Detail information of CrP2H13(NO5)2

Structure

Basic information

Pretty formulaCrP2H13(NO5)2
Full formulaCr2P4H26N4O20
TagsTrans-diammine-cis-diaquachromium hydrogendiphosphate(V) hydrate
Constituent elementsCr; H; N; O; P;
Number of elements5
Number of sites56
Volume536.46437 Å3
Density1.95040 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a7.166 Å b8.505 Å c9.706 Å
α72.970° β99.048° γ77.453°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-327.24482 eV -5.84366 eV -1.60116 eV 3.60960 eV 6.00000 eV 0.02507 eV