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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200644

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-1200644
  • 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: 86
  • Number of elements: 6
  • Element list: ['Ca', 'H', 'W', 'C', 'S', 'O']
  • Chemical System: C-Ca-H-O-S-W
  • Density: 2.784906574738521
  • Atomic Density: 0.07528102188285321
  • Unit Cell Volume: 1142.3861930809983
  • Molar Volume: 7.999547043039896
  • Full Formula: Ca1 H36 W6 C12 S6 O25
  • Reduced Formula: CaH36W6C12S6O25
  • Formula Anonymous: AB6C6D12E25F36
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -541.81610082
  • Final energy per atom: -6.300187218837209
  • 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.