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  1. Third-Parties
  2. MatprojStructure
  3. mp-683987

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-683987
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 3
  • Element list: ['Ce', 'B', 'N']
  • Chemical System: B-Ce-N
  • Density: 6.557117043571238
  • Atomic Density: 0.07466993728249621
  • Unit Cell Volume: 1285.657970178902
  • Molar Volume: 8.065013818367948
  • Full Formula: Ce30 B16 N50
  • Reduced Formula: Ce15B8N25
  • Formula Anonymous: A8B15C25
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -808.6696099600001
  • Final energy per atom: -8.423641770416667
  • 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.