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  1. Third-Parties
  2. MatprojStructure
  3. mp-727270

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-727270
  • 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: 84
  • Number of elements: 4
  • Element list: ['Zn', 'As', 'N', 'O']
  • Chemical System: As-N-O-Zn
  • Density: 3.3975928814287593
  • Atomic Density: 0.0606545195132613
  • Unit Cell Volume: 1384.8926786343518
  • Molar Volume: 9.928593628844656
  • Full Formula: Zn16 As12 N4 O52
  • Reduced Formula: Zn4As3NO13
  • Formula Anonymous: AB3C4D13
  • Spacegroup Number: 199
  • Spacegroup Symbol: I2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -454.61750216
  • Final energy per atom: -5.412113120952381
  • 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.