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  1. Third-Parties
  2. MatprojStructure
  3. mp-542557

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-542557
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 5
  • Element list: ['Cs', 'Sc', 'As', 'H', 'O']
  • Chemical System: As-Cs-H-O-Sc
  • Density: 3.706515742342162
  • Atomic Density: 0.06827300698287482
  • Unit Cell Volume: 820.2363199565341
  • Molar Volume: 8.82067602721901
  • Full Formula: Cs4 Sc4 As8 H8 O32
  • Reduced Formula: CsScAs2(HO4)2
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -371.96350491
  • Final energy per atom: -6.642205444821428
  • 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.