{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10225","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=10223","results":[{"id":"mp-1206527","created_at":"2022-09-04T14:42:40.488179Z","structure_string":"Tb2 Sb2 Pd2\n1.0\n2.300817 -3.985131 0.000000\n2.300817 3.985131 0.000000\n0.000000 0.000000 7.447856\nTb Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.985290 Tb\n0.000000 0.000000 0.485290 Tb\n0.666667 0.333333 0.710073 Sb\n0.333333 0.666667 0.210073 Sb\n0.666667 0.333333 0.313637 Pd\n0.333333 0.666667 0.813637 Pd\n","nsites":6,"nelements":3,"elements":["Tb","Sb","Pd"],"chemical_system":"Pd-Sb-Tb","density":9.412875619720317,"density_atomic":0.043930414775655256,"volume":136.5796346481344,"volume_molar":13.708363080007308,"formula_full":"Tb2 Sb2 Pd2","formula_reduced":"TbSbPd","formula_anonymous":"ABC","energy":-34.3837674,"energy_per_atom":-5.730627900000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.3837674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0022673,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.597000Z","spacegroup":186},{"id":"mp-554388","created_at":"2022-09-04T14:42:02.524241Z","structure_string":"Zn4 Ga12 N12 O4\n1.0\n6.492848 0.000000 0.000000\n-3.242187 5.625895 0.000000\n-0.002272 -0.004136 10.541618\nZn Ga N O\n4 12 12 4\ndirect\n0.172745 0.844320 0.734724 Zn\n0.833376 0.666665 0.486634 Zn\n0.161671 0.322652 0.734366 Zn\n0.333505 0.666492 0.489282 Zn\n0.343674 0.671441 0.006931 Ga\n0.658821 0.322004 0.745454 Ga\n0.669462 0.842380 0.747219 Ga\n0.823775 0.162390 0.004984 Ga\n0.822873 0.660745 0.005150 Ga\n0.831142 0.164168 0.495037 Ga\n0.166269 0.834215 0.256480 Ga\n0.667062 0.332719 0.254754 Ga\n0.164863 0.331559 0.254839 Ga\n0.668206 0.835094 0.256763 Ga\n0.343829 0.172254 0.005777 Ga\n0.334187 0.166139 0.496585 Ga\n0.668268 0.834262 0.936802 N\n0.344601 0.174912 0.684743 N\n0.670784 0.841994 0.437172 N\n0.662945 0.325148 0.436612 N\n0.171689 0.842994 0.437398 N\n0.332717 0.666091 0.187910 N\n0.333012 0.166819 0.186491 N\n0.161674 0.324271 0.437414 N\n0.824336 0.163377 0.686408 N\n0.667945 0.333659 0.936364 N\n0.833146 0.666299 0.187444 N\n0.833573 0.167071 0.186648 N\n0.345216 0.670859 0.701294 O\n0.167132 0.334108 0.948535 O\n0.166577 0.832537 0.947305 O\n0.820924 0.660360 0.702464 O\n","nsites":32,"nelements":4,"elements":["Zn","Ga","N","O"],"chemical_system":"Ga-N-O-Zn","density":5.737120033769798,"density_atomic":0.0831028361002529,"volume":385.06507721825653,"volume_molar":7.2466128024019065,"formula_full":"Zn4 Ga12 N12 O4","formula_reduced":"ZnGa3N3O","formula_anonymous":"ABC3D3","energy":-189.07518135,"energy_per_atom":-5.9085994171875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-181.99518135,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002177,"is_theoretical":true,"updated_at":"2021-11-28T01:35:37.263000Z","spacegroup":1},{"id":"mp-1188559","created_at":"2022-09-04T14:42:02.531812Z","structure_string":"Y4 Ag4 Se8\n1.0\n4.286599 0.000000 