e_above_hull float64 0 0.1 | e_form float64 -6.19 0.1 | mat_id stringlengths 12 12 | formula stringlengths 1 18 ⌀ | elements stringlengths 5 40 | spg int64 1 229 | band_gap_dir float64 0 18 | band_gap_ind float64 0 17.7 | nsites int64 1 20 | structure stringlengths 494 5.93k |
|---|---|---|---|---|---|---|---|---|---|
0 | -1.73807 | agm003187479 | RbSmSe2 | ['Se', 'Rb', 'Sm'] | 166 | 2.4949 | 1.8964 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.39405662, -0.00019345, -0.000117], [7.27786854, 4.1824414, -0.000117], [7.27786839, 1.9421896, 3.70414744]], 'pbc': [True, True, True], 'a': 8.39405662304453, 'b': 8.394056621422369, 'c': 8.394056051860025, 'alpha': 29.... |
0.047707 | -0.435735 | agm002248267 | NdAl2Os | ['Nd', 'Os', 'Al'] | 63 | 0 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.12207533, -0.01242838, 0.0], [-2.05576695, 5.33444731, 0.0], [0.0, 0.0, 7.40779393]], 'pbc': [True, True, True], 'a': 4.122094066227024, 'b': 5.716861538980854, 'c': 7.40779393, 'alpha': 90.0, 'beta': 90.0, 'gamma': 111... |
0.084826 | -0.31418 | agm005798120 | KAgTe3 | ['K', 'Ag', 'Te'] | 14 | 0.047 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.87054896, 0.0, 0.25100726], [0.0, 8.93319126, 0.0], [-1.66909597, 0.0, 13.31831857]], 'pbc': [True, True, True], 'a': 5.875912672626252, 'b': 8.93319126, 'c': 13.42249942779202, 'alpha': 90.0, 'beta': 94.69494945589899,... |
0.074294 | -0.200315 | agm006099889 | Pm(H2Pd)6 | ['Pm', 'H', 'Pd'] | 148 | 0 | 0 | 19 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.86685699, -0.30820046, -2.18755655], [-3.0535377, 5.01905427, -2.1875565], [-0.18405747, -0.30820056, 6.25871787]], 'pbc': [True, True, True], 'a': 6.269003279956389, 'b': 6.26900324543055, 'c': 6.269004236216822, 'alph... |
0.033952 | -0.459576 | agm006101158 | Ca5NdGa6 | ['Ca', 'Nd', 'Ga'] | 71 | 0 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.01635974, -0.00320073, -1.40541825], [-3.76268834, 7.27102101, -3.79807713], [-0.19429594, -1.08364993, 8.95761729]], 'pbc': [True, True, True], 'a': 5.209517803328679, 'b': 9.025018557169975, 'c': 9.025018315615567, 'a... |
0.068821 | -0.288975 | agm005865511 | Pm3InNi | ['Pm', 'In', 'Ni'] | 12 | 0.0447 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.04773154, 4e-08, 1.40964614], [2.21592252, 5.8100992, 1.80752003], [0.08744353, -0.38585495, 9.42928096]], 'pbc': [True, True, True], 'a': 5.240867861330571, 'b': 6.475700270035279, 'c': 9.437577540661422, 'alpha': 75.7... |
0.084404 | -0.465524 | agm005934119 | Nd2InBi4 | ['Nd', 'Bi', 'In'] | 139 | 0 | 0 | 7 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.15937082, 0.01921949, -3.53689072], [-2.04760925, 5.8090892, -3.53689072], [-0.20815062, -0.29504801, 6.78276995]], 'pbc': [True, True, True], 'a': 7.1026624763031965, 'b': 7.102662665470206, 'c': 6.7923742685039326, 'a... |
0.04346 | -0.365788 | agm003577226 | Ac6MgPb3 | ['Ac', 'Mg', 'Pb'] | 63 | 0.0305 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[9.67164585, -0.0, 0.0], [0.0, 8.89629787, 1.11318368], [0.0, -0.90009652, 8.92037667]], 'pbc': [True, True, True], 'a': 9.67164585, 'b': 8.965673075524496, 'c': 8.965673074565924, 'alpha': 88.62955201624399, 'beta': 90.0,... |
0.014233 | -0.058656 | agm002060525 | CuTe | ['Te', 'Cu'] | 12 | 0.1343 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.18912154, -0.02333675, -0.00753679], [-1.06894742, 4.05046403, 0.00587338], [-0.90103669, -1.18559683, 5.60011984]], 'pbc': [True, True, True], 'a': 4.189193321392084, 'b': 4.189145729339232, 'c': 5.794725979922935, 'al... |
0.007326 | -3.187799 | agm004889895 | NdTmV2O8 | ['Nd', 'Tm', 'V', 'O'] | 119 | 3.01 | 3.01 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.06277283, -0.0005636, -0.0], [-2.68948464, 5.43358878, 0.0], [-1.68664409, -2.71651259, 5.15101987]], 'pbc': [True, True, True], 'a': 6.062772856196344, 'b': 6.062772852329025, 'c': 6.062772850692598, 'alpha': 106.15012... |
0.055744 | -0.176825 | agm002218971 | LiMgNiPb | ['Pb', 'Ni', 'Mg', 'Li'] | 216 | 0 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.56859421, 0.0, 0.0], [2.28429711, 3.95651865, -0.0], [2.28429711, 1.31883955, 3.73024155]], 'pbc': [True, True, True], 'a': 4.56859421, 'b': 4.568594216446912, 'c': 4.568594211214753, 'alpha': 59.99999994496443, 'beta':... |
0.053902 | -1.306489 | agm001108974 | Eu3ZnO | ['Eu', 'Zn', 'O'] | 221 | 0 | 0 | 5 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.01605452, 0.0, 0.0], [0.0, 5.01605452, 0.0], [0.0, 0.0, 5.01605452]], 'pbc': [True, True, True], 'a': 5.01605452, 'b': 5.01605452, 'c': 5.01605452, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 126.2079593522006... |
