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=10250",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10248",
"results": [
{
"id": "mp-1014333",
"created_at": "2022-09-04T14:39:18.838822Z",
"structure_string": "C12 N4\n1.0\n4.325071 0.000000 0.000000\n0.000000 4.775567 0.000000\n0.000000 0.000000 9.125604\nC N\n12 4\ndirect\n0.137984 0.316714 0.433731 C\n0.362016 0.683286 0.933731 C\n0.637984 0.183286 0.566269 C\n0.862016 0.816714 0.066269 C\n0.655542 0.834809 0.936532 C\n0.844458 0.165191 0.436532 C\n0.155542 0.665191 0.063468 C\n0.344458 0.334809 0.563468 C\n0.712543 0.053006 0.692843 C\n0.787457 0.946994 0.192843 C\n0.212543 0.446994 0.307157 C\n0.287457 0.553006 0.807157 C\n0.740429 0.985188 0.820737 N\n0.759571 0.014812 0.320737 N\n0.240429 0.514812 0.179263 N\n0.259571 0.485188 0.679263 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 1.7633404592419557,
"density_atomic": 0.08488680349670918,
"volume": 188.48630577331463,
"volume_molar": 7.094319154370632,
"formula_full": "C12 N4",
"formula_reduced": "C3N",
"formula_anonymous": "AB3",
"energy": -133.52153281,
"energy_per_atom": -8.345095800625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.07753281,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.080000Z",
"spacegroup": 19
},
{
"id": "mp-572674",
"created_at": "2022-09-04T14:39:18.612374Z",
"structure_string": "Re3 C6 I6 O6\n1.0\n12.798641 -3.652760 0.000000\n12.798641 3.652760 0.000000\n11.756135 0.000000 6.240284\nRe C I O\n3 6 6 6\ndirect\n0.908101 0.908101 0.908101 Re\n0.000000 0.000000 0.000000 Re\n0.091899 0.091899 0.091899 Re\n0.112839 0.341131 0.906329 C\n0.658869 0.093671 0.887161 C\n0.906329 0.112839 0.341131 C\n0.093671 0.887161 0.658869 C\n0.887161 0.658869 0.093671 C\n0.341131 0.906329 0.112839 C\n0.952516 0.258338 0.658392 I\n0.341609 0.047484 0.741662 I\n0.258338 0.658391 0.952516 I\n0.658391 0.952516 0.258338 I\n0.741662 0.341608 0.047484 I\n0.047484 0.741662 0.341609 I\n0.504464 0.209209 0.876674 O\n0.123326 0.495536 0.790791 O\n0.876674 0.504464 0.209209 O\n0.790791 0.123326 0.495536 O\n0.209209 0.876674 0.504464 O\n0.495536 0.790791 0.123326 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Re",
"C",
"I",
"O"
],
"chemical_system": "C-I-O-Re",
"density": 4.235106391888108,
"density_atomic": 0.035991500103274295,
"volume": 583.4710956682115,
"volume_molar": 16.732119369073317,
"formula_full": "Re3 C6 I6 O6",
"formula_reduced": "ReC2(IO)2",
"formula_anonymous": "AB2C2D2",
"energy": -148.62071110999997,
"energy_per_atom": -7.077176719523808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.22471111,
"band_gap": 0.6289999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0307891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.956000Z",
"spacegroup": 148
},
{
"id": "mp-1226893",
"created_at": "2022-09-04T14:39:18.618919Z",
"structure_string": "Cd1 Ga4 Hg1 Te8\n1.0\n6.052743 0.000000 0.000000\n3.026372 3.034680 6.418563\n3.026372 -9.088636 6.411208\nCd Ga Hg Te\n1 4 1 8\ndirect\n0.999962 0.500000 0.500000 Cd\n0.250573 0.375144 0.124854 Ga\n0.249447 0.874945 0.625059 Ga\n0.750571 0.624856 0.875146 Ga\n0.749451 0.125055 0.374941 Ga\n0.000467 0.000000 0.000000 Hg\n0.596696 0.548184 0.701323 Te\n0.595958 0.047199 0.201946 Te\n0.155510 0.326483 0.922584 Te\n0.153230 0.825966 0.423057 Te\n0.404577 0.673517 0.077416 Te\n0.402252 0.174034 0.576943 Te\n0.846203 0.451816 0.298677 Te\n0.845103 0.952801 0.798054 Te\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Hg",
