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  1. Third-Parties
  2. MatprojStructure
  3. mp-1202564

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-1202564
  • 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: 46
  • Number of elements: 5
  • Element list: ['Ca', 'Re', 'H', 'S', 'O']
  • Chemical System: Ca-H-O-Re-S
  • Density: 4.35404048726628
  • Atomic Density: 0.07248261529161569
  • Unit Cell Volume: 634.6349371491425
  • Molar Volume: 8.308393310273672
  • Full Formula: Ca2 Re6 H18 S8 O12
  • Reduced Formula: CaRe3H9(S2O3)2
  • Formula Anonymous: AB3C4D6E9
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -292.90732145000004
  • Final energy per atom: -6.3675504663043485
  • 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.