0.038105 | -0.130439 | agm001134355 | LaTm2Ag | ['Tm', 'Ag', 'La'] | 123 | 0.0217 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.61300336, 0.0, 0.0], [0.0, 3.61300336, 0.0], [0.0, 0.0, 8.71809484]], 'pbc': [True, True, True], 'a': 3.61300336, 'b': 3.61300336, 'c': 8.71809484, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 113.8042078313135... |
0.090855 | -1.425327 | agm004933328 | Cs2CaNdI6 | ['Cs', 'Ca', 'Nd', 'I'] | 225 | 0.0031 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[8.83705851, 0.0, 0.0], [0.0, 8.84780128, 0.0], [0.0, 0.0, 12.50872256]], 'pbc': [True, True, True], 'a': 8.83705851, 'b': 8.84780128, 'c': 12.50872256, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 978.03872416315... |
0.027251 | -0.655588 | agm002152149 | SrGe2Rh | ['Sr', 'Ge', 'Rh'] | 63 | 0 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.34839153, 0.0, 0.0], [0.0, 4.52961774, 0.00262321], [0.0, -2.25969279, 8.78031529]], 'pbc': [True, True, True], 'a': 4.34839153, 'b': 4.529618499581771, 'c': 9.066429732644806, 'alpha': 104.39920488319461, 'beta': 90.0,... |
0.03812 | -1.856806 | agm004678527 | Ba3U2AgS9 | ['Ba', 'U', 'Ag', 'S'] | 164 | 0.002 | 0 | 15 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.26016168, 0.0, 0.0], [-3.63008084, 6.28748445, 0.0], [0.0, 0.0, 8.9998573]], 'pbc': [True, True, True], 'a': 7.26016168, 'b': 7.260161679599629, 'c': 8.9998573, 'alpha': 90.0, 'beta': 90.0, 'gamma': 120.00000000182423, ... |
0.034426 | 0.006886 | agm005787265 | Tm4MgSc | ['Tm', 'Mg', 'Sc'] | 123 | 0 | 0 | 6 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.45167255, -0.00066036, 0.00015439], [0.00065991, 3.45167254, 0.00015439], [-0.00084963, -0.00084963, 14.12507878]], 'pbc': [True, True, True], 'a': 3.4516726166215568, 'b': 3.451672606535494, 'c': 14.125078831105636, 'a... |
0.039697 | -0.568341 | agm002186570 | SmSi2 | ['Si', 'Sm'] | 191 | 0 | 0 | 3 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.13234889, 0.0, 0.0], [0.0, 4.09389005, 0.0], [0.0, 2.04694502, 3.54541278]], 'pbc': [True, True, True], 'a': 4.13234889, 'b': 4.09389005, 'c': 4.093890044382009, 'alpha': 60.00000003540782, 'beta': 90.0, 'gamma': 90.0, ... |
0.047984 | 0.046758 | agm005637488 | Pr2Sm6Er | ['Pr', 'Sm', 'Er'] | 191 | 0 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.5117939, 0.49147151, 0.2481366], [-0.90855311, 8.77523281, -4.5221974], [2.88820444, -0.06791008, 10.15439998]], 'pbc': [True, True, True], 'a': 3.5546887927747557, 'b': 9.913649628061199, 'c': 10.55737541342664, 'alpha... |
0.005403 | -0.688998 | agm004512281 | Nd2MnGe3Ir4 | ['Nd', 'Mn', 'Ge', 'Ir'] | 115 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.19181819, 0.0, 0.0], [0.0, 4.19181819, 0.0], [0.0, 0.0, 10.55067912]], 'pbc': [True, True, True], 'a': 4.19181819, 'b': 4.19181819, 'c': 10.55067912, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 185.38956728429... |
0 | -0.746989 | agm005701221 | ThGe2Pd | ['Th', 'Ge', 'Pd'] | 71 | 0.0355 | 0 | 16 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.33165628, -0.0, -1.00640484], [-0.96789873, 7.6560304, -4.16592228], [-0.01213389, 0.29364206, 9.77289526]], 'pbc': [True, True, True], 'a': 4.447032362153312, 'b': 8.769637271875055, 'c': 9.777313263551395, 'alpha': 11... |
0.092092 | -2.773797 | agm004886388 | SmZr(GeO4)2 | ['Sm', 'Zr', 'Ge', 'O'] | 119 | 0 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.92049232, 0.11688078, -0.0], [-2.5211189, 5.35815733, 0.0], [-1.69968671, -2.73751905, 4.96819333]], 'pbc': [True, True, True], 'a': 5.921645922200381, 'b': 5.9216459266803465, 'c': 5.921645921998378, 'alpha': 107.22339... |
0.023329 | 0.020832 | agm005649833 | Pr5Dy5Tm2 | ['Pr', 'Dy', 'Tm'] | 12 | 0.0038 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.96921456, -1e-08, 1.12108204], [2.65732256, 10.46387243, -0.20502058], [0.82224196, -1.31220314, 7.92900535]], 'pbc': [True, True, True], 'a': 5.094106230117954, 'b': 10.797963829232927, 'c': 8.078804661689693, 'alpha':... |
0 | -0.235536 | agm003774341 | CuMoPt6 | ['Cu', 'Mo', 'Pt'] | 123 | 0 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.95541475, 0.0, 0.0], [0.0, 3.95541475, 0.0], [0.0, 0.0, 7.78519417]], 'pbc': [True, True, True], 'a': 3.95541475, 'b': 3.95541475, 'c': 7.78519417, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 121.8017438486050... |
0.026355 | -0.500631 | agm005732859 | Dy6Ni2Pt | ['Dy', 'Ni', 'Pt'] | 71 | 0.0142 | 0 | 18 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.75550304, 0.14188761, -2.72964726], [-4.06374158, 6.70147039, -2.48902055], [0.00825967, -0.14188661, 8.2218447]], 'pbc': [True, True, True], 'a': 8.223073249177965, 'b': 8.223072680901582, 'c': 8.223073044985306, 'alph... |
