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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208148

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-1208148
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Th', 'Ge', 'I']
  • Chemical System: Ge-I-Th
  • Density: 5.085670717137099
  • Atomic Density: 0.022982072779326297
  • Unit Cell Volume: 696.1948190501305
  • Molar Volume: 26.203644979391346
  • Full Formula: Th2 Ge2 I12
  • Reduced Formula: ThGeI6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -60.406393300000005
  • Final energy per atom: -3.7753995812500003
  • 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.