0.000000\n0.000000 6.855782 0.000000\n0.000000 0.000000 13.866074\nY Ag Se\n4 4 8\ndirect\n0.271166 0.708891 0.628046 Y\n0.771166 0.791109 0.371954 Y\n0.728834 0.208891 0.871954 Y\n0.228834 0.291109 0.128046 Y\n0.497955 0.704397 0.875818 Ag\n0.997955 0.795603 0.124182 Ag\n0.502045 0.204397 0.624182 Ag\n0.002045 0.295603 0.375818 Ag\n0.769573 0.910929 0.726884 Se\n0.269573 0.589071 0.273116 Se\n0.230427 0.410929 0.773116 Se\n0.730427 0.089071 0.226884 Se\n0.765443 0.511777 0.527067 Se\n0.265443 0.988223 0.472933 Se\n0.234557 0.011777 0.972933 Se\n0.734557 0.488223 0.027067 Se\n","nsites":16,"nelements":3,"elements":["Y","Ag","Se"],"chemical_system":"Ag-Se-Y","density":5.78148789493861,"density_atomic":0.03926418716929522,"volume":407.49601999941757,"volume_molar":15.337489947351674,"formula_full":"Y4 Ag4 Se8","formula_reduced":"YAgSe2","formula_anonymous":"ABC2","energy":-88.34880901999999,"energy_per_atom":-5.521800563749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.57280902,"band_gap":1.2797999999999998,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0073873,"is_theoretical":false,"updated_at":"2021-11-28T01:35:39.351000Z","spacegroup":19},{"id":"mp-1214820","created_at":"2022-09-04T14:42:02.535080Z","structure_string":"Ca6 Si2 H28 C2 S2 O20\n1.0\n4.577045 -7.927674 0.000000\n4.577045 7.927674 0.000000\n0.000000 0.000000 10.024551\nCa Si H C S O\n6 2 28 2 2 20\ndirect\n0.952129 0.195579 0.752342 Ca\n0.243451 0.047871 0.752342 Ca\n0.047871 0.804421 0.252342 Ca\n0.804421 0.756549 0.752342 Ca\n0.756549 0.952129 0.252342 Ca\n0.195579 0.243451 0.252342 Ca\n0.000000 0.000000 0.960086 Si\n0.000000 0.000000 0.460086 Si\n0.666667 0.333333 0.880994 H\n0.333333 0.666667 0.380994 H\n0.738990 0.137099 0.449983 H\n0.398109 0.261010 0.449983 H\n0.261010 0.862901 0.949983 H\n0.862901 0.601891 0.449983 H\n0.601891 0.738990 0.949983 H\n0.137099 0.398109 0.949983 H\n0.666667 0.333333 0.281183 H\n0.333333 0.666667 0.781183 H\n0.454996 0.826837 0.718714 H\n0.371841 0.545004 0.718714 H\n0.545004 0.173163 0.218714 H\n0.173163 0.628159 0.718714 H\n0.628159 0.454996 0.218714 H\n0.826837 0.371841 0.218714 H\n0.181714 0.608001 0.795940 H\n0.426287 0.818286 0.795940 H\n0.818286 0.391999 0.295940 H\n0.391999 0.573713 0.795940 H\n0.573713 0.181714 0.295940 H\n0.608001 0.426287 0.295940 H\n0.092347 0.448727 0.956042 H\n0.356380 0.907653 0.956042 H\n0.907653 0.551273 0.456042 H\n0.551273 0.643620 0.956042 H\n0.643620 0.092347 0.456042 H\n0.448727 0.356380 0.456042 H\n0.666667 0.333333 0.692609 C\n0.333333 0.666667 0.192609 C\n0.666667 0.333333 0.014808 S\n0.333333 0.666667 0.514808 S\n0.822399 0.973749 0.893595 O\n0.151350 0.177601 0.893595 O\n0.177601 0.026251 0.393595 O\n0.026251 0.848650 0.893595 O\n0.848650 0.822399 0.393595 O\n0.973749 0.151350 0.393595 O\n0.789435 0.300742 0.695389 O\n0.511307 0.210565 0.695389 O\n0.210565 0.699258 0.195389 O\n0.699258 0.488693 0.695389 O\n0.488693 0.789435 0.195389 O\n0.300742 0.511307 0.195389 