0.088891 | 0.032425 | agm003176437 | CoReNi2 | ['Re', 'Co', 'Ni'] | 139 | 0.0012 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.50224509, -0.00614534, -0.01837697], [1.74748204, 4.1492837, 0.01837697], [-3.11529236, -2.08600617, 2.4928133]], 'pbc': [True, True, True], 'a': 4.50228678880624, 'b': 4.5022867985319, 'c': 4.502286794309013, 'alpha': ... |
0.07039 | 0.068773 | agm004741409 | La2TbHo2Tm | ['La', 'Tb', 'Ho', 'Tm'] | 51 | 0.0016 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.68893254, 0.0, 0.0], [0.0, 7.06238145, 0.0], [0.0, 0.0, 9.84047968]], 'pbc': [True, True, True], 'a': 5.68893254, 'b': 7.06238145, 'c': 9.84047968, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 395.3650028462621... |
0.023804 | -0.644404 | agm004517218 | Pr2Ni4Sb3Pt | ['Pr', 'Ni', 'Sb', 'Pt'] | 115 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.34681231, 0.0, 0.0], [0.0, 4.34681231, 0.0], [0.0, 0.0, 10.28417532]], 'pbc': [True, True, True], 'a': 4.34681231, 'b': 4.34681231, 'c': 10.28417532, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 194.31720195740... |
0.019946 | -0.157804 | agm005657804 | Pm2YCd | ['Pm', 'Y', 'Cd'] | 139 | 0.0037 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.02060711, 0.01779087, -1.39577691], [-0.40046213, 5.00464264, -1.39577678], [-0.00241572, -0.00262572, 9.73525967]], 'pbc': [True, True, True], 'a': 5.21104648324375, 'b': 5.2110469860919, 'c': 9.735260323814517, 'alpha... |
0.045999 | -0.640676 | agm003715837 | SmSi3Pd | ['Sm', 'Si', 'Pd'] | 107 | 0 | 0 | 5 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.32155266, 0.0, 0.0], [0.0, 4.32155266, -0.0], [-2.16077633, -2.16077633, 4.77982682]], 'pbc': [True, True, True], 'a': 4.32155266, 'b': 4.32155266, 'c': 5.673151956872639, 'alpha': 112.3880519401065, 'beta': 112.3880519... |
0.093016 | -1.607275 | agm003469341 | TlAg2F5 | ['Tl', 'Ag', 'F'] | 8 | 0.3611 | 0.3611 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.38183653, -0.39951719, -0.42958179], [-0.33217396, 6.35945202, 0.53860491], [-3.50649853, -2.4567137, 4.94187974]], 'pbc': [True, True, True], 'a': 6.408743402184826, 'b': 6.390857906686728, 'c': 6.538589259869618, 'alp... |
0.021342 | -0.543876 | agm005722229 | Pm3Hg2Ir | ['Pm', 'Hg', 'Ir'] | 65 | 0.0232 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.1768095, 1e-08, 0.02123967], [2.58840526, 7.83409545, 0.01061983], [-0.03113699, -0.0, 7.58684045]], 'pbc': [True, True, True], 'a': 5.176853071400806, 'b': 8.250636708187775, 'c': 7.586904344059076, 'alpha': 90.0000221... |
0.018268 | 0.010832 | agm004660066 | Tb2Pr6Dy3Ho | ['Tb', 'Pr', 'Dy', 'Ho'] | 12 | 0.0058 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.31024259, -0.00099629, 0.00782011], [-3.15444838, 5.46521894, 0.00782011], [-1.06340745, -1.84127819, 11.7089608]], 'pbc': [True, True, True], 'a': 6.310247514271058, 'b': 6.310247522747405, 'c': 11.90045813377039, 'alp... |
0.074656 | -0.330789 | agm003532836 | V(InPd4)2 | ['V', 'In', 'Pd'] | 12 | 0.0019 | 0 | 11 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.08390554, -0.0, 0.0], [-0.0, 6.37751862, 0.28784822], [-2.04195277, -2.45453342, 6.66902084]], 'pbc': [True, True, True], 'a': 4.08390554, 'b': 6.384011305300444, 'c': 7.393926182290562, 'alpha': 106.91544947233952, 'be... |
0.094123 | 0.020661 | agm003356024 | Na2Mg3Tl8 | ['Na', 'Mg', 'Tl'] | 12 | 0.0239 | 0 | 13 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.15817179, -0.0, 0.63654635], [-0.0, 8.50901484, -0.0], [-1.57131592, -4.25450742, 7.04355586]], 'pbc': [True, True, True], 'a': 6.190983043980182, 'b': 8.50901484, 'c': 8.377442704084633, 'alpha': 120.52090888347544, 'b... |
0.006205 | -1.074413 | agm004603145 | Dy6Sn2BiTe3 | ['Dy', 'Sn', 'Bi', 'Te'] | 12 | 0 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.40625467, 0.0, -0.0], [0.0, 8.80742524, 0.33272806], [-2.20312734, -2.5205732, 9.25068007]], 'pbc': [True, True, True], 'a': 4.40625467, 'b': 8.81370792119301, 'c': 9.83779147422372, 'alpha': 102.7403077717695, 'beta': ... |
0.055381 | -0.222497 | agm003262054 | Sc5Tl3 | ['Sc', 'Tl'] | 65 | 0.0063 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.33747768, -0.4840053, 0.0], [-1.26873568, 6.22801688, 0.0], [0.0, 0.0, 4.87661859]], 'pbc': [True, True, True], 'a': 6.355933013722397, 'b': 6.3559330143787705, 'c': 4.87661859, 'alpha': 90.0, 'beta': 90.0, 'gamma': 105... |
