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  1. Third-Parties
  2. MatprojStructure
  3. mp-27721

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-27721
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['As', 'H']
  • Chemical System: As-H
  • Density: 2.4767532610347036
  • Atomic Density: 0.07654256925368771
  • Unit Cell Volume: 209.03400755951424
  • Molar Volume: 7.867701357189368
  • Full Formula: As4 H12
  • Reduced Formula: AsH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 208
  • Spacegroup Symbol: P4_232
  • Crystal System: cubic
  • Pointgroup: 432

Thermodynamics:

  • Final energy: -47.71843697999999
  • Final energy per atom: -2.9824023112499995
  • 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.