"Te"
],
"chemical_system": "Cd-Ga-Hg-Te",
"density": 5.687401922565327,
"density_atomic": 0.029733166155931034,
"volume": 470.854665345061,
"volume_molar": 20.253950515790365,
"formula_full": "Cd1 Ga4 Hg1 Te8",
"formula_reduced": "CdGa4HgTe8",
"formula_anonymous": "ABC4D8",
"energy": -46.41324066,
"energy_per_atom": -3.3152314757142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.03724066,
"band_gap": 0.3917999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002981,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.039000Z",
"spacegroup": 5
},
{
"id": "mp-3228",
"created_at": "2022-09-04T14:39:18.621889Z",
"structure_string": "Hg2 S2 O8\n1.0\n4.929994 0.000000 0.000000\n0.000000 4.983485 0.000000\n0.000000 0.000000 6.665110\nHg S O\n2 2 8\ndirect\n0.823648 0.753800 0.500000 Hg\n0.176352 0.253800 0.000000 Hg\n0.319025 0.239360 0.500000 S\n0.680975 0.739360 0.000000 S\n0.819580 0.609778 0.822828 O\n0.180420 0.109778 0.677172 O\n0.180420 0.109778 0.322828 O\n0.819580 0.609778 0.177172 O\n0.385189 0.680296 0.000000 O\n0.614811 0.180296 0.500000 O\n0.714684 0.034887 0.000000 O\n0.285316 0.534887 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"S",
"O"
],
"chemical_system": "Hg-O-S",
"density": 6.0164510097134425,
"density_atomic": 0.07328150476751484,
"volume": 163.75209594931124,
"volume_molar": 8.217818096264818,
"formula_full": "Hg2 S2 O8",
"formula_reduced": "HgSO4",
"formula_anonymous": "ABC4",
"energy": -66.11829453,
"energy_per_atom": -5.5098578775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.62229453,
"band_gap": 1.3525,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004031,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.305000Z",
"spacegroup": 31
},
{
"id": "mp-1042213",
"created_at": "2022-09-04T14:39:18.624302Z",
"structure_string": "Ca6 Cu6 Mo12 O42\n1.0\n9.110162 0.000000 0.000000\n0.000000 10.646792 0.000000\n0.000000 0.902609 10.925922\nCa Cu Mo O\n6 6 12 42\ndirect\n0.434997 0.819760 0.574959 Ca\n0.930737 0.500000 0.750000 Ca\n0.434997 0.180240 0.925041 Ca\n0.069263 0.500000 0.250000 Ca\n0.565003 0.180240 0.425041 Ca\n0.565003 0.819760 0.074959 Ca\n0.935757 0.205095 0.411468 Cu\n0.064243 0.794905 0.588532 Cu\n0.445150 0.500000 0.250000 Cu\n0.935757 0.794905 0.088532 Cu\n0.554850 0.500000 0.750000 Cu\n0.064243 0.205095 0.911468 Cu\n0.208122 0.828893 0.290334 Mo\n0.741065 0.842089 0.382254 Mo\n0.258935 0.842089 0.882254 Mo\n0.791878 0.828893 0.790334 Mo\n0.288374 0.513426 0.963148 Mo\n0.741065 0.157911 0.117746 Mo\n0.711626 0.513426 0.463148 Mo\n0.258935 0.157911 0.617746 Mo\n0.288374 0.486574 0.536852 Mo\n0.711626 0.486574 0.036852 Mo\n0.791878 0.171107 0.709666 Mo\n0.208122 0.171107 0.209666 Mo\n0.782310 0.801659 0.960830 O\n0.763241 0.158374 0.281157 O\n0.850451 0.000000 0.750000 O\n0.883330 0.488421 0.112480 O\n0.389778 0.046091 0.570530 O\n0.927745 0.727346 0.714819 O\n0.351002 0.691953 0.941537 O\n0.116670 0.488421 0.612480 O\n0.716243 0.526150 0.870624 O\n0.389778 0.953909 0.929470 O\n0.716243 0.473850 0.629376 O\n0.424298 0.416900 0.883121 