Structures
|
a(Å)
|
c(Å)
|
Ti(1)-B/
Zr(1)-B
|
Ti(2)-B/
Zr(2)-B
|
Ti(2)-Al/
Zr(2)-Al
|
Ti(1)-Ti(2)/
Ti(1)-Zr(2)/
Ti(2)-Zr(1)
|
△E(eV/ f.u.)
|
Ref
|
Ti3AlC2
|
3.075 |
18.578 |
|
|
|
|
|
[27] |
Ti3AlC2
|
3.072 |
18.732 |
2.207 |
2.089 |
2.878 |
2.997 |
|
[32] |
Tl3Al1.1C1.8
|
3.065 |
18.487 |
|
|
|
|
|
[33] |
Ti3AlB2
|
3.138 |
19.549 |
2.264 |
2.193 |
2.924 |
3.163 |
-2.051 |
|
Ti2ZrAlB2-1 |
3.265 |
19.739 |
2.431 |
2.210 |
2.932 |
3.283 |
-1.880 |
|
Ti2ZrAlB2-2 |
3.229 |
19.973 |
2.289 |
2.360 |
3.071 |
3.344 |
-1.955 |
|