Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-116639
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 14
- Number of elements: 3
- Element list: ['Ti', 'Fe', 'O']
- Chemical System: Fe-O-Ti
- Density: 5.081827442135228
- Atomic Density: 0.09582641613995645
- Unit Cell Volume: 146.09750175309398
- Molar Volume: 6.284426573153419
- Full Formula: Ti2 Fe4 O8
- Reduced Formula: Ti(FeO2)2
- Formula Anonymous: AB2C4
- Spacegroup Number: 36
- Spacegroup Symbol: Cmc2_1
- Crystal System: orthorhombic
- Pointgroup: mm2
