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=3",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic",
"results": [
{
"id": "mp-972471",
"created_at": "2022-09-04T14:39:07.698360Z",
"structure_string": "Sm3 Ho1\n1.0\n-2.544370 2.544370 5.101933\n2.544370 -2.544370 5.101933\n2.544370 2.544370 -5.101933\nSm Ho\n3 1\ndirect\n0.750000 0.250000 0.500000 Sm\n0.250000 0.750000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"Ho"
],
"chemical_system": "Ho-Sm",
"density": 7.7425106334503955,
"density_atomic": 0.030276433606857858,
"volume": 132.11595698292442,
"volume_molar": 19.890522239831892,
"formula_full": "Sm3 Ho1",
"formula_reduced": "Sm3Ho",
"formula_anonymous": "AB3",
"energy": -18.66985442,
"energy_per_atom": -4.667463605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.66985442,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.165000Z",
"spacegroup": 139
},
{
"id": "mp-567969",
"created_at": "2022-09-04T14:39:07.725787Z",
"structure_string": "Ho1 B2 Rh2 C1\n1.0\n-1.903097 1.903097 5.139751\n1.903097 -1.903097 5.139751\n1.903097 1.903097 -5.139751\nHo B Rh C\n1 2 2 1\ndirect\n0.000000 0.000000 0.000000 Ho\n0.645212 0.645212 0.000000 B\n0.354788 0.354788 0.000000 B\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n0.500000 0.500000 0.000000 C\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Ho",
"B",
"Rh",
"C"
],
"chemical_system": "B-C-Ho-Rh",
"density": 9.017962450622596,
"density_atomic": 0.08058001243226948,
"volume": 74.4601523242904,
"volume_molar": 7.473491971798634,
"formula_full": "Ho1 B2 Rh2 C1",
"formula_reduced": "HoB2Rh2C",
"formula_anonymous": "ABC2D2",
"energy": -45.39678505,
"energy_per_atom": -7.566130841666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.39678505,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.757000Z",
"spacegroup": 139
},
{
"id": "mp-1079242",
"created_at": "2022-09-04T14:39:07.727949Z",
"structure_string": "Dy3 Cd3 Ga3\n1.0\n3.632426 -6.291546 0.000000\n3.632426 6.291546 0.000000\n0.000000 0.000000 4.397992\nDy Cd Ga\n3 3 3\ndirect\n0.422659 0.422659 0.500000 Dy\n0.577341 0.000000 0.500000 Dy\n0.000000 0.577341 0.500000 Dy\n0.752506 0.752506 0.000000 Cd\n0.247494 0.000000 0.000000 Cd\n0.000000 0.247494 0.000000 Cd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Dy",
"Cd",
"Ga"
],
"chemical_system": "Cd-Dy-Ga",
"density": 8.540629660450582,
"density_atomic": 0.04477173524263873,
"volume": 201.01968242295814,
"volume_molar": 13.45076470090613,
"formula_full": "Dy3 Cd3 Ga3",
"formula_reduced": "DyCdGa",
"formula_anonymous": "ABC",
"energy": -30.28999064,
"energy_per_atom": -3.3655545155555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.28999064,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003875,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.877000Z",
"spacegroup": 189
},
{
"id": "mp-1046228",
"created_at": "2022-09-04T14:39:07.739991Z",
"structure_string": "Mg1 Sn4 O8\n1.0\n1.612708 7.906606 0.000000\n-1.612708 7.906606 0.000000\n0.000000 6.018143 7.762855\nMg Sn O\n1 4 8\ndirect\n0.690353 0.690353 0.798638 Mg\n0.370424 0.370424 0.429488 Sn\n0.898523 0.898523 0.789942 Sn\n0.148825 0.148825 0.157550 Sn\n0.665569 0.665569 0.490574 Sn\n0.135616 0.135616 0.395011 O\n0.533704 0.533704 0.265235 O\n0.512562 0.512562 0.719068 O\n0.855384 0.855384 0.581473 O\n0.835923 0.835923 0.326675 O\n0.171315 0.171315 0.929846 O\n0.195533 0.195533 0.613377 O\n0.748661 0.748661 0.094330 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 5.260371665052036,