O\n0.912324 0.141569 0.044213 O\n0.072255 0.727346 0.214819 O\n0.648998 0.308047 0.058463 O\n0.351002 0.308047 0.558463 O\n0.927745 0.272654 0.785181 O\n0.610222 0.953909 0.429470 O\n0.217690 0.801659 0.460830 O\n0.575702 0.583100 0.116879 O\n0.381864 0.187036 0.284412 O\n0.283757 0.473850 0.129376 O\n0.087676 0.141569 0.544213 O\n0.283757 0.526150 0.370624 O\n0.883330 0.511579 0.387520 O\n0.575702 0.416900 0.383121 O\n0.116670 0.511579 0.887520 O\n0.618136 0.187036 0.784412 O\n0.618136 0.812964 0.715588 O\n0.087676 0.858431 0.955787 O\n0.072255 0.272654 0.285181 O\n0.782310 0.198341 0.539170 O\n0.149549 0.000000 0.250000 O\n0.236759 0.158374 0.781157 O\n0.610222 0.046091 0.070530 O\n0.912324 0.858431 0.455787 O\n0.217690 0.198341 0.039170 O\n0.763241 0.841626 0.218843 O\n0.424298 0.583100 0.616879 O\n0.648998 0.691953 0.441537 O\n0.236759 0.841626 0.718843 O\n0.381864 0.812964 0.215588 O\n",
"nsites": 66,
"nelements": 4,
"elements": [
"Ca",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ca-Cu-Mo-O",
"density": 3.831111418803764,
"density_atomic": 0.06227890532259857,
"volume": 1059.7488773787293,
"volume_molar": 9.669631681555588,
"formula_full": "Ca6 Cu6 Mo12 O42",
"formula_reduced": "CaCuMo2O7",
"formula_anonymous": "ABC2D7",
"energy": -507.56633311,
"energy_per_atom": -7.690398986515151,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -440.28833311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0012289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.496000Z",
"spacegroup": 13
},
{
"id": "mp-570548",
"created_at": "2022-09-04T14:39:18.629348Z",
"structure_string": "Na4 Pr16 I28 N8\n1.0\n11.237187 0.000000 0.000000\n0.000000 12.196213 0.000000\n0.000000 0.000000 14.515256\nNa Pr I N\n4 16 28 8\ndirect\n0.950212 0.754528 0.096818 Na\n0.450212 0.254528 0.403182 Na\n0.549788 0.754528 0.596818 Na\n0.049788 0.254528 0.903182 Na\n0.896163 0.557202 0.587139 Pr\n0.416837 0.820889 0.101393 Pr\n0.876352 0.080121 0.582242 Pr\n0.623648 0.080121 0.082242 Pr\n0.916837 0.320889 0.398607 Pr\n0.083163 0.820889 0.601393 Pr\n0.122975 0.314151 0.584790 Pr\n0.376352 0.580121 0.917758 Pr\n0.583163 0.320889 0.898607 Pr\n0.377025 0.314151 0.084790 Pr\n0.103837 0.057202 0.412861 Pr\n0.877025 0.814151 0.415210 Pr\n0.396163 0.057202 0.912861 Pr\n0.603837 0.557202 0.087139 Pr\n0.622975 0.814151 0.915210 Pr\n0.123648 0.580121 0.417758 Pr\n0.189616 0.788498 0.977592 I\n0.188311 0.292873 0.295511 I\n0.870869 0.093051 0.274645 I\n0.593948 0.330840 0.230734 I\n0.433871 0.034791 0.246031 I\n0.180730 0.113052 0.046595 I\n0.129131 0.593051 0.725355 I\n0.093948 0.830840 0.269266 I\n0.652066 0.958257 0.484530 I\n0.347934 0.458257 0.515470 I\n0.310384 0.788498 0.477592 I\n0.629131 0.093051 0.774645 I\n0.810384 0.288498 0.022408 I\n0.680730 0.613052 0.453405 I\n0.406052 0.830840 0.769266 I\n0.566129 0.534791 0.753969 I\n0.370869 0.593051 0.225355 I\n0.688311 0.792873 0.204489 I\n0.906052 0.330840 0.730734 I\n0.689616 0.288498 0.522408 I\n0.311689 0.292873 0.795511 I\n0.319270 0.113052 0.546595 I\n0.152066 0.458257 0.015470 I\n0.847934 0.958257 0.984530 I\n0.933871 0.534791 0.253969 I\n0.819270 0.613052 0.953405 I\n0.066129 0.034791 0.746031 I\n0.811689 0.792873 0.704489 I\n0.984688 0.943452 0.503115 N\n0.494522 0.192626 0.996755 N\n0.515312 0.943452 0.003115 N\n0.484688 0.443452 0.996885 N\n0.015312 0.443452 0.496885 N\n0.505478 0.692626 0.003245 N\n0.005478 0.192626 0.496755 N\n0.994522 0.692626 0.503245 N\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Na",
