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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226081

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-1226081
  • 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: 20
  • Number of elements: 4
  • Element list: ['Cr', 'As', 'C', 'N']
  • Chemical System: As-C-Cr-N
  • Density: 7.086498607079096
  • Atomic Density: 0.0876591123354942
  • Unit Cell Volume: 228.15654262451122
  • Molar Volume: 6.8699540749987325
  • Full Formula: Cr12 As4 C3 N1
  • Reduced Formula: Cr12As4C3N
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -173.21222931999998
  • Final energy per atom: -8.660611465999999
  • 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.