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  1. Third-Parties
  2. MatprojStructure
  3. mp-625238

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-625238
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 3
  • Element list: ['Re', 'H', 'O']
  • Chemical System: H-O-Re
  • Density: 4.459147637436403
  • Atomic Density: 0.07739680705646128
  • Unit Cell Volume: 387.61288922571293
  • Molar Volume: 7.780864597691768
  • Full Formula: Re4 H8 O18
  • Reduced Formula: Re2H4O9
  • Formula Anonymous: A2B4C9
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -217.24258411
  • Final energy per atom: -7.241419470333333
  • 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.