0.048537 | -0.98244 | agm004719451 | Na4CdSb3S8 | ['Na', 'Cd', 'Sb', 'S'] | 166 | 0 | 0 | 16 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.86895114, 0.0, -0.0], [0.0, 8.14744546, 0.18776759], [-3.93447557, -3.92953597, 5.56784269]], 'pbc': [True, True, True], 'a': 7.86895114, 'b': 8.149608836719038, 'c': 7.869067490563104, 'alpha': 118.8769452070526, 'beta... |
0.015501 | -1.855538 | agm004963278 | PmTl2InCl6 | ['Pm', 'Tl', 'In', 'Cl'] | 146 | 3.6344 | 3.5801 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.89648024, 0.00338515, 0.00055228], [3.95114801, 6.83661048, 0.00023088], [3.94935146, 2.28034205, 6.68799119]], 'pbc': [True, True, True], 'a': 7.896480984904869, 'b': 7.896253130787942, 'c': 8.094847927979867, 'alpha':... |
0.0882 | -1.848993 | agm004948616 | PuTl2CdO6 | ['Pu', 'Tl', 'Cd', 'O'] | 148 | 0.016 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.1012918, 0.00021484, -3.228e-05], [3.05081436, 5.28424244, -0.00015177], [3.05082533, 1.76181073, 4.95250716]], 'pbc': [True, True, True], 'a': 6.101291803867888, 'b': 6.101695374804735, 'c': 6.077733081697814, 'alpha':... |
0.089538 | -0.288436 | agm001918648 | PuUZnRh | ['Rh', 'Zn', 'U', 'Pu'] | 216 | 0.0264 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.70703974, 0.0, 0.0], [2.35351987, 4.07641599, 0.0], [2.35351987, 1.35880533, 3.84328186]], 'pbc': [True, True, True], 'a': 4.70703974, 'b': 4.7070397387330924, 'c': 4.70703974475745, 'alpha': 60.00000003640182, 'beta': ... |
0.056662 | -0.374991 | agm004525462 | Ba2SrCd3Pb4 | ['Ba', 'Sr', 'Cd', 'Pb'] | 115 | 0.2518 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.09400437, 0.0, 0.0], [0.0, 5.09400437, 0.0], [0.0, 0.0, 13.34056331]], 'pbc': [True, True, True], 'a': 5.09400437, 'b': 5.09400437, 'c': 13.34056331, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 346.17268342175... |
0.025757 | -0.029738 | agm006042526 | Tb15Pr4In | ['Tb', 'Pr', 'In'] | 123 | 0.0001 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.0271599, 0.0, 0.0], [0.0, 5.0271599, 0.0], [0.0, -9.9e-07, 25.43533886]], 'pbc': [True, True, True], 'a': 5.0271599, 'b': 5.0271599, 'c': 25.43533886000002, 'alpha': 90.00000223007926, 'beta': 90.0, 'gamma': 90.0, 'volu... |
0.066323 | -0.738387 | agm005753583 | Sm2SbPd6 | ['Sm', 'Sb', 'Pd'] | 12 | 0 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.8574612, 0.0, 0.0], [-2.9287306, 4.83507928, 1.06300998], [0.0, 0.04117745, 6.25344839]], 'pbc': [True, True, True], 'a': 5.8574612, 'b': 5.75199485299155, 'c': 6.253583960320841, 'alpha': 79.02748092681227, 'beta': 90.... |
0.086097 | -0.287357 | agm004706875 | RbCu4(GeI4)3 | ['Rb', 'Cu', 'Ge', 'I'] | 155 | 0 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[9.81610121, -0.18193059, -0.25275127], [-2.54169494, 9.4830759, -0.25275127], [-2.54169494, -3.24984241, 8.91241471]], 'pbc': [True, True, True], 'a': 9.821039909756392, 'b': 9.821039909178102, 'c': 9.82103990526872, 'alp... |
0 | -0.680479 | agm005901536 | Pr2ErSi2 | ['Pr', 'Er', 'Si'] | 127 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.44105682, 0.0, 0.0], [0.0, 7.60977368, 0.0], [0.0, 0.0, 7.60977368]], 'pbc': [True, True, True], 'a': 4.44105682, 'b': 7.60977368, 'c': 7.60977368, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 257.1756292713082... |
0.042782 | 0.012193 | agm003469543 | Sm5Y2Mg | ['Sm', 'Y', 'Mg'] | 139 | 0 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.1406768, -0.00054962, -0.00046908], [-0.00038688, 7.14044204, -0.00033186], [-3.57037087, -3.57015192, 5.01695516]], 'pbc': [True, True, True], 'a': 7.140676836559432, 'b': 7.140442058192655, 'c': 7.11782073100151, 'alp... |
0.024586 | -1.770662 | agm004850542 | Sm4SiAsS2 | ['Sm', 'Si', 'As', 'S'] | 10 | 0 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.13277987, -2.05e-06, -1.25e-06], [4.342e-05, 7.12681101, -0.13278096], [3.894e-05, 2.51765494, 6.71001258]], 'pbc': [True, True, True], 'a': 4.1327798700006975, 'b': 7.128047836363125, 'c': 7.166788347801335, 'alpha': 7... |
0.042097 | -2.56104 | agm005023604 | CsTbZnO3 | ['Cs', 'Tb', 'Zn', 'O'] | 11 | 2.59 | 2.5698 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.60143307, 0.0, 0.0], [0.0, 8.23965762, -0.31622631], [0.0, -2.51110498, 8.14740864]], 'pbc': [True, True, True], 'a': 3.60143307, 'b': 8.245723544599361, 'c': 8.525603542725138, 'alpha': 109.32762260821482, 'beta': 90.0... |
0.011957 | -0.20689 | agm005724617 | ErSc2Co | ['Er', 'Sc', 'Co'] | 62 | 0.0131 | 0 | 16 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.93256662, 0.0, 0.0], [0.0, 6.61164566, 0.0], [0.0, 0.0, 8.8382737]], 'pbc': [True, True, True], 'a': 5.93256662, 'b': 6.61164566, 'c': 8.8382737, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 346.6726981365961},... |
