Detail information of Ti2P4H9C2NO16

Structure

Basic information

Pretty formulaTi2P4H9C2NO16
Full formulaTi8P16H36C8N4O64
TagsDititanium tris(hydrogenphosphate(V)) phosphate(V) - piperazine (1/0.5)
Constituent elementsC; H; N; O; P; Ti;
Number of elements6
Number of sites136
Volume1,424.87444 Å3
Density2.43669 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.914 Å b6.453 Å c20.871 Å
α90.000° β104.228° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-925.09635 eV -6.80218 eV -2.07542 eV 2.54040 eV 0.00710 eV 0.03426 eV