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  1. Third-Parties
  2. MatprojStructure
  3. mp-22064

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-22064
  • 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: 9
  • Number of elements: 2
  • Element list: ['Cr', 'As']
  • Chemical System: As-Cr
  • Density: 6.876388791768678
  • Atomic Density: 0.06943664698669626
  • Unit Cell Volume: 129.61455356167124
  • Molar Volume: 8.672856512143818
  • Full Formula: Cr6 As3
  • Reduced Formula: Cr2As
  • Formula Anonymous: AB2
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -71.12084329
  • Final energy per atom: -7.902315921111111
  • 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.