0.085803 | -0.316412 | agm002249162 | ThAl5Fe | ['Fe', 'Th', 'Al'] | 123 | 0 | 0 | 7 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.29404901, 0.0, 0.0], [0.0, 4.29404901, 0.0], [0.0, 0.0, 7.10312734]], 'pbc': [True, True, True], 'a': 4.29404901, 'b': 4.29404901, 'c': 7.10312734, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 130.9735485667406... |
0.08175 | -0.67859 | agm004777621 | BaCu(BiSe2)2 | ['Ba', 'Cu', 'Bi', 'Se'] | 63 | 0 | 0 | 16 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.54713819, 0.0, 0.0], [-2.2735691, 6.81483294, 0.0], [0.0, 0.0, 14.61272808]], 'pbc': [True, True, True], 'a': 4.54713819, 'b': 7.184084106730923, 'c': 14.61272808, 'alpha': 90.0, 'beta': 90.0, 'gamma': 108.4497641685326... |
0.023939 | -1.278429 | agm002339781 | Tb4GeTe3 | ['Ge', 'Te', 'Tb'] | 139 | 0.0941 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.11689767, 3.08e-06, 0.00012471], [3.08e-06, 6.11690424, 9.298e-05], [3.05858248, 3.05855318, 6.15952107]], 'pbc': [True, True, True], 'a': 6.116897671272056, 'b': 6.116904240707447, 'c': 7.526577851429228, 'alpha': 66.0... |
0.029561 | -0.582662 | agm003455604 | Ac4HIr2 | ['Ac', 'H', 'Ir'] | 166 | 0 | 0 | 7 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.35493636, 0.0, -0.0], [2.17746818, 3.77148552, -0.0], [2.17746818, 1.25716184, 13.51408999]], 'pbc': [True, True, True], 'a': 4.35493636, 'b': 4.354936360325164, 'c': 13.745997665672832, 'alpha': 80.88553008578056, 'bet... |
0.049469 | -0.34411 | agm003342922 | Mg3(Zn2Rh)2 | ['Mg', 'Zn', 'Rh'] | 12 | 0.0791 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.91933393, 0.0, -0.0], [-1.95966697, 4.40739211, 1.0654423], [-0.0, 1.17731646, 8.28865787]], 'pbc': [True, True, True], 'a': 3.91933393, 'b': 4.939693020748205, 'c': 8.371853040569922, 'alpha': 70.18279402419637, 'beta'... |
0.045249 | -0.305527 | agm002263578 | U(Co3As2)2 | ['Co', 'As', 'U'] | 187 | 0 | 0 | 11 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.66663532, 0.0, 0.0], [0.0, 6.81995495, -1.404e-05], [0.0, -3.41009524, 5.90866321]], 'pbc': [True, True, True], 'a': 3.66663532, 'b': 6.819954950014451, 'c': 6.822100151352087, 'alpha': 119.99085856466233, 'beta': 90.0,... |
0.039582 | -0.228078 | agm003527531 | Tm8Zn2Ru | ['Tm', 'Zn', 'Ru'] | 12 | 0.0322 | 0 | 11 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.1050133, -0.0, 0.0], [-0.0, 6.69565781, 0.0479389], [-2.55250665, -2.81411784, 8.06127072]], 'pbc': [True, True, True], 'a': 5.1050133, 'b': 6.695829421867556, 'c': 8.911713361460286, 'alpha': 108.01663096415598, 'beta'... |
0.06362 | -1.283255 | agm005201643 | CePmIN | ['Ce', 'Pm', 'I', 'N'] | 160 | 0.0308 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.75191794, -0.0015263, -0.00027761], [-1.87645699, 3.25043569, 0.00018253], [-1.87553301, -1.08180402, 7.67933085]], 'pbc': [True, True, True], 'a': 3.751918260723819, 'b': 3.753188383689638, 'c': 7.978724604412007, 'alp... |
0.026245 | -1.405337 | agm004603041 | Pr6SnTe3P2 | ['Pr', 'Sn', 'Te', 'P'] | 12 | 0.0265 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.37860149, 0.0, -0.0], [0.0, 8.98978451, 0.2050232], [-2.18930074, -2.70861146, 9.35697535]], 'pbc': [True, True, True], 'a': 4.37860149, 'b': 8.992122110423889, 'c': 9.984117460843272, 'alpha': 104.46883534126819, 'beta... |
0.085926 | -0.515462 | agm005672234 | Nb2CoPt6 | ['Nb', 'Co', 'Pt'] | 12 | 0.0273 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.73401371, -0.0, -1.11662433], [-0.6092711, 5.92803456, -2.03741399], [-0.14345303, 0.10592145, 6.32191002]], 'pbc': [True, True, True], 'a': 3.897397629292643, 'b': 6.2979251174094895, 'c': 6.324424434394222, 'alpha': 1... |
0 | -0.333578 | agm006078687 | MgTa3Os4 | ['Mg', 'Os', 'Ta'] | 139 | 0 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.31722396, -0.0, -1.16536451], [-0.30951938, 4.31114069, -1.146651], [-0.41207524, -0.46992587, 7.05291893]], 'pbc': [True, True, True], 'a': 4.471744308652455, 'b': 4.471749636481258, 'c': 7.080558011899108, 'alpha': 10... |
0.073519 | -0.32648 | agm004527537 | NaSr2Sn4Hg3 | ['Na', 'Sr', 'Sn', 'Hg'] | 115 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.77037321, 0.0, 0.0], [0.0, 4.77037321, 0.0], [0.0, 0.0, 13.00032423]], 'pbc': [True, True, True], 'a': 4.77037321, 'b': 4.77037321, 'c': 13.00032423, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 295.84136564212... |