O\n0.293863 0.495498 0.556198 O\n0.201635 0.706137 0.556198 O\n0.706137 0.504502 0.056198 O\n0.504502 0.798365 0.556198 O\n0.798365 0.293863 0.056198 O\n0.495498 0.201635 0.056198 O\n0.000000 0.000000 0.625707 O\n0.000000 0.000000 0.125707 O\n","nsites":60,"nelements":6,"elements":["Ca","Si","H","C","S","O"],"chemical_system":"C-Ca-H-O-S-Si","density":1.6731219937557058,"density_atomic":0.0824755764921814,"volume":727.4880946808288,"volume_molar":7.30172617898693,"formula_full":"Ca6 Si2 H28 C2 S2 O20","formula_reduced":"Ca3SiH14CSO10","formula_anonymous":"ABCD3E10F14","energy":-320.16970875,"energy_per_atom":-5.336161812499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.42970875,"band_gap":2.1723,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001432,"is_theoretical":true,"updated_at":"2021-11-28T01:35:39.737000Z","spacegroup":173},{"id":"mp-781082","created_at":"2022-09-04T14:42:02.540374Z","structure_string":"Sr14 Cr14 O42\n1.0\n5.543739 0.000000 0.000000\n-2.767453 4.813000 0.000000\n-0.005397 -0.052319 32.258115\nSr Cr O\n14 14 42\ndirect\n0.666528 0.332919 0.039835 Sr\n0.666385 0.333386 0.176754 Sr\n0.663263 0.332441 0.750004 Sr\n0.000775 0.002734 0.105669 Sr\n0.004193 0.005317 0.394109 Sr\n0.005531 0.002862 0.605744 Sr\n0.667588 0.334538 0.323199 Sr\n0.667914 0.334017 0.459797 Sr\n0.004930 0.002527 0.894465 Sr\n0.331486 0.662635 0.250060 Sr\n0.332958 0.666537 0.540138 Sr\n0.335016 0.667361 0.676597 Sr\n0.334368 0.668005 0.823540 Sr\n0.332804 0.667267 0.960184 Sr\n0.676690 0.337887 0.565872 Cr\n0.675830 0.338867 0.645381 Cr\n0.003616 0.005006 0.000071 Cr\n0.001620 0.003332 0.210715 Cr\n0.002155 0.003812 0.289361 Cr\n0.005355 0.006661 0.499926 Cr\n0.004678 0.004571 0.710663 Cr\n0.003846 0.004712 0.789395 Cr\n0.675253 0.338863 0.854431 Cr\n0.676342 0.336954 0.933928 Cr\n0.334800 0.674438 0.066003 Cr\n0.335285 0.672633 0.145591 Cr\n0.338253 0.675000 0.354611 Cr\n0.339047 0.677359 0.434130 Cr\n0.847258 0.694217 0.250027 O\n0.827150 0.663452 0.677340 O\n0.824673 0.661005 0.822611 O\n0.827299 0.667010 0.534428 O\n0.830344 0.666914 0.965476 O\n0.513924 0.483627 0.606200 O\n0.513720 0.484210 0.893869 O\n0.326652 0.160329 0.821527 O\n0.308100 0.151283 0.250200 O\n0.316934 0.157856 0.534354 O\n0.984951 0.492324 0.605702 O\n0.984707 0.492699 0.893971 O\n0.319152 0.158409 0.965733 O\n0.328163 0.161921 0.678598 O\n0.515135 0.030824 0.605911 O\n0.515238 0.030873 0.893953 O\n0.151190 0.844975 0.750277 O\n0.824297 0.163197 0.534466 O\n0.826901 0.163738 0.965325 O\n0.162838 0.827041 0.177581 O\n0.163195 0.826913 0.322688 O\n0.827162 0.161647 0.677375 O\n0.825209 0.160295 0.822085 O\n0.164392 0.829586 0.034747 O\n0.162408 0.824792 0.465388 O\n0.843964 0.151892 0.250017 O\n0.490297 0.980335 0.105562 O\n0.492553 0.983507 0.394489 O\n0.695145 0.846790 0.749848 O\n0.671157 0.833165 0.034048 O\n0.667382 0.829444 0.465794 O\n0.027804 0.512765 0.106632 O\n0.030852 0.514289 0.393694 O\n0.663914 0.826818 0.177393 O\n0.664803 0.826994 