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  1. Third-Parties
  2. MatprojStructure
  3. mp-759342

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-759342
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 3
  • Element list: ['Nb', 'As', 'O']
  • Chemical System: As-Nb-O
  • Density: 4.3871959829483735
  • Atomic Density: 0.07053133161302974
  • Unit Cell Volume: 992.4667293119476
  • Molar Volume: 8.538249062190523
  • Full Formula: Nb18 As2 O50
  • Reduced Formula: Nb9AsO25
  • Formula Anonymous: AB9C25
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -641.97388026
  • Final energy per atom: -9.171055432285714
  • 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.