"Pr",
"I",
"N"
],
"chemical_system": "I-N-Na-Pr",
"density": 5.018231183097375,
"density_atomic": 0.02815015034751127,
"volume": 1989.3321814869423,
"volume_molar": 21.392925741628986,
"formula_full": "Na4 Pr16 I28 N8",
"formula_reduced": "NaPr4I7N2",
"formula_anonymous": "AB2C4D7",
"energy": -287.05709545,
"energy_per_atom": -5.126019561607143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -273.55709545,
"band_gap": 2.6048,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.02e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.430000Z",
"spacegroup": 33
},
{
"id": "mp-631324",
"created_at": "2022-09-04T14:39:18.629693Z",
"structure_string": "Hf1 Mn1 Tl1\n1.0\n0.000000 3.232968 3.232968\n3.232968 0.000000 3.232968\n3.232968 3.232968 0.000000\nHf Mn Tl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Mn",
"Tl"
],
"chemical_system": "Hf-Mn-Tl",
"density": 10.75726568687613,
"density_atomic": 0.04439019380469002,
"volume": 67.58249385437549,
"volume_molar": 13.566376363429471,
"formula_full": "Hf1 Mn1 Tl1",
"formula_reduced": "HfMnTl",
"formula_anonymous": "ABC",
"energy": -18.73009914,
"energy_per_atom": -6.24336638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.73009914,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4618052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.904000Z",
"spacegroup": 216
},
{
"id": "mp-864647",
"created_at": "2022-09-04T14:39:18.631524Z",
"structure_string": "Hf4 N2\n1.0\n5.348034 0.000000 0.000000\n0.000000 5.348034 0.000000\n0.000000 0.000000 3.254331\nHf N\n4 2\ndirect\n0.295372 0.295372 0.000000 Hf\n0.704628 0.704628 0.000000 Hf\n0.204628 0.795372 0.500000 Hf\n0.795372 0.204628 0.500000 Hf\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.236933619911717,
"density_atomic": 0.0644616188538018,
"volume": 93.0786428682148,
"volume_molar": 9.342211485035996,
"formula_full": "Hf4 N2",
"formula_reduced": "Hf2N",
"formula_anonymous": "AB2",
"energy": -64.68434195,
"energy_per_atom": -10.780723658333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.96234195,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.160000Z",
"spacegroup": 136
},
{
"id": "mp-5748",
"created_at": "2022-09-04T14:39:18.633486Z",
"structure_string": "Hf1 Al1 Ni2\n1.0\n0.000000 3.041138 3.041138\n3.041138 0.000000 3.041138\n3.041138 3.041138 0.000000\nHf Al Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Ni"
],
"chemical_system": "Al-Hf-Ni",
"density": 9.530654492837588,
"density_atomic": 0.07110851546781617,
"volume": 56.252053269350085,
"volume_molar": 8.46894457067611,
"formula_full": "Hf1 Al1 Ni2",
"formula_reduced": "HfAlNi2",
"formula_anonymous": "ABC2",
"energy": -27.80893289,
"energy_per_atom": -6.9522332225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.80893289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043483,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:39.407000Z",
"spacegroup": 225
},
{
"id": "mp-1517097",
"created_at": "2022-09-04T14:39:20.096370Z",
