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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203034

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-1203034
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Mg', 'H', 'I', 'O']
  • Chemical System: H-I-Mg-O
  • Density: 2.0032936329633997
  • Atomic Density: 0.07714429839435707
  • Unit Cell Volume: 699.986922221461
  • Molar Volume: 7.806332918105205
  • Full Formula: Mg2 H32 I4 O16
  • Reduced Formula: MgH16(IO4)2
  • Formula Anonymous: AB2C8D16
  • Spacegroup Number: 64
  • Spacegroup Symbol: Cmce
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -267.70878457
  • Final energy per atom: -4.957570084629629
  • 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.