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  1. Third-Parties
  2. MatprojStructure
  3. mp-581991

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-581991
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 2
  • Element list: ['Nb', 'P']
  • Chemical System: Nb-P
  • Density: 6.587352387002701
  • Atomic Density: 0.05489727353616756
  • Unit Cell Volume: 983.6554080308485
  • Molar Volume: 10.969835789809267
  • Full Formula: Nb36 P18
  • Reduced Formula: Nb2P
  • Formula Anonymous: AB2
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -456.14188186
  • Final energy per atom: -8.447071886296296
  • 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.