Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-85695
- Created at: Sept. 4, 2022, 2:36 p.m.
- Last updated at: Sept. 4, 2022, 2:36 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 8
- Number of elements: 3
- Element list: ['Ti', 'Fe', 'H']
- Chemical System: Fe-H-Ti
- Density: 5.889267404628508
- Atomic Density: 0.1341784108267717
- Unit Cell Volume: 59.62211022403773
- Molar Volume: 4.488159252217379
- Full Formula: Ti2 Fe2 H4
- Reduced Formula: TiFeH2
- Formula Anonymous: ABC2
- Spacegroup Number: 65
- Spacegroup Symbol: Cmmm
- Crystal System: orthorhombic
- Pointgroup: mmm