0.875370 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-O-Si",
"density": 4.724748711745973,
"density_atomic": 0.07547454068362586,
"volume": 529.9800388010572,
"volume_molar": 7.979035984125568,
"formula_full": "Cd8 Si8 O24",
"formula_reduced": "CdSiO3",
"formula_anonymous": "ABC3",
"energy": -270.1860732,
"energy_per_atom": -6.75465183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -253.6980732,
"band_gap": 2.5256,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0025586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.776000Z",
"spacegroup": 60
},
{
"id": "mp-1202952",
"created_at": "2022-09-04T14:39:07.354252Z",
"structure_string": "Tb4 Al34\n1.0\n4.738229 -8.206853 0.000000\n4.738229 8.206853 0.000000\n0.000000 0.000000 8.876703\nTb Al\n4 34\ndirect\n0.000000 0.000000 0.250000 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.750000 Tb\n0.666667 0.333333 0.250000 Tb\n0.333333 0.666667 0.398643 Al\n0.666667 0.333333 0.601357 Al\n0.666667 0.333333 0.898643 Al\n0.333333 0.666667 0.101357 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.327587 0.364331 0.250000 Al\n0.635669 0.963255 0.250000 Al\n0.036745 0.672413 0.250000 Al\n0.635669 0.672413 0.250000 Al\n0.036745 0.364331 0.250000 Al\n0.327587 0.963255 0.250000 Al\n0.672413 0.635669 0.750000 Al\n0.364331 0.036745 0.750000 Al\n0.963255 0.327587 0.750000 Al\n0.364331 0.327587 0.750000 Al\n0.963255 0.635669 0.750000 Al\n0.672413 0.036745 0.750000 Al\n0.163340 0.836660 0.526591 Al\n0.163340 0.326680 0.526591 Al\n0.673320 0.836660 0.526591 Al\n0.836660 0.163340 0.473409 Al\n0.836660 0.673320 0.473409 Al\n0.326680 0.163340 0.473409 Al\n0.836660 0.163340 0.026591 Al\n0.836660 0.673320 0.026591 Al\n0.326680 0.163340 0.026591 Al\n0.163340 0.836660 0.973409 Al\n0.163340 0.326680 0.973409 Al\n0.673320 0.836660 0.973409 Al\n",
"nsites": 38,
"nelements": 2,
"elements": [
"Tb",
"Al"
],
"chemical_system": "Al-Tb",
"density": 3.7356551672737006,
"density_atomic": 0.05504390170920011,
"volume": 690.3580382211284,
"volume_molar": 10.940613897276567,
"formula_full": "Tb4 Al34",
"formula_reduced": "Tb2Al17",
"formula_anonymous": "A2B17",
"energy": -149.68533782,
"energy_per_atom": -3.939087837368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.68533782,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.012461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.162000Z",
"spacegroup": 194
},
{
"id": "mp-973019",
"created_at": "2022-09-04T14:39:08.439291Z",
"structure_string": "Li1 Sm1 Cu2 P2\n1.0\n2.006087 -3.474644 0.000000\n2.006087 3.474644 0.000000\n0.000000 0.000000 6.665713\nLi Sm Cu P\n1 1 2 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.659291 Cu\n0.666667 0.333333 0.340709 Cu\n0.333333 0.666667 0.267351 P\n0.666667 0.333333 0.732649 P\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Li",
"Sm",
"Cu",
"P"
],
"chemical_system": "Cu-Li-P-Sm",
"density": 6.188932161933015,
"density_atomic": 0.06456758836479382,
"volume": 92.9258804913266,
"volume_molar": 9.326878876095112,
"formula_full": "Li1 Sm1 Cu2 P2",
"formula_reduced": "LiSm(CuP)2",
"formula_anonymous": "ABC2D2",
"energy": -30.45395972,
"energy_per_atom": -5.075659953333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.45395972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.399000Z",
"spacegroup": 164
},
{
"id": "mp-972364",
"created_at": "2022-09-04T14:40:43.046609Z",
"structure_string": "Yb3\n1.0\n9.508741 -1.939487 0.000000\n9.508741 1.939487 0.000000\n9.113146 0.000000 3.335916\nYb\n3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.222416 0.222416 0.222416 Yb\n0.777584 0.777584 0.777584 Yb\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.005866629959364,
"density_atomic": 0.024381827904520453,
"volume": 123.04245652737924,
"volume_molar": 24.69929975546862,
"formula_full": "Yb3",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -4.61882484,
"energy_per_atom": -1.5396082800000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.61882484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.708000Z",
"spacegroup": 166
},
{
"id": "mp-9882",
"created_at": "2022-09-04T14:39:09.136903Z",
"structure_string": "Y4 Si10 Rh6\n1.0\n5.906624 5.564235 0.000000\n-5.906624 5.564235 0.000000\n0.000000 2.702009 5.029931\nY Si Rh\n4 10 6\ndirect\n0.867134 0.599179 0.760065 Y\n0.132866 0.400821 0.239935 Y\n0.400821 0.132866 0.739935 Y\n0.599179 0.867134 0.260065 Y\n0.775911 0.224089 0.750000 Si\n0.224089 0.775911 0.250000 Si\n0.512256 0.487744 0.750000 Si\n0.487744 0.512256 0.250000 Si\n0.210320 0.789680 0.750000 Si\n0.789680 0.210320 0.250000 Si\n0.266472 0.058002 0.338774 Si\n0.733528 0.941998 0.661226 Si\n0.941998 0.733528 0.161226 Si\n0.058002 0.266472 0.838774 Si\n0.539549 0.260293 0.126254 Rh\n0.739707 0.460451 0.373746 Rh\n0.460451 0.739707 0.873746 Rh\n0.260293 0.539549 0.626254 Rh\n0.997962 0.002038 0.250000 Rh\n0.002038 0.997962 0.750000 Rh\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Y",
"density": 6.297658921001547,
"density_atomic": 0.06049133693791642,
"volume": 330.62585507948745,
"volume_molar": 9.955377190920174,
"formula_full": "Y4 Si10 Rh6",
"formula_reduced": "Y2Si5Rh3",
"formula_anonymous": "A2B3C5",
"energy": -143.79477495,
"energy_per_atom": -7.1897387475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.79477495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.211000Z",
"spacegroup": 15
}
]
}