Detail information of P2H24PdC12(BrN3)2

Structure

Basic information

Pretty formulaP2H24PdC12(BrN3)2
Full formulaP4H48Pd2C24Br4N12
TagsTrans-dibromobis(1,3,5-triaza-7-phosphaadamantane)palladium
Constituent elementsBr; C; H; N; P; Pd;
Number of elements6
Number of sites94
Volume939.90837 Å3
Density2.05127 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a7.435 Å b12.022 Å c10.556 Å
α90.000° β94.993° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-531.26745 eV -5.65178 eV -0.21748 eV 1.71820 eV 0.00193 eV 0.21130 eV