0.082639 | -2.02328 | agm002205055 | Rb2EuCl6 | ['Eu', 'Rb', 'Cl'] | 164 | 0.0119 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.02990572, -0.00030166, -0.00018026], [-0.00035242, 7.45082324, -5.504e-05], [-0.00035871, 3.72536414, 6.45246985]], 'pbc': [True, True, True], 'a': 6.029905730239997, 'b': 7.450823248537933, 'c': 7.450684885930274, 'alp... |
0.046324 | -3.872476 | agm004954578 | Nd2HoErO6 | ['Nd', 'Ho', 'Er', 'O'] | 146 | 4.3311 | 4.1742 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.933335, 0.00010748, 0.00029415], [2.96674568, 5.13837976, 8.13e-05], [2.96667311, 1.71301043, 5.0728757]], 'pbc': [True, True, True], 'a': 5.933335008264843, 'b': 5.933340247650223, 'c': 6.1212434964258975, 'alpha': 61.... |
0.030775 | -0.153849 | agm003374023 | Zn5Cu2Au5 | ['Zn', 'Cu', 'Au'] | 12 | 0 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.75737011, -0.0, 0.0], [-1.87868506, 8.05777533, -1.35218447], [0.0, -5.5288572, 7.12970808]], 'pbc': [True, True, True], 'a': 3.75737011, 'b': 8.383650974625136, 'c': 9.022250231733164, 'alpha': 135.7612068780477, 'beta... |
0.094443 | -0.200469 | agm001001042 | NbGeOs | ['Os', 'Nb', 'Ge'] | 12 | 0.4873 | 0 | 6 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.53428057, 0.0, 0.0], [-2.26714028, 3.73037329, 0.93137058], [0.0, 2.18847695, 6.85788023]], 'pbc': [True, True, True], 'a': 4.53428057, 'b': 4.463525634432208, 'c': 7.198607685497673, 'alpha': 63.07238835715468, 'beta':... |
0.020497 | -2.02927 | agm005159047 | Sr2LiUS5 | ['Sr', 'Li', 'U', 'S'] | 36 | 0.0306 | 0.0226 | 18 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.08880791, -0.0, 0.0], [-2.04440395, 8.53349042, 0.0], [0.0, 0.0, 12.75489225]], 'pbc': [True, True, True], 'a': 4.08880791, 'b': 8.774967023243299, 'c': 12.75489225, 'alpha': 90.0, 'beta': 90.0, 'gamma': 103.47266200714... |
0.079513 | 0.00684 | agm001213234 | HfMg2Pb | ['Pb', 'Mg', 'Hf'] | 123 | 0 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.53941009, 0.0, 0.0], [0.0, 4.4161481, 0.0], [0.0, 0.0, 4.4161481]], 'pbc': [True, True, True], 'a': 4.53941009, 'b': 4.4161481, 'c': 4.4161481, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 88.52922810717507}, '... |
0.060834 | -0.292786 | agm005631818 | Rb3Li2Au9 | ['Rb', 'Li', 'Au'] | 71 | 0.086 | 0 | 14 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.51801996, -1e-08, 1.15288097], [1.80967835, 8.85623697, 2.33732431], [0.02459964, -0.26077403, 9.33286393]], 'pbc': [True, True, True], 'a': 4.662793035289744, 'b': 9.336538648202046, 'c': 9.336538832613808, 'alpha': 77... |
0.06373 | -0.154053 | agm001147841 | Pm2GdTl | ['Tl', 'Gd', 'Pm'] | 123 | 0.0049 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.69691342, 0.0, 0.0], [0.0, 3.69691342, 0.0], [0.0, 0.0, 9.25631695]], 'pbc': [True, True, True], 'a': 3.69691342, 'b': 3.69691342, 'c': 9.25631695, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 126.507646545701}... |
0.016742 | 0.011891 | agm005816151 | Nd2Er2Tm | ['Nd', 'Er', 'Tm'] | 166 | 0 | 0 | 5 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.47285009, 3.2e-07, 0.91730239], [1.47549815, 2.93149654, 1.44650313], [-2.35473711, 2.06236138, 15.94757147]], 'pbc': [True, True, True], 'a': 3.5919537054801842, 'b': 3.586521721638556, 'c': 16.25186626543809, 'alpha':... |
0.01418 | -0.66456 | agm003646090 | TmMg4Au5 | ['Tm', 'Mg', 'Au'] | 123 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.39105851, 0.0, 0.0], [0.0, 3.39105851, 0.0], [0.0, 0.0, 16.48552969]], 'pbc': [True, True, True], 'a': 3.39105851, 'b': 3.39105851, 'c': 16.48552969, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 189.57168588621... |
0.039097 | -1.458885 | agm004621529 | SrCe2Pr3N6 | ['Sr', 'Ce', 'Pr', 'N'] | 12 | 0 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.66799834, 0.0, -0.0], [0.0, 7.33639319, 0.26597296], [-1.83399917, -2.10929535, 7.64417518]], 'pbc': [True, True, True], 'a': 3.66799834, 'b': 7.341212887100437, 'c': 8.139170351554288, 'alpha': 103.0003343086043, 'beta... |
0.044959 | -0.35852 | agm003359476 | Th3Al9Mo2 | ['Th', 'Al', 'Mo'] | 71 | 0 | 0 | 14 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.48272025, -0.0, -0.0], [2.24136013, 8.0895772, 0.23168543], [2.24136013, 2.05931087, 7.82650472]], 'pbc': [True, True, True], 'a': 4.48272025, 'b': 8.397537296468993, 'c': 8.39753729517387, 'alpha': 70.53763325792731, '... |
0 | -0.956287 | agm004514186 | Pa2Si4RuPt3 | ['Pa', 'Si', 'Ru', 'Pt'] | 115 | 0.0591 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.16610549, 0.0, 0.0], [0.0, 4.16610549, 0.0], [0.0, 0.0, 9.86945205]], 'pbc': [True, True, True], 'a': 4.16610549, 'b': 4.16610549, 'c': 9.86945205, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 171.2985025355533... |
