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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194964

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-1194964
  • 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: 38
  • Number of elements: 4
  • Element list: ['Er', 'H', 'I', 'O']
  • Chemical System: Er-H-I-O
  • Density: 4.87689786130135
  • Atomic Density: 0.07665107215370692
  • Unit Cell Volume: 495.75301339294157
  • Molar Volume: 7.856564286438052
  • Full Formula: Er2 H8 I6 O22
  • Reduced Formula: ErH4I3O11
  • Formula Anonymous: AB3C4D11
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -208.02351707
  • Final energy per atom: -5.474303080789474
  • 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.