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  1. Third-Parties
  2. MatprojStructure
  3. mp-699457

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-699457
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 136
  • Number of elements: 5
  • Element list: ['Na', 'Zn', 'Ge', 'H', 'O']
  • Chemical System: Ge-H-Na-O-Zn
  • Density: 3.350975916699305
  • Atomic Density: 0.0882595318193694
  • Unit Cell Volume: 1540.9100546594277
  • Molar Volume: 6.823218564454682
  • Full Formula: Na16 Zn8 Ge16 H32 O64
  • Reduced Formula: Na2ZnGe2(HO2)4
  • Formula Anonymous: AB2C2D4E8
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -775.02692957
  • Final energy per atom: -5.698727423308823
  • 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.