"density_atomic": 0.06566682891026336,
"volume": 197.96905402216206,
"volume_molar": 9.170750072657723,
"formula_full": "Mg1 Sn4 O8",
"formula_reduced": "Mg(SnO2)4",
"formula_anonymous": "AB4C8",
"energy": -83.59759885,
"energy_per_atom": -6.430584526923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.10159885,
"band_gap": 0.3079,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014852,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.918000Z",
"spacegroup": 8
},
{
"id": "mp-20379",
"created_at": "2022-09-04T14:40:42.721891Z",
"structure_string": "Dy1 Th1\n1.0\n4.007679 0.000000 0.000000\n0.000000 4.007679 0.000000\n0.000000 0.000000 4.007679\nDy Th\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Th\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Dy",
"Th"
],
"chemical_system": "Dy-Th",
"density": 10.177924279235294,
"density_atomic": 0.031070712252885314,
"volume": 64.36930005729992,
"volume_molar": 19.38204927838681,
"formula_full": "Dy1 Th1",
"formula_reduced": "DyTh",
"formula_anonymous": "AB",
"energy": -11.72569729,
"energy_per_atom": -5.862848645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.72569729,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:12.281000Z",
"spacegroup": 221
},
{
"id": "mp-975641",
"created_at": "2022-09-04T14:39:07.752645Z",
"structure_string": "Pr3 Cd1\n1.0\n-2.481509 2.481509 5.124035\n2.481509 -2.481509 5.124035\n2.481509 2.481509 -5.124035\nPr Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Cd"
],
"chemical_system": "Cd-Pr",
"density": 7.040569885019982,
"density_atomic": 0.031692478410580864,
"volume": 126.21291235666057,
"volume_molar": 19.00179809853383,
"formula_full": "Pr3 Cd1",
"formula_reduced": "Pr3Cd",
"formula_anonymous": "AB3",
"energy": -15.67561865,
"energy_per_atom": -3.9189046625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.67561865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.486000Z",
"spacegroup": 139
},
{
"id": "mp-1211287",
"created_at": "2022-09-04T14:39:07.708278Z",
"structure_string": "Li4 Er4 F8\n1.0\n-3.214458 3.214458 6.389094\n3.214458 -3.214458 6.389094\n3.214458 3.214458 -6.389094\nLi Er F\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.125000 0.250000 Li\n0.875000 0.625000 0.750000 Li\n0.875000 0.625000 0.250000 Er\n0.375000 0.625000 0.750000 Er\n0.375000 0.625000 0.250000 Er\n0.375000 0.125000 0.750000 Er\n0.192419 0.456587 0.264168 F\n0.192419 0.928251 0.735832 F\n0.206587 0.442419 0.764168 F\n0.557581 0.793413 0.235832 F\n0.678251 0.442419 0.235832 F\n0.557581 0.321749 0.764168 F\n0.543413 0.807581 0.735832 F\n0.071749 0.807581 0.264168 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Er",
"F"
],
"chemical_system": "Er-F-Li",
"density": 5.3374417916241095,
"density_atomic": 0.06059059290078901,
"volume": 264.06739452440064,
"volume_molar": 9.939068874702462,
"formula_full": "Li4 Er4 F8",
"formula_reduced": "LiErF2",
"formula_anonymous": "ABC2",
"energy": -81.99561039,
