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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247296

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-1247296
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ca', 'C', 'N']
  • Chemical System: C-Ca-N
  • Density: 3.422376379260611
  • Atomic Density: 0.1404059956653987
  • Unit Cell Volume: 256.3993070907851
  • Molar Volume: 4.289090883519928
  • Full Formula: Ca2 C14 N20
  • Reduced Formula: CaC7N10
  • Formula Anonymous: AB7C10
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -296.1839479
  • Final energy per atom: -8.227331886111111
  • 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.