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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219275

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-1219275
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['Re', 'Os', 'Se', 'Cl']
  • Chemical System: Cl-Os-Re-Se
  • Density: 7.048233483612396
  • Atomic Density: 0.04023731948524265
  • Unit Cell Volume: 894.69180503446
  • Molar Volume: 14.966555518711099
  • Full Formula: Re8 Os4 Se16 Cl8
  • Reduced Formula: Re2Os(Se2Cl)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -245.31154524
  • Final energy per atom: -6.81420959
  • 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.