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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245405

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-1245405
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Ca', 'Mn', 'N']
  • Chemical System: Ca-Mn-N
  • Density: 3.2285560243185505
  • Atomic Density: 0.06146795829667933
  • Unit Cell Volume: 244.0295792419437
  • Molar Volume: 9.797203171990397
  • Full Formula: Ca7 Mn2 N6
  • Reduced Formula: Ca7(MnN3)2
  • Formula Anonymous: A2B6C7
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -93.87730348
  • Final energy per atom: -6.258486898666666
  • 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.