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  1. Third-Parties
  2. MatprojStructure
  3. mp-21695

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-21695
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 3
  • Element list: ['Ce', 'Ni', 'B']
  • Chemical System: B-Ce-Ni
  • Density: 7.79904716366781
  • Atomic Density: 0.09813807202228175
  • Unit Cell Volume: 387.2095631894245
  • Molar Volume: 6.136396034591654
  • Full Formula: Ce2 Ni24 B12
  • Reduced Formula: Ce(Ni2B)6
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -245.60711085
  • Final energy per atom: -6.463345022368421
  • 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.