0.322529 O\n0.484312 0.513197 0.106205 O\n0.485927 0.514639 0.393832 O\n0.162679 0.328178 0.034009 O\n0.158806 0.321350 0.465998 O\n0.164437 0.327550 0.178861 O\n0.164708 0.327556 0.321389 O\n0.154258 0.310250 0.749689 O\n","nsites":70,"nelements":3,"elements":["Sr","Cr","O"],"chemical_system":"Cr-O-Sr","density":5.067403038596599,"density_atomic":0.08132806080513671,"volume":860.7115343340237,"volume_molar":7.404751447878662,"formula_full":"Sr14 Cr14 O42","formula_reduced":"SrCrO3","formula_anonymous":"ABC3","energy":-547.18186882,"energy_per_atom":-7.816883840285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-490.34186882,"band_gap":0.6759,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":27.9990937,"is_theoretical":true,"updated_at":"2021-11-28T01:35:33.588000Z","spacegroup":40},{"id":"mp-1099896","created_at":"2022-09-04T14:42:02.543292Z","structure_string":"La6 Sm2 Cr5 Fe3 O24\n1.0\n7.841633 0.000000 0.000000\n0.000000 7.841955 0.000000\n0.000000 0.001426 7.843363\nLa Sm Cr Fe O\n6 2 5 3 24\ndirect\n0.749715 0.749711 0.749129 La\n0.250285 0.749711 0.749129 La\n0.749685 0.749712 0.250826 La\n0.250315 0.749712 0.250826 La\n0.749721 0.250302 0.250823 La\n0.250279 0.250302 0.250823 La\n0.749685 0.250321 0.749100 Sm\n0.250315 0.250321 0.749100 Sm\n0.000000 0.000466 0.500438 Cr\n0.500000 0.000452 0.500436 Cr\n0.500000 0.499593 0.999546 Cr\n0.000000 0.499548 0.500430 Cr\n0.500000 0.499523 0.500470 Cr\n0.000000 0.000636 0.999348 Fe\n0.500000 0.000652 0.999338 Fe\n0.000000 0.499376 0.999342 Fe\n0.000000 0.749690 0.999802 O\n0.500000 0.749466 0.999790 O\n0.000000 0.749912 0.500133 O\n0.500000 0.749778 0.500147 O\n0.000000 0.250299 0.997546 O\n0.500000 0.250555 0.997381 O\n0.000000 0.250073 0.502836 O\n0.500000 0.250199 0.502831 O\n0.000000 0.002611 0.749028 O\n0.500000 0.002632 0.749086 O\n0.000000 0.000176 0.250959 O\n0.500000 0.000194 0.250894 O\n0.000000 0.497380 0.749090 O\n0.500000 0.497176 0.749532 O\n0.000000 0.499845 0.250898 O\n0.500000 0.499857 0.250488 O\n0.749694 0.001321 0.998651 O\n0.250306 0.001321 0.998651 O\n0.749922 0.001516 0.501503 O\n0.250078 0.001516 0.501503 O\n0.749450 0.498594 0.998559 O\n0.250550 0.498594 0.998559 O\n0.749789 0.498479 0.501513 O\n0.250211 0.498479 0.501513 O\n","nsites":40,"nelements":5,"elements":["La","Sm","Cr","Fe","O"],"chemical_system":"Cr-Fe-La-O-Sm","density":6.69856100724416,"density_atomic":0.08293289340791343,"volume":482.31767102657494,"volume_molar":7.26146226489352,"formula_full":"La6 Sm2 Cr5 Fe3 O24","formula_reduced":"La6Sm2Cr5(FeO8)3","formula_anonymous":"A2B3C5D6E24","energy":-349.05832378,"energy_per_atom":-8.7264580945,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-315.80732378,"band_gap":1.5518,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.0017072,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.545000Z","spacegroup":6},{"id":"mp-21036","created_at":"2022-09-04T14:42:02.546253Z","structure_string":"Na2 Mn2 O4\n1.0\n2.921155 0.000000 