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  1. Third-Parties
  2. MatprojStructure
  3. mp-652791

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-652791
  • 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: 100
  • Number of elements: 5
  • Element list: ['Re', 'Sn', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-O-Re-Sn
  • Density: 2.179519262721222
  • Atomic Density: 0.03896475665239277
  • Unit Cell Volume: 2566.421776789389
  • Molar Volume: 15.455353189355
  • Full Formula: Re8 Sn4 C40 Cl8 O40
  • Reduced Formula: Re2SnC10(ClO5)2
  • Formula Anonymous: AB2C2D10E10
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -744.74971554
  • Final energy per atom: -7.4474971554
  • 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.