Detail information of CaTi2(HO3)2

Structure

Basic information

Pretty formulaCaTi2(HO3)2
Full formulaCa8Ti16H16O48
TagsCalcium dititanate hydrate;
Cafetite
Constituent elementsCa; H; O; Ti;
Number of elements4
Number of sites88
Volume963.11493 Å3
Density3.22516 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a4.975 Å b12.200 Å c16.061 Å
α89.989° β98.868° γ89.990°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-659.20692 eV -7.49099 eV -2.97518 eV 3.07060 eV 0.00474 eV 0.00000 eV