0.000000\n0.000000 4.876415 0.000000\n0.000000 0.000000 6.422235\nNa Mn O\n2 2 4\ndirect\n0.250001 0.249999 0.123279 Na\n0.749999 0.749999 0.876720 Na\n0.250001 0.249999 0.624594 Mn\n0.749999 0.749999 0.375407 Mn\n0.749999 0.249999 0.418059 O\n0.250001 0.749999 0.581941 O\n0.749999 0.249999 0.828336 O\n0.250001 0.749999 0.171665 O\n","nsites":8,"nelements":3,"elements":["Na","Mn","O"],"chemical_system":"Mn-Na-O","density":3.990621074875962,"density_atomic":0.08744772864491981,"volume":91.48322230853908,"volume_molar":6.886560524004931,"formula_full":"Na2 Mn2 O4","formula_reduced":"NaMnO2","formula_anonymous":"ABC2","energy":-56.90094279,"energy_per_atom":-7.11261784875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-50.81694279,"band_gap":0.6187999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0000462,"is_theoretical":false,"updated_at":"2021-11-28T01:35:31.197000Z","spacegroup":59},{"id":"mp-1245827","created_at":"2022-09-04T14:42:02.553706Z","structure_string":"Ge4 S2 N4\n1.0\n6.339034 -0.860642 0.431567\n-4.256030 6.909208 0.000000\n0.456139 0.280979 4.619792\nGe S N\n4 2 4\ndirect\n0.026950 0.797298 0.920440 Ge\n0.026950 0.229652 0.920440 Ge\n0.402080 0.358250 0.220448 Ge\n0.402080 0.043829 0.220448 Ge\n0.354263 0.677132 0.438703 S\n0.880483 0.940242 0.668759 S\n0.219940 0.779250 0.558608 N\n0.219940 0.440689 0.558608 N\n0.752958 0.172816 0.180772 N\n0.752958 0.580142 0.180772 N\n","nsites":10,"nelements":3,"elements":["Ge","S","N"],"chemical_system":"Ge-N-S","density":3.715909961994956,"density_atomic":0.05448458122568433,"volume":183.5381639179406,"volume_molar":11.052926579457916,"formula_full":"Ge4 S2 N4","formula_reduced":"Ge2SN2","formula_anonymous":"AB2C2","energy":-56.698448940000006,"energy_per_atom":-5.669844894000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-55.25444894,"band_gap":0.2162999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004964,"is_theoretical":true,"updated_at":"2021-11-28T01:35:38.045000Z","spacegroup":8},{"id":"mp-1192984","created_at":"2022-09-04T14:42:02.622207Z","structure_string":"Al5 Re24\n1.0\n-4.813719 4.813719 4.813719\n4.813719 -4.813719 4.813719\n4.813719 4.813719 -4.813719\nAl Re\n5 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.641006 0.000000 0.000000 Al\n0.000000 0.641006 0.000000 Al\n0.000000 0.000000 0.641006 Al\n0.358994 0.358994 0.358994 Al\n0.398531 0.680373 0.000000 Re\n0.718158 0.319627 0.319627 Re\n0.398531 0.000000 0.680373 Re\n0.680373 0.398531 0.000000 Re\n0.000000 0.398531 0.680373 Re\n0.319627 0.718158 0.319627 Re\n0.319627 0.319627 0.718158 Re\n0.000000 0.680373 0.398531 Re\n0.680373 0.000000 0.398531 Re\n0.601469 0.601469 0.281842 Re\n0.281842 0.601469 0.601469 Re\n0.601469 0.281842 0.601469 Re\n0.374914 0.191604 0.000000 Re\n0.183310 0.808396 0.808396 Re\n0.374914 0.000000 0.191604 Re\n0.191604 0.374914 0.000000 Re\n0.000000 0.374914 0.191604 Re\n0.808396 0.183310 0.808396 Re\n0.808396 0.808396 0.183310 Re\n0.000000 0.191604 0.374914 