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  1. Third-Parties
  2. MatprojStructure
  3. mp-753163

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-753163
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ho', 'I', 'O']
  • Chemical System: Ho-I-O
  • Density: 7.015782539309912
  • Atomic Density: 0.04117479284014089
  • Unit Cell Volume: 145.72022313007633
  • Molar Volume: 14.625794921132123
  • Full Formula: Ho2 I2 O2
  • Reduced Formula: HoIO
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -40.2743249
  • Final energy per atom: -6.712387483333334
  • 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.