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  1. Third-Parties
  2. MatprojStructure
  3. mp-505698

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-505698
  • 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: 62
  • Number of elements: 4
  • Element list: ['Sm', 'H', 'I', 'O']
  • Chemical System: H-I-O-Sm
  • Density: 2.73749044809718
  • Atomic Density: 0.07372245807089427
  • Unit Cell Volume: 840.9920344812498
  • Molar Volume: 8.168665176911064
  • Full Formula: Sm2 H36 I6 O18
  • Reduced Formula: SmH18(IO3)3
  • Formula Anonymous: AB3C9D18
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -313.59969242
  • Final energy per atom: -5.05805955516129
  • 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.