Table 1 Lattice parameters and compressibility of ThC at ambient and high pressure obtained from experiments and calculations.
From: Structural Phase Transition of ThC Under High Pressure
Space group | Dimension & Compressibility | Present work (300 K) | Other works | |
|---|---|---|---|---|
Experimental | Theoretical | |||
B1 | a (Å) | 5.3397 | 5.32182 5.32083 | 5.34804 5.3525 |
V0 (Å3/f. unit) | 38.06 | 37.682 37.663 | 38.244 38.325 39.108 38.069 38.0810 37.9611 38.7512 | |
B0 (GPa) | 147 | 109#,2,3 | 1374 1328,9 13410 13511 12112 | |
B0′ | 4.6 | 3.12 | 3.094 2.954 2.889 3.0011 3.3112 | |
P 4/nmm | a (Å) | 4.205* | — | 4.5095 4.134* |
c (Å) | 3.099* | — | 3.6835 3.060* | |
V0 (Å3/f. unit) | 33.2 | — | 37.455 | |
B0 (GPa) | 220.1 | — | 229.65 | |
B0′ | 3 | — | — | |