Re\n0.191604 0.000000 0.374914 Re\n0.625086 0.625086 0.816690 Re\n0.816690 0.625086 0.625086 Re\n0.625086 0.816690 0.625086 Re\n","nsites":29,"nelements":2,"elements":["Al","Re"],"chemical_system":"Al-Re","density":17.13446270784569,"density_atomic":0.06499737270315166,"volume":446.1718803996183,"volume_molar":9.265206437656504,"formula_full":"Al5 Re24","formula_reduced":"Al5Re24","formula_anonymous":"A5B24","energy":-319.57021094,"energy_per_atom":-11.019662446206896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.57021094,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0101838,"is_theoretical":false,"updated_at":"2021-11-28T01:35:35.742000Z","spacegroup":217},{"id":"mp-1329459","created_at":"2022-09-04T14:42:02.673784Z","structure_string":"Mg12 Co8 Ge12 O48\n1.0\n-5.933145 5.933145 5.933145\n5.933145 -5.933145 5.933145\n5.933145 5.933145 -5.933145\nMg Co Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.420484 0.822769 0.795210 O\n0.874726 0.402286 0.079516 O\n0.097714 0.972440 0.677231 O\n0.527560 0.625274 0.704790 O\n0.677231 0.079516 0.704790 O\n0.625274 0.704790 0.527560 O\n0.625274 0.420484 0.097714 O\n0.704790 0.527560 0.625274 O\n0.822769 0.527560 0.402286 O\n0.972440 0.795210 0.874726 O\n0.795210 0.874726 0.972440 O\n0.704790 0.677231 0.079516 O\n0.420484 0.097714 0.625274 O\n0.402286 0.822769 0.527560 O\n0.079516 0.704790 0.677231 O\n0.097714 0.625274 0.420484 O\n0.527560 0.402286 0.822769 O\n0.079516 0.874726 0.402286 O\n0.972440 0.677231 0.097714 O\n0.177231 0.472440 0.597714 O\n0.677231 0.097714 0.972440 O\n0.795210 0.420484 0.822769 O\n0.402286 0.079516 0.874726 O\n0.874726 0.972440 0.795210 O\n0.579516 0.177231 0.204790 O\n0.125274 0.597714 0.920484 O\n0.902286 0.027560 0.322769 O\n0.472440 0.374726 0.295210 O\n0.322769 0.920484 0.295210 O\n0.374726 0.295210 0.472440 O\n0.374726 0.579516 0.902286 O\n0.295210 0.472440 0.374726 O\n0.125274 0.027560 0.204790 O\n0.597714 0.920484 0.125274 O\n0.204790 0.579516 0.177231 O\n0.177231 0.204790 0.579516 O\n0.322769 0.902286 0.027560 O\n0.027560 0.322769 0.902286 O\n0.920484 0.125274 0.597714 O\n0.472440 0.597714 0.177231 O\n0.902286 0.374726 0.579516 O\n0.920484 0.295210 0.322769 O\n0.597714 0.177231 0.472440 O\n0.579516 0.902286 0.374726 O\n0.295210 0.322769 0.920484 O\n0.204790 0.125274 0.027560 O\n0.027560 0.204790 0.125274 O\n0.822769 0.795210 0.420484 O\n","nsites":80,"nelements":4,"elements":["Mg","Co","Ge","O"],"chemical_system":"Co-Ge-Mg-O","density":4.775816617434427,"density_atomic":0.09575800932609739,"volume":835.4392552957679,"volume_molar":6.288915989775862,"formula_full":"Mg12 Co8 Ge12 O48","formula_reduced":"Mg3Co2(GeO4)3","formula_anonymous":"A2B3C3D12","energy":-542.47794451,"energy_per_atom":-6.7809743063750005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-496.39794451,"band_gap":2.4734000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.000207,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.655000Z","spacegroup":230},{"id":"mp-753348","created_at":"2022-09-04T14:42:02.749212Z","structure_string":"Fe2 