Detail information of NaCa4Si8H16O28F

Structure

Basic information

Pretty formulaNaCa4Si8H16O28F
Full formulaNa2Ca8Si16H32O56F2
TagsSodium tetracalcium phyllo-octasilicate fluoride octahydrate;
Apophyllite-(NaF)
Constituent elementsCa; F; H; Na; O; Si;
Number of elements6
Number of sites116
Volume1,284.48583 Å3
Density2.30395 g/cm3
Source Materials Project

Space group

Spacegroup Number58
Hermann MauguinPnnm
Hall-P 2 2n
Crystal SystemOrthorhombic

Lattice Parameters

a8.950 Å b8.954 Å c16.028 Å
α90.000° β90.000° γ90.000°

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
-743.31912 eV -6.40792 eV -2.53728 eV 4.86880 eV 0.00000 eV 0.01852 eV