"energy_per_atom": -5.124725649375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.29961039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.74e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.804000Z",
"spacegroup": 141
},
{
"id": "mp-759312",
"created_at": "2022-09-04T14:39:07.692643Z",
"structure_string": "Mg2 Si2 H24 O12 F12\n1.0\n9.501418 0.000000 0.000000\n0.000000 6.630703 0.000000\n0.000000 1.555095 8.314194\nMg Si H O F\n2 2 24 12 12\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.435934 0.957087 0.819721 H\n0.064066 0.957087 0.319721 H\n0.976182 0.807845 0.739670 H\n0.671514 0.753518 0.704841 H\n0.523818 0.807845 0.239670 H\n0.732040 0.749081 0.530902 H\n0.275919 0.733860 0.521931 H\n0.828486 0.753518 0.204841 H\n0.396972 0.630658 0.638777 H\n0.767960 0.749081 0.030902 H\n0.224081 0.733860 0.021931 H\n0.103028 0.630658 0.138777 H\n0.896972 0.369342 0.861223 H\n0.775919 0.266140 0.978069 H\n0.232040 0.250919 0.969098 H\n0.603028 0.369342 0.361223 H\n0.171514 0.246482 0.795159 H\n0.724081 0.266140 0.478069 H\n0.267960 0.250919 0.469098 H\n0.476182 0.192155 0.760330 H\n0.328486 0.246482 0.295159 H\n0.023818 0.192155 0.260330 H\n0.935934 0.042913 0.680279 H\n0.564066 0.042913 0.180279 H\n0.961451 0.939133 0.774161 O\n0.538549 0.939133 0.274161 O\n0.671394 0.825932 0.592836 O\n0.376354 0.740292 0.546531 O\n0.828606 0.825932 0.092836 O\n0.123646 0.740292 0.046531 O\n0.876354 0.259708 0.953469 O\n0.171394 0.174068 0.907164 O\n0.623646 0.259708 0.453469 O\n0.328606 0.174068 0.407164 O\n0.461451 0.060867 0.725839 O\n0.038549 0.060867 0.225839 O\n0.407193 0.727573 0.967791 F\n0.092807 0.727573 0.467791 F\n0.647200 0.625495 0.911500 F\n0.852800 0.625495 0.411500 F\n0.946014 0.547336 0.683914 F\n0.446014 0.452664 0.816086 F\n0.553986 0.547336 0.183914 F\n0.053986 0.452664 0.316086 F\n0.147200 0.374505 0.588500 F\n0.352800 0.374505 0.088500 F\n0.907193 0.272427 0.532209 F\n0.592807 0.272427 0.032209 F\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Mg",
"Si",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mg-O-Si",
"density": 1.7402431541918686,
"density_atomic": 0.0992739242091086,
"volume": 523.8032082872865,
"volume_molar": 6.066185867010841,
"formula_full": "Mg2 Si2 H24 O12 F12",
"formula_reduced": "MgSiH12(OF)6",
"formula_anonymous": "ABC6D6E12",
"energy": -281.83774638,
"energy_per_atom": -5.419956661153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.04974638,
"band_gap": 5.6666,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000524,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.566000Z",
"spacegroup": 14
},
{
"id": "mp-1212407",
"created_at": "2022-09-04T14:39:07.786181Z",
"structure_string": "Hf6 Bi6\n1.0\n1.921971 -5.439362 0.000000\n1.921971 5.439362 0.000000\n0.000000 0.000000 14.352011\nHf Bi\n6 6\ndirect\n0.599098 0.400902 0.250000 Hf\n0.400902 0.599098 0.750000 Hf\n0.930616 0.069384 0.110557 Hf\n0.069384 0.930616 0.889443 Hf\n0.069384 0.930616 0.610557 Hf\n0.930616 0.069384 0.389443 Hf\n0.315587 0.684413 0.250000 Bi\n0.684413 0.315587 0.750000 Bi\n0.642042 0.357958 0.049874 Bi\n0.357958 0.642042 0.950126 Bi\n0.357958 0.642042 0.549874 Bi\n0.642042 0.357958 0.450126 Bi\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"Bi"
