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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229290

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-1229290
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 144
  • Number of elements: 5
  • Element list: ['Cs', 'Sc', 'H', 'Se', 'O']
  • Chemical System: Cs-H-O-Sc-Se
  • Density: 3.1811956230252854
  • Atomic Density: 0.06460228736402264
  • Unit Cell Volume: 2229.023241678504
  • Molar Volume: 9.321869249096839
  • Full Formula: Cs4 Sc12 H24 Se24 O80
  • Reduced Formula: CsSc3H6(Se3O10)2
  • Formula Anonymous: AB3C6D6E20
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -914.46966917
  • Final energy per atom: -6.3504838136805555
  • 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.