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  1. Third-Parties
  2. MatprojStructure
  3. mp-758925

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-758925
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 152
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'As', 'H', 'O']
  • Chemical System: As-H-Na-O-Zn
  • Density: 3.309594052396794
  • Atomic Density: 0.0802395795158835
  • Unit Cell Volume: 1894.3269757528012
  • Molar Volume: 7.5051997983213665
  • Full Formula: Na24 Zn12 As16 H24 O76
  • Reduced Formula: Na6Zn3As4H6O19
  • Formula Anonymous: A3B4C6D6E19
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -852.84690199
  • Final energy per atom: -5.610834881513158
  • 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.