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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246870

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-1246870
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Cu', 'N']
  • Chemical System: Ca-Cu-N
  • Density: 2.793415646810206
  • Atomic Density: 0.052575931427312636
  • Unit Cell Volume: 380.40220034238354
  • Molar Volume: 11.454177979377768
  • Full Formula: Ca10 Cu2 N8
  • Reduced Formula: Ca5CuN4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -107.6296307
  • Final energy per atom: -5.381481535000001
  • 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.