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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180189

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-1180189
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['Na', 'Al', 'Cr', 'O']
  • Chemical System: Al-Cr-Na-O
  • Density: 2.8459157631254968
  • Atomic Density: 0.07935996174549984
  • Unit Cell Volume: 252.01625051355464
  • Molar Volume: 7.588386672000242
  • Full Formula: Na1 Al3 Cr2 O14
  • Reduced Formula: NaAl3Cr2O14
  • Formula Anonymous: AB2C3D14
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -138.2290415
  • Final energy per atom: -6.911452075
  • 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.