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  1. Third-Parties
  2. MatprojStructure
  3. mp-772852

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-772852
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 6
  • Element list: ['Na', 'Zn', 'P', 'H', 'N', 'O']
  • Chemical System: H-N-Na-O-P-Zn
  • Density: 3.151144646458369
  • Atomic Density: 0.08335319417830815
  • Unit Cell Volume: 1535.634012131364
  • Molar Volume: 7.224847013202048
  • Full Formula: Na12 Zn16 P16 H16 N4 O64
  • Reduced Formula: Na3Zn4P4H4NO16
  • Formula Anonymous: AB3C4D4E4F16
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -806.8544067700001
  • Final energy per atom: -6.303550052890626
  • 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.