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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203946

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-1203946
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 208
  • Number of elements: 4
  • Element list: ['Zn', 'P', 'H', 'O']
  • Chemical System: H-O-P-Zn
  • Density: 2.5756203362895658
  • Atomic Density: 0.1021380250852567
  • Unit Cell Volume: 2036.4599748857308
  • Molar Volume: 5.89608106772497
  • Full Formula: Zn16 P16 H80 O96
  • Reduced Formula: ZnPH5O6
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -1215.28431797
  • Final energy per atom: -5.842713067163462
  • 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.