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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247535

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-1247535
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Zn', 'N']
  • Chemical System: Ca-N-Zn
  • Density: 3.0771521036601754
  • Atomic Density: 0.05758097428663464
  • Unit Cell Volume: 347.3369502301437
  • Molar Volume: 10.458560027175198
  • Full Formula: Ca10 Zn2 N8
  • Reduced Formula: Ca5ZnN4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -103.55750687
  • Final energy per atom: -5.1778753435
  • 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.