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  1. Third-Parties
  2. MatprojStructure
  3. mp-754908

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-754908
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Nb', 'Cr', 'O']
  • Chemical System: Cr-Nb-O
  • Density: 4.561149282898313
  • Atomic Density: 0.07889288415345465
  • Unit Cell Volume: 76.052486410934
  • Molar Volume: 7.633312971910528
  • Full Formula: Nb1 Cr1 O4
  • Reduced Formula: NbCrO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -55.83361168
  • Final energy per atom: -9.305601946666666
  • 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.