Co4 O8\n1.0\n-4.150195 4.249492 -0.005410\n4.150195 -0.005410 4.249492\n4.150195 4.249492 -0.005410\nFe Co O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Co\n0.121612 0.250000 0.128388 Co\n0.878388 0.750000 0.871612 Co\n0.000000 0.500000 0.500000 Co\n0.741293 0.481052 0.277655 O\n0.741293 0.018948 0.739758 O\n0.746726 0.481464 0.734737 O\n0.283799 0.018536 0.734737 O\n0.716201 0.981464 0.265263 O\n0.253274 0.518536 0.265263 O\n0.258707 0.981052 0.260242 O\n0.258707 0.518948 0.722345 O\n","nsites":14,"nelements":3,"elements":["Fe","Co","O"],"chemical_system":"Co-Fe-O","density":5.266873327101688,"density_atomic":0.09340200716136074,"volume":149.88971249636728,"volume_molar":6.447549622350391,"formula_full":"Fe2 Co4 O8","formula_reduced":"Fe(CoO2)2","formula_anonymous":"AB2C4","energy":-104.93122942,"energy_per_atom":-7.495087815714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.37122942,"band_gap":0.2705999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":15.999925,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.276000Z","spacegroup":74},{"id":"mp-617442","created_at":"2022-09-04T14:42:02.910386Z","structure_string":"Rb4 Ta4 Cu8 Te16\n1.0\n6.024256 0.000000 0.000000\n0.000000 8.250626 0.000000\n0.000000 0.000000 20.492393\nRb Ta Cu Te\n4 4 8 16\ndirect\n0.742678 0.256497 0.063435 Rb\n0.242678 0.243503 0.563435 Rb\n0.242678 0.743503 0.936565 Rb\n0.742678 0.756497 0.436565 Rb\n0.499544 0.755334 0.145149 Ta\n0.999544 0.744666 0.645149 Ta\n0.999544 0.244666 0.854851 Ta\n0.499544 0.255334 0.354851 Ta\n0.500051 0.244877 0.855145 Cu\n0.000051 0.255123 0.355145 Cu\n0.988589 0.496453 0.750831 Cu\n0.488589 0.503547 0.249169 Cu\n0.500051 0.744877 0.644855 Cu\n0.488589 0.003547 0.250831 Cu\n0.988589 0.996453 0.749169 Cu\n0.000051 0.755123 0.144855 Cu\n0.247249 0.994157 0.357329 Te\n0.257568 0.746404 0.750867 Te\n0.257568 0.246404 0.749133 Te\n0.747249 0.505843 0.857329 Te\n0.747044 0.983601 0.855318 Te\n0.249277 0.741129 0.540037 Te\n0.757568 0.253596 0.249133 Te\n0.749277 0.758871 0.040037 Te\n0.747044 0.483601 0.644682 Te\n0.749277 0.258871 0.459963 Te\n0.247044 0.516399 0.355318 Te\n0.747249 0.005843 0.642671 Te\n0.249277 0.241129 0.959963 Te\n0.247249 0.494157 0.142671 Te\n0.757568 0.753596 0.250867 Te\n0.247044 0.016399 0.144682 Te\n","nsites":32,"nelements":4,"elements":["Rb","Ta","Cu","Te"],"chemical_system":"Cu-Rb-Ta-Te","density":5.894543393003149,"density_atomic":0.03141716423151553,"volume":1018.5515078378655,"volume_molar":19.168314223468343,"formula_full":"Rb4 Ta4 Cu8 Te16","formula_reduced":"RbTa(CuTe2)2","formula_anonymous":"ABC2D4","energy":-155.6790527,"energy_per_atom":-4.864970396875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-148.9270527,"band_gap":1.1424,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002542,"is_theoretical":true,"updated_at":"2021-11-28T01:35:35.729000Z","spacegroup":33}]}