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  1. Third-Parties
  2. MatprojStructure
  3. mp-721075

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-721075
  • 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: 58
  • Number of elements: 4
  • Element list: ['Ga', 'P', 'H', 'O']
  • Chemical System: Ga-H-O-P
  • Density: 2.4933626893316956
  • Atomic Density: 0.09645566795860515
  • Unit Cell Volume: 601.3125120328983
  • Molar Volume: 6.243428600364324
  • Full Formula: Ga4 P6 H22 O26
  • Reduced Formula: Ga2P3H11O13
  • Formula Anonymous: A2B3C11D13
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -347.50804816000004
  • Final energy per atom: -5.991518071724139
  • 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.