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  1. Third-Parties
  2. MatprojStructure
  3. mp-758053

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-758053
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nb', 'Cr', 'O']
  • Chemical System: Cr-Nb-O
  • Density: 5.056098509574874
  • Atomic Density: 0.08745387823195223
  • Unit Cell Volume: 137.21518407877386
  • Molar Volume: 6.886076274430726
  • Full Formula: Nb2 Cr2 O8
  • Reduced Formula: NbCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -112.08763742
  • Final energy per atom: -9.340636451666667
  • 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.