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  1. Third-Parties
  2. MatprojStructure
  3. mp-680308

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-680308
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 3
  • Element list: ['Re', 'Se', 'Cl']
  • Chemical System: Cl-Re-Se
  • Density: 3.59796569823066
  • Atomic Density: 0.033345507238145375
  • Unit Cell Volume: 1319.5180893714667
  • Molar Volume: 18.059826521730074
  • Full Formula: Re4 Se16 Cl24
  • Reduced Formula: Re(Se2Cl3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 56
  • Spacegroup Symbol: Pccn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -181.70601905
  • Final energy per atom: -4.129682251136364
  • 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.