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  1. Third-Parties
  2. MatprojStructure
  3. mp-557537

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-557537
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Zn', 'P', 'N', 'O']
  • Chemical System: N-O-P-Zn
  • Density: 3.948380371792607
  • Atomic Density: 0.08659328717868464
  • Unit Cell Volume: 265.60950333874797
  • Molar Volume: 6.954512244781
  • Full Formula: Zn4 P6 N12 O1
  • Reduced Formula: Zn4P6N12O
  • Formula Anonymous: AB4C6D12
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -159.81425715
  • Final energy per atom: -6.948445963043478
  • 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.