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  1. Third-Parties
  2. MatprojStructure
  3. mp-14763

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-14763
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'N']
  • Chemical System: Ca-Mn-N
  • Density: 3.322379435869939
  • Atomic Density: 0.06448431014619202
  • Unit Cell Volume: 217.10707563220691
  • Molar Volume: 9.338924067493686
  • Full Formula: Ca6 Mn2 N6
  • Reduced Formula: Ca3MnN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -94.74010103
  • Final energy per atom: -6.767150073571429
  • 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.