Table 2 Summary of ten newly discovered phase transformations where the high-pressure phase is dynamically stable at both the transformation pressure and zero pressure
Formula | Transformation pressure (GPa) | Space group | Bulk modulus (GPa) | Volume (Å3/atom) |
|---|---|---|---|---|
Mo5As4 | 32.1 | I4/m | 145 | 16.96 |
I4/m | 218 | 15.89* | ||
CaZn | 1.4 | Cmcm | 11 | 26.19 |
\({\rm{Pm}}\bar{3}{\rm{m}}\) | 37 | 24.29* | ||
P4Ru | 2.3 | \({\rm{P}}\bar{1}\) | 231 | 15.56 |
P21/c | 234 | 15.45* | ||
LaAu | 3.8 | Cmcm | 77 | 27.65 |
Pnma | 76 | 27.54 | ||
HfAl3 | 46.9 | I4/mmm | 117 | 16.83 |
\({\rm{Pm}}\bar{3}{\rm{m}}\) | 114 | 16.72 | ||
MgS2 | 3.3 | \({\rm{R}}\bar{3}{\rm{m}}\) | 46 | 20.49 |
Cmc21 | 24* | 20.49 | ||
GaPd | 121.9 | P213 | 162 | 14.74 |
\({\rm{Pm}}\bar{3}{\rm{m}}\) | 171 | 15.19 | ||
PtPb | 39.0 | P63/mmc | 123 | 22.40 |
P63/mmc | 78* | 23.48 | ||
Ni3Sn | 432.9 | P63/mmc | 186 | 12.54 |
Pmmn | 192 | 12.54 | ||
ZrPd3 | 396.5 | P63/mmc | 209 | 16.04 |
\({\rm{Pm}}\bar{3}{\rm{m}}\) | 196 | 16.00 |