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  1. Third-Parties
  2. MatprojStructure
  3. mp-24507

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-24507
  • Created at: Sept. 4, 2022, 2:47 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', 'P', 'H', 'O']
  • Chemical System: H-Na-O-P-Zn
  • Density: 2.8931391519944913
  • Atomic Density: 0.08619613789571835
  • Unit Cell Volume: 1763.4200755478435
  • Molar Volume: 6.986555206551939
  • Full Formula: Na24 Zn12 P16 H24 O76
  • Reduced Formula: Na6Zn3P4H6O19
  • Formula Anonymous: A3B4C6D6E19
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -926.05355328
  • Final energy per atom: -6.092457587368421
  • 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.