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  1. Third-Parties
  2. MatprojStructure
  3. mp-738635

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-738635
  • 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: 104
  • Number of elements: 6
  • Element list: ['Na', 'Zn', 'P', 'H', 'Cl', 'O']
  • Chemical System: Cl-H-Na-O-P-Zn
  • Density: 2.730015078167605
  • Atomic Density: 0.07152770630778779
  • Unit Cell Volume: 1453.982035331625
  • Molar Volume: 8.419311999306094
  • Full Formula: Na8 Zn8 P16 H8 Cl8 O56
  • Reduced Formula: NaZnP2HClO7
  • Formula Anonymous: ABCDE2F7
  • Spacegroup Number: 92
  • Spacegroup Symbol: P4_12_12
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -633.14230113
  • Final energy per atom: -6.087906741634615
  • 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.