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  1. Third-Parties
  2. MatprojStructure
  3. mp-735051

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-735051
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 62
  • Number of elements: 4
  • Element list: ['Gd', 'H', 'I', 'O']
  • Chemical System: Gd-H-I-O
  • Density: 2.6914717172449403
  • Atomic Density: 0.071769804346737
  • Unit Cell Volume: 863.8730530804187
  • Molar Volume: 8.39091149100199
  • Full Formula: Gd2 H36 I6 O18
  • Reduced Formula: GdH18(IO3)3
  • Formula Anonymous: AB3C9D18
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -331.98804677
  • Final energy per atom: -5.354645915645161
  • 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.