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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201505

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-1201505
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 3
  • Element list: ['Re', 'Se', 'O']
  • Chemical System: O-Re-Se
  • Density: 5.823483932447615
  • Atomic Density: 0.038017768121253764
  • Unit Cell Volume: 2104.2792345107746
  • Molar Volume: 15.840332185711167
  • Full Formula: Re24 Se32 O24
  • Reduced Formula: Re3Se4O3
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -604.10190996
  • Final energy per atom: -7.5512738745
  • 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.