0.028688 | -0.929181 | agm004841042 | Pr2ScPaSb4 | ['Pr', 'Sc', 'Pa', 'Sb'] | 10 | 0.0003 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.42194898, 0.0, 0.0], [0.0, 7.59111616, 0.11415579], [0.0, -2.67041981, 7.20981255]], 'pbc': [True, True, True], 'a': 4.42194898, 'b': 7.591974453263371, 'c': 7.688467920709427, 'alpha': 109.46241408549747, 'beta': 90.0,... |
0.094124 | -0.287905 | agm001218874 | TlInPd2 | ['Tl', 'Pd', 'In'] | 123 | 0 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.38036866, 0.0, 0.0], [0.0, 4.72086541, 0.0], [0.0, 0.0, 4.72086541]], 'pbc': [True, True, True], 'a': 3.38036866, 'b': 4.72086541, 'c': 4.72086541, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 75.33682350832756... |
0.091432 | -0.24038 | agm005097654 | AcMnCdH6 | ['Ac', 'Mn', 'Cd', 'H'] | 187 | 0.0189 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.80492492, -2.198e-05, 0.00073206], [2.40243252, 4.16108295, 0.00078223], [-0.00071211, -0.00046662, 4.64997385]], 'pbc': [True, True, True], 'a': 4.8049249758172055, 'b': 4.804819865699236, 'c': 4.649973927939672, 'alph... |
0.072999 | -0.578892 | agm005931075 | Pm5IrPd2 | ['Pm', 'Ir', 'Pd'] | 140 | 0.0001 | 0 | 16 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.62745331, 1e-08, -3.12850657], [-1.47682064, 6.46081519, -3.12850657], [0.3404555, 0.42705897, 9.3053019]], 'pbc': [True, True, True], 'a': 7.328757789336684, 'b': 7.3287574308744805, 'c': 9.321316042355893, 'alpha': 11... |
0.026251 | -1.375505 | agm006126665 | Er6BiAs5 | ['As', 'Bi', 'Er'] | 12 | 0.1842 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.08595249, 0.17750228, 1.07905653], [1.74435257, 6.02339156, 3.51137762], [0.12021791, 0.06861101, 7.17778502]], 'pbc': [True, True, True], 'a': 7.169839101742664, 'b': 7.187056738594855, 'c': 7.179119556736354, 'alpha':... |
0.092692 | -0.697983 | agm002291339 | TbPtN3 | ['Tb', 'Pt', 'N'] | 12 | 1.4842 | 1.2932 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.6576034, 0.0009847, 0.00013405], [-1.82443617, 5.98186368, -0.06760545], [0.00361299, -2.56848543, 7.6920512]], 'pbc': [True, True, True], 'a': 3.657603535006911, 'b': 6.2542650184795585, 'c': 8.109548823531458, 'alpha'... |
0.032717 | -0.801298 | agm002310974 | K(CuS)2 | ['K', 'S', 'Cu'] | 164 | 0 | 0 | 5 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.87536461, 0.0, 0.0], [1.9376823, 3.3561642, 0.0], [0.0, 0.0, 7.5546264]], 'pbc': [True, True, True], 'a': 3.87536461, 'b': 3.8753646064718774, 'c': 7.5546264, 'alpha': 90.0, 'beta': 90.0, 'gamma': 60.00000005524332, 'vo... |
0.064983 | -1.506256 | agm005200274 | AcNdTeP | ['Ac', 'Nd', 'Te', 'P'] | 160 | 0 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.33626714, -0.0005822, -0.00030014], [-2.16768395, 3.75617888, 0.0002031], [-2.16737167, -1.25151263, 7.77192671]], 'pbc': [True, True, True], 'a': 4.336267189471221, 'b': 4.336788388530764, 'c': 8.164963478459628, 'alph... |
0.098099 | -0.116208 | agm003719666 | NdEr3Ni | ['Nd', 'Er', 'Ni'] | 14 | 0.0181 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.22668151, 0.0, 0.0], [0.0, 7.95700258, -0.12636805], [0.0, -2.81027702, 9.46788735]], 'pbc': [True, True, True], 'a': 7.22668151, 'b': 7.958005965201802, 'c': 9.876160579973885, 'alpha': 107.44190438063117, 'beta': 90.0... |
0.068623 | -1.483195 | agm005041623 | CsZrRuS3 | ['Cs', 'Zr', 'Ru', 'S'] | 11 | 0 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.74061862, 0.0, 0.0], [0.0, 9.17839041, 0.10168387], [0.0, -4.28580979, 8.85379074]], 'pbc': [True, True, True], 'a': 3.74061862, 'b': 9.178953651032245, 'c': 9.836553056013555, 'alpha': 115.195265188902, 'beta': 90.0, '... |
0.098147 | -0.729248 | agm004534128 | Pr2ErGa4Pd3 | ['Pr', 'Er', 'Ga', 'Pd'] | 115 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.25977883, 0.0, 0.0], [0.0, 4.25977883, 0.0], [0.0, 0.0, 11.7061203]], 'pbc': [True, True, True], 'a': 4.25977883, 'b': 4.25977883, 'c': 11.7061203, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 212.4159306857186... |
0.051104 | -0.883784 | agm003623741 | Pr2SiPt | ['Pr', 'Si', 'Pt'] | 11 | 0.0041 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.30488088, 0.0, 0.0], [0.0, 5.87284674, -0.13077243], [0.0, -3.10177909, 8.03536284]], 'pbc': [True, True, True], 'a': 4.30488088, 'b': 5.874302533916408, 'c': 8.613250808702489, 'alpha': 112.38300045251717, 'beta': 90.0... |
0.067031 | -2.550566 | agm005884412 | Ce2SmCl8 | ['Ce', 'Sm', 'Cl'] | 12 | 0.0021 | 0 | 11 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.90220723, 1e-08, -1e-08], [-2.45110411, 7.726785, -1.40986359], [-1.02e-06, 0.03926809, 8.64152271]], 'pbc': [True, True, True], 'a': 4.90220723, 'b': 8.22793006391593, 'c': 8.641611928936582, 'alpha': 99.61819418227118... |