"structure_string": "Ca2 Fe1 Bi1 O6\n1.0\n0.000000 -4.062625 -4.062625\n4.062625 -0.000000 -4.062625\n4.062625 -4.062625 0.000000\nCa Fe Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Fe\n0.000000 -0.000000 -0.000000 Bi\n0.743793 0.256207 0.256207 O\n0.256207 0.743793 0.743793 O\n0.743793 0.256207 0.743793 O\n0.256207 0.743793 0.256207 O\n0.743793 0.743793 0.256207 O\n0.256207 0.256207 0.743793 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Fe-O",
"density": 5.460288858320892,
"density_atomic": 0.07456753629418907,
"volume": 134.10661659180076,
"volume_molar": 8.076089219631756,
"formula_full": "Ca2 Fe1 Bi1 O6",
"formula_reduced": "Ca2FeBiO6",
"formula_anonymous": "ABC2D6",
"energy": -67.08135263,
"energy_per_atom": -6.708135263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.70335263,
"band_gap": 0.4893,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 5.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.824000Z",
"spacegroup": 225
},
{
"id": "mp-1101443",
"created_at": "2022-09-04T14:39:18.640120Z",
"structure_string": "Nd2 Ta6 O18\n1.0\n2.793542 8.365760 0.000000\n-2.793542 8.365760 0.000000\n0.000000 5.574217 7.958010\nNd Ta O\n2 6 18\ndirect\n0.332216 0.332216 0.000476 Nd\n0.667784 0.667784 0.999524 Nd\n0.584072 0.584072 0.748025 Ta\n0.749532 0.749532 0.261221 Ta\n0.077326 0.077326 0.257569 Ta\n0.415928 0.415928 0.251975 Ta\n0.250468 0.250468 0.738779 Ta\n0.922674 0.922674 0.742431 Ta\n0.574330 0.096254 0.231138 O\n0.500000 0.500000 0.000000 O\n0.096254 0.574330 0.231138 O\n0.728362 0.250567 0.768860 O\n0.000000 0.000000 0.500000 O\n0.665763 0.665763 0.501817 O\n0.925921 0.426215 0.222104 O\n0.826236 0.826236 0.000109 O\n0.173764 0.173764 0.999891 O\n0.573785 0.074079 0.777896 O\n0.749433 0.271638 0.231140 O\n0.250567 0.728362 0.768860 O\n0.426215 0.925921 0.222104 O\n0.334237 0.334237 0.498183 O\n0.271638 0.749433 0.231140 O\n0.074079 0.573785 0.777896 O\n0.903746 0.425670 0.768862 O\n0.425670 0.903746 0.768862 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Nd",
"Ta",
"O"
],
"chemical_system": "Nd-O-Ta",
"density": 7.4203940241458195,
"density_atomic": 0.06990017536762183,
"volume": 371.95900959131717,
"volume_molar": 8.615344279650392,
"formula_full": "Nd2 Ta6 O18",
"formula_reduced": "NdTa3O9",
"formula_anonymous": "AB3C9",
"energy": -260.48048505,
"energy_per_atom": -10.01848019423077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.11448505,
"band_gap": 2.2375000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.375000Z",
"spacegroup": 12
},
{
"id": "mp-866126",
"created_at": "2022-09-04T14:39:18.643346Z",
"structure_string": "Dy1 Nb1 Ru2\n1.0\n0.000000 3.281890 3.281890\n3.281890 0.000000 3.281890\n3.281890 3.281890 0.000000\nDy Nb Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Nb",
"Ru"
],
"chemical_system": "Dy-Nb-Ru",
"density": 10.746874163068487,
"density_atomic": 0.05657934739850521,
"volume": 70.69717456843055,
"volume_molar": 10.643708414634526,
"formula_full": "Dy1 Nb1 Ru2",
"formula_reduced": "DyNbRu2",
"formula_anonymous": "ABC2",
"energy": -34.43244691,
"energy_per_atom": -8.6081117275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.43244691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008832,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.854000Z",
"spacegroup": 225
}
]
}