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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-4888
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 14
Number of elements: 3
Element list: ['Nb', 'P', 'O']
Chemical System: Nb-O-P
Density: 3.7881158168908327
Atomic Density: 0.07832558625266466
Unit Cell Volume: 178.74108155205434
Molar Volume: 7.688599662150789
Full Formula: Nb2 P2 O10
Reduced Formula: NbPO5
Formula Anonymous: ABC5
Spacegroup Number: 129
Spacegroup Symbol: P4/nmm1
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -121.21106128000002
Final energy per atom: -8.65793294857143
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.