0.09821 | -0.194929 | agm001240758 | SrEuRh | ['Eu', 'Sr', 'Rh'] | 216 | 0 | 0 | 3 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.09058422, 0.0, 0.0], [2.54529211, 4.40857525, 0.0], [2.54529211, 1.46952508, 4.15644461]], 'pbc': [True, True, True], 'a': 5.09058422, 'b': 5.0905842159953325, 'c': 5.090584218139929, 'alpha': 60.000000034104744, 'beta'... |
0.014728 | -0.985979 | agm005656473 | Pr2PuSb3 | ['Pr', 'Pu', 'Sb'] | 12 | 0.0029 | 0 | 12 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[7.71345273, -0.02545726, -1.289425], [-4.15735018, 6.49726347, -1.28944689], [-0.0150863, -0.02743645, 7.81298022]], 'pbc': [True, True, True], 'a': 7.820525424845581, 'b': 7.820528524330893, 'c': 7.813042958626782, 'alph... |
0.043907 | -0.226303 | agm001392475 | AcPrMgTl | ['Pr', 'Ac', 'Mg', 'Tl'] | 216 | 0 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[5.69460506, 0.0, 0.0], [2.84730253, 4.93167265, 0.0], [2.84730253, 1.64389088, 4.64962556]], 'pbc': [True, True, True], 'a': 5.69460506, 'b': 5.694605063048923, 'c': 5.694605058377348, 'alpha': 60.00000001820844, 'beta': ... |
0.021339 | -0.377964 | agm002183014 | AuS | ['S', 'Au'] | 12 | 1.1238 | 0.2913 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.56682439, -0.00109112, 0.00047026], [-1.78537167, 6.33649345, -0.10930888], [0.00170199, -1.92100405, 8.52691384]], 'pbc': [True, True, True], 'a': 3.566824587891335, 'b': 6.584121025101099, 'c': 8.740624639673639, 'alp... |
0.064725 | -0.12084 | agm002992689 | Mg2Ga2Cu | ['Mg', 'Cu', 'Ga'] | 127 | 0 | 0 | 10 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.5016833, 0.0, 0.0], [0.0, 6.5016833, 0.0], [0.0, 0.0, 4.2669132]], 'pbc': [True, True, True], 'a': 6.5016833, 'b': 6.5016833, 'c': 4.2669132, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 180.3704672251581}, 'si... |
0.045329 | 0.045329 | agm005604520 | Tl3(Ga2Sn)2 | ['Tl', 'Ga', 'Sn'] | 12 | 0 | 0 | 9 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.37839235, 0.0, 0.0], [-2.18919617, 5.52365632, -1.70136444], [0.0, 1.30691683, 9.59885707]], 'pbc': [True, True, True], 'a': 4.37839235, 'b': 6.180453055392875, 'c': 9.687419091317679, 'alpha': 98.7540337664733, 'beta':... |
0 | -0.682653 | agm002384714 | DyZnRh2 | ['Zn', 'Rh', 'Dy'] | 123 | 0 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.57027847, 0.0, 0.0], [0.0, 4.31624431, 0.0], [0.0, 0.0, 4.31624431]], 'pbc': [True, True, True], 'a': 3.57027847, 'b': 4.31624431, 'c': 4.31624431, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 66.51416273501619... |
0.070592 | -1.825282 | agm004823558 | Sr2NdScSe4 | ['Sr', 'Nd', 'Sc', 'Se'] | 10 | 0.02 | 0 | 8 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.20520161, 0.0, 0.0], [0.0, 7.27632488, 0.12325017], [0.0, -2.54723981, 7.00199756]], 'pbc': [True, True, True], 'a': 4.20520161, 'b': 7.277368642834581, 'c': 7.450932859709233, 'alpha': 109.02034592958195, 'beta': 90.0,... |
0 | -0.64961 | agm006097702 | Pu(Ge2Rh3)2 | ['Pu', 'Ge', 'Rh'] | 187 | 0 | 0 | 11 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[3.84641549, 0.0, 0.0], [0.0, 6.26641425, -3.61791656], [0.0, 9.9e-07, 7.2358351]], 'pbc': [True, True, True], 'a': 3.84641549, 'b': 7.235832211136829, 'c': 7.235835100000068, 'alpha': 119.99999631585615, 'beta': 90.0, 'ga... |
0.068065 | -0.508511 | agm003712318 | AcSn3Ir | ['Ac', 'Sn', 'Ir'] | 62 | 0.0308 | 0 | 20 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.60719799, 0.0, 0.0], [-0.0, 9.41076352, 0.0], [0.0, 0.0, 11.88913141]], 'pbc': [True, True, True], 'a': 4.60719799, 'b': 9.41076352, 'c': 11.88913141, 'alpha': 90.0, 'beta': 90.0, 'gamma': 90.0, 'volume': 515.4800520249... |
0.065882 | -0.011361 | agm003166452 | AgTe2Au | ['Te', 'Au', 'Ag'] | 123 | 0.0035 | 0 | 4 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[4.10661196, 0.0, 0.0], [0.0, 7.13725167, -0.0528941], [0.0, 4.74219735, 3.34534175]], 'pbc': [True, True, True], 'a': 4.10661196, 'b': 7.137447666129161, 'c': 5.803425465243788, 'alpha': 35.62533278234547, 'beta': 90.0, '... |
0.073908 | -1.898033 | agm004676345 | Tl3CdAg2F9 | ['Tl', 'Cd', 'Ag', 'F'] | 164 | 0 | 0 | 15 | {'@module': 'pymatgen.core.structure', '@class': 'Structure', 'charge': 0, 'lattice': {'matrix': [[6.29779877, -0.0, 0.0], [-3.14889939, 5.45405372, 0.0], [0.0, 0.0, 7.71691348]], 'pbc': [True, True, True], 'a': 6.29779877, 'b': 6.29779877012502, 'c': 7.71691348, 'alpha': 90.0, 'beta': 90.0, 'gamma': 120.0000000518692,... |
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