Structure

Basic information

Pretty formulaPr16Si16N27Cl3O14
Full formulaPr16Si16N27Cl3O14
Tags
Constituent elementsCl; N; O; Pr; Si;
Number of elements5
Number of sites76
Volume1,276.15946 Å3
Density4.44024 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a12.240 Å b9.972 Å c11.310 Å
α100.408° β103.164° γ102.061°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-555.95192 eV -7.31516 eV -1.51247 eV 0.12830 eV 0.00000 eV 0.73442 eV