Li-Excess Cation-Disordered Rocksalt (DRX) Cathodes Database

CathodesLattice constant a (Å)Lattice constant b (Å)Lattice constant c (Å)Normalized mixing temperatureBand gap (eV)Barrier (eV)
Li1.2Mo0.4Ag0.4O210.08010.5728.4470.8010.0000.357
Li1.2Mo0.4Co0.4O29.4269.6088.5990.2030.6330.570
Li1.2Mo0.4Cr0.4O29.4879.5858.5150.3140.4070.554
Li1.2Mo0.4Cu0.4O210.1889.4678.3250.7440.0000.424
Li1.2Mo0.4Fe0.4O29.5209.6638.5230.0830.6060.524
Li1.2Mo0.4Ga0.4O29.6669.5678.4790.4241.3450.545
Li1.2Mo0.4Mg0.4O29.6899.6638.4160.3280.0000.619
Li1.2Mo0.4Mn0.4O29.6979.7868.4160.2860.1630.767
Li1.2Mo0.4Ni0.4O29.6969.6478.2800.7200.0000.750
Li1.2Mo0.4Rh0.4O29.7289.5838.5370.6740.0000.615
Li1.2Mo0.4Ru0.4O29.5369.5808.5730.5740.0000.638
Li1.2Mo0.4Sb0.4O210.00210.2178.7640.4111.0800.553
Li1.2Mo0.4Sc0.4O29.8879.5728.6560.0000.8720.812
Li1.2Mo0.4Sn0.4O29.9399.8598.8170.2180.7810.410
Li1.2Mo0.4V0.4O29.6259.6778.5000.0200.8800.579
Li1.2Mo0.4Y0.4O210.01610.0868.8420.0440.9520.453
Li1.2Mo0.4Zn0.4O29.7939.8068.5490.2071.1600.648
Li1.2Nb0.4Ag0.4O210.69510.2638.0900.5230.0000.418
Li1.2Nb0.4Co0.4O29.8139.4608.4810.5810.0000.678
Li1.2Nb0.4Cr0.4O29.6359.6258.4360.5510.0000.723
Li1.2Nb0.4Cu0.4O29.98910.2068.1190.8280.0000.678
Li1.2Nb0.4Fe0.4O29.6239.6878.4180.4410.5030.603
Li1.2Nb0.4Ga0.4O29.7059.7118.3760.4270.0000.602
Li1.2Nb0.4Mg0.4O29.7389.8458.3490.5610.0000.719
Li1.2Nb0.4Mn0.4O29.8829.5528.5210.6170.1660.750
Li1.2Nb0.4Ni0.4O29.6069.5948.6260.6671.1440.622
Li1.2Nb0.4Rh0.4O29.6359.3088.9960.8640.0000.585
Li1.2Nb0.4Ru0.4O29.5639.4828.5240.8080.0000.612
Li1.2Nb0.4Sb0.4O210.54910.3298.4590.8330.0000.850
Li1.2Nb0.4Sc0.4O29.9199.7608.4750.4830.7010.812
Li1.2Nb0.4Sn0.4O29.68810.1798.9091.0000.3920.410
Li1.2Nb0.4V0.4O29.5259.4838.6010.3050.0000.603
Li1.2Nb0.4Y0.4O210.00910.2398.7390.3500.1380.698
Li1.2Nb0.4Zn0.4O29.4759.8698.8080.4300.7830.555
Li1.2Ti0.4Ag0.4O210.0799.5018.6220.3240.0000.838
Li1.2Ti0.4Co0.4O29.4279.4168.2490.4920.0000.759
Li1.2Ti0.4Cr0.4O29.4219.5228.2380.5010.6370.557
Li1.2Ti0.4Cu0.4O29.2699.6668.3220.4340.0000.570
Li1.2Ti0.4Fe0.4O29.5099.5638.1840.3830.0000.637
Li1.2Ti0.4Ga0.4O29.5379.5138.2040.3790.5460.629
Li1.2Ti0.4Mg0.4O29.3909.4028.3590.2050.0000.781
Li1.2Ti0.4Mn0.4O29.6089.3968.2720.2770.5630.640
Li1.2Ti0.4Ni0.4O29.4219.2708.2170.3160.0000.890
Li1.2Ti0.4Rh0.4O29.5449.4638.3040.2400.0000.657
Li1.2Ti0.4Ru0.4O29.4039.5348.2950.4380.0000.744
Li1.2Ti0.4Sb0.4O210.0119.9588.8770.5470.1580.868
Li1.2Ti0.4Sc0.4O29.6869.6068.4010.2620.7080.451
Li1.2Ti0.4Sn0.4O210.0129.7048.7290.5290.0000.868
Li1.2Ti0.4V0.4O29.4159.3598.3300.3260.0000.683
Li1.2Ti0.4Y0.4O210.14010.0428.5960.2631.5350.709
Li1.2Ti0.4Zn0.4O29.3729.3638.5310.2570.0000.712
Li1.2Zr0.4Ag0.4O29.92610.2418.5530.1310.0000.974
Li1.2Zr0.4Co0.4O29.7199.4718.6160.2650.3640.497
Li1.2Zr0.4Cr0.4O29.8649.6748.4730.3671.6740.465
Li1.2Zr0.4Cu0.4O29.7739.8918.3730.3380.0000.597
Li1.2Zr0.4Fe0.4O29.5909.7748.6220.0990.0000.805
Li1.2Zr0.4Ga0.4O29.5239.8728.6310.3652.0330.462
Li1.2Zr0.4Mg0.4O29.6839.6208.7340.0610.0000.731
Li1.2Zr0.4Mn0.4O29.8289.8098.5160.1560.0000.684
Li1.2Zr0.4Ni0.4O29.6869.6498.4390.2760.0000.826
Li1.2Zr0.4Rh0.4O29.6269.8228.5360.1300.0000.897
Li1.2Zr0.4Ru0.4O29.7819.7308.3890.1910.0000.593
Li1.2Zr0.4Sb0.4O210.34710.5878.7640.3981.8470.769
Li1.2Zr0.4Sc0.4O29.8629.8318.6990.0781.9730.863
Li1.2Zr0.4Sn0.4O210.06110.1548.9420.3871.3210.549
Li1.2Zr0.4V0.4O29.6889.7268.5090.0700.4860.794
Li1.2Zr0.4Y0.4O210.15910.1168.8930.0982.5470.553
Li1.2Zr0.4Zn0.4O29.54110.0278.5510.1160.0000.653