],
"chemical_system": "Bi-Hf",
"density": 12.86474941743433,
"density_atomic": 0.03998929046486682,
"volume": 300.0803430244099,
"volume_molar": 15.059383875017337,
"formula_full": "Hf6 Bi6",
"formula_reduced": "HfBi",
"formula_anonymous": "AB",
"energy": -85.16079193,
"energy_per_atom": -7.096732660833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.16079193,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011888,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.798000Z",
"spacegroup": 63
},
{
"id": "mp-1245202",
"created_at": "2022-09-04T14:39:07.787324Z",
"structure_string": "In40 O60\n1.0\n11.483386 -0.049829 -0.627868\n-0.066072 11.701189 -0.206708\n-0.629939 -0.184232 11.073846\nIn O\n40 60\ndirect\n0.453403 0.922392 0.773193 In\n0.757523 0.757784 0.258609 In\n0.048196 0.613511 0.395554 In\n0.859319 0.263368 0.994008 In\n0.852619 0.619556 0.878079 In\n0.523881 0.790947 0.507036 In\n0.827968 0.434832 0.260139 In\n0.432703 0.215433 0.837441 In\n0.447942 0.407534 0.577835 In\n0.986110 0.861495 0.481860 In\n0.178207 0.022361 0.605663 In\n0.636177 0.601476 0.041416 In\n0.163465 0.247422 0.932911 In\n0.112816 0.153798 0.205858 In\n0.301486 0.611898 0.270497 In\n0.471537 0.109892 0.534495 In\n0.642540 0.986410 0.002162 In\n0.794686 0.599930 0.554261 In\n0.271444 0.683797 0.607967 In\n0.548787 0.654560 0.767568 In\n0.310593 0.703021 0.977721 In\n0.073799 0.782187 0.788148 In\n0.594925 0.278932 0.132051 In\n0.244553 0.885059 0.315109 In\n0.574334 0.544774 0.323869 In\n0.509400 0.866633 0.229044 In\n0.088196 0.469210 0.084341 In\n0.956978 0.805945 0.118363 In\n0.345349 0.303504 0.270933 In\n0.952534 0.116028 0.571430 In\n0.290401 0.984008 0.006299 In\n0.665359 0.286611 0.467192 In\n0.159675 0.460156 0.749079 In\n0.901281 0.351817 0.716217 In\n0.742792 0.873861 0.745747 In\n0.810503 0.113231 0.253710 In\n0.085110 0.327585 0.438592 In\n0.391517 0.445994 0.003279 In\n0.719175 0.980372 0.489233 In\n0.956933 0.981494 0.965575 In\n0.013016 0.155206 0.014204 O\n0.732458 0.165370 0.079347 O\n0.653364 0.461278 0.163640 O\n0.290489 0.358079 0.846529 O\n0.785973 0.998448 0.890707 O\n0.603785 0.823904 0.857230 O\n0.654499 0.834023 0.388684 O\n0.633009 0.461163 0.505598 O\n0.195923 0.642105 0.777162 O\n0.948103 0.765819 0.304504 O\n0.683142 0.561170 0.868035 O\n0.462778 0.608090 0.944965 O\n0.523066 0.337406 0.960816 O\n0.277856 0.122992 0.887849 O\n0.717931 0.940106 0.182196 O\n0.203247 0.003192 0.167213 O\n0.792211 0.280216 0.823162 O\n0.190788 0.306959 0.118951 O\n0.250416 0.425771 0.502960 O\n0.035056 0.632634 0.943081 O\n0.884164 0.528403 0.709906 O\n0.058826 0.661006 0.076070 O\n0.528993 0.066047 0.866339 O\n0.759752 0.593957 0.357638 O\n0.138738 0.844145 0.631410 O\n0.595493 0.949045 0.618912 O\n0.414744 0.467629 0.222935 O\n0.123485 0.966593 0.416895 O\n0.827133 0.242929 0.565220 O\n0.908915 0.416021 0.098088 O\n0.415796 0.550006 0.676414 O\n0.580508 0.697635 0.191816 O\n0.957945 0.691425 0.537100 O\n0.424172 0.776838 0.655522 O\n0.671237 0.710872 0.631309 O\n0.803763 0.690042 0.077477 O\n0.438760 0.207151 0.159019 O\n0.063982 0.321466 0.634870 O\n0.728922 0.281288 0.295133 O\n0.955769 0.454267 0.408990 O\n0.873199 0.019655 0.403802 O\n0.212163 