Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-543040

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-543040
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['Ga', 'Te', 'H', 'O']
  • Chemical System: Ga-H-O-Te
  • Density: 4.498488347201121
  • Atomic Density: 0.0865047787098167
  • Unit Cell Volume: 531.7625301870155
  • Molar Volume: 6.961627842782515
  • Full Formula: Ga4 Te6 H12 O24
  • Reduced Formula: Ga2Te3(HO2)6
  • Formula Anonymous: A2B3C6D12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -261.7099958
  • Final energy per atom: -5.689347734782609
  • 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.