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  1. Third-Parties
  2. MatprojStructure
  3. mp-695960

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-695960
  • 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: 64
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'H', 'O']
  • Chemical System: H-Na-O-Zn
  • Density: 2.8542518943485105
  • Atomic Density: 0.09862923179230149
  • Unit Cell Volume: 648.8948442260454
  • Molar Volume: 6.1058376411992485
  • Full Formula: Na8 Zn8 H24 O24
  • Reduced Formula: NaZn(HO)3
  • Formula Anonymous: ABC3D3
  • Spacegroup Number: 106
  • Spacegroup Symbol: P4_2bc
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -318.57279978
  • Final energy per atom: -4.9776999965625
  • 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.