0.719176 0.412124 O\n0.109679 0.928778 0.902199 O\n0.318741 0.769813 0.173535 O\n0.183210 0.518738 0.559251 O\n0.472760 0.957269 0.076514 O\n0.355477 0.032707 0.638760 O\n0.450849 0.641985 0.408448 O\n0.893776 0.780684 0.813331 O\n0.323077 0.848422 0.879917 O\n0.253112 0.548376 0.044604 O\n0.970570 0.214205 0.289878 O\n0.464698 0.287860 0.433449 O\n0.142022 0.518320 0.270593 O\n0.051938 0.387716 0.886237 O\n0.614056 0.113760 0.432385 O\n0.422243 0.916761 0.385999 O\n0.214700 0.225265 0.364580 O\n0.867376 0.945606 0.619027 O\n0.483194 0.251654 0.667703 O\n",
"nsites": 100,
"nelements": 2,
"elements": [
"In",
"O"
],
"chemical_system": "In-O",
"density": 6.217980686979476,
"density_atomic": 0.06743685567716853,
"volume": 1482.8686627786542,
"volume_molar": 8.930043815846028,
"formula_full": "In40 O60",
"formula_reduced": "In2O3",
"formula_anonymous": "A2B3",
"energy": -565.41087496,
"energy_per_atom": -5.6541087496,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -537.51087496,
"band_gap": 0.6920999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.701000Z",
"spacegroup": 1
},
{
"id": "mp-1226870",
"created_at": "2022-09-04T14:39:07.794202Z",
"structure_string": "Ce1 Y1 Mg2 Ni8\n1.0\n8.196227 -2.472373 0.000000\n8.196227 2.472373 0.000000\n7.450442 0.000000 4.216833\nCe Y Mg Ni\n1 1 2 8\ndirect\n0.999884 0.999884 0.999884 Ce\n0.500006 0.500006 0.500006 Y\n0.125383 0.125383 0.125383 Mg\n0.624644 0.624644 0.624644 Mg\n0.563982 0.059663 0.563982 Ni\n0.063890 0.560576 0.063890 Ni\n0.059663 0.563982 0.563982 Ni\n0.560576 0.063890 0.063890 Ni\n0.812087 0.812087 0.812087 Ni\n0.312012 0.312012 0.312012 Ni\n0.563982 0.563982 0.059663 Ni\n0.063890 0.063890 0.560576 Ni\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ce",
"Y",
"Mg",
"Ni"
],
"chemical_system": "Ce-Mg-Ni-Y",
"density": 7.259879562722489,
"density_atomic": 0.07021612821045362,
"volume": 170.9009070399508,
"volume_molar": 8.576577651718821,
"formula_full": "Ce1 Y1 Mg2 Ni8",
"formula_reduced": "CeY(MgNi4)2",
"formula_anonymous": "ABC2D8",
"energy": -66.56916992,
"energy_per_atom": -5.547430826666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.56916992,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0102464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.632000Z",
"spacegroup": 160
},
{
"id": "mp-1218988",
"created_at": "2022-09-04T14:39:07.792891Z",
"structure_string": "Sm1 Y1 Cu4\n1.0\n-2.173847 3.469638 3.699245\n2.173847 -3.469638 3.699245\n2.173847 3.469638 -3.699245\nSm Y Cu\n1 1 4\ndirect\n0.458449 0.458449 0.000000 Sm\n0.039210 0.539210 0.500000 Y\n0.639555 0.837347 0.802208 Cu\n0.863696 0.163823 0.699873 Cu\n0.463951 0.163823 0.300127 Cu\n0.035139 0.837347 0.197792 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Y",
"Cu"
],
"chemical_system": "Cu-Sm-Y",
"density": 7.341856505295163,
"density_atomic": 0.053760713470544334,
"volume": 111.60566169359748,
"volume_molar": 11.201750072196402,
"formula_full": "Sm1 Y1 Cu4",
"formula_reduced": "SmYCu4",
"formula_anonymous": "ABC4",
"energy": -29.05478664,
"energy_per_atom": -4.84246444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.05478664,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.845000Z",
"spacegroup": 44
}
]
}