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  1. Third-Parties
  2. MatprojStructure
  3. mp-776325

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-776325
  • 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: 46
  • Number of elements: 4
  • Element list: ['Sc', 'H', 'Se', 'O']
  • Chemical System: H-O-Sc-Se
  • Density: 2.9531420148910423
  • Atomic Density: 0.07793679559190812
  • Unit Cell Volume: 590.2218541401771
  • Molar Volume: 7.726954533174642
  • Full Formula: Sc4 H12 Se6 O24
  • Reduced Formula: Sc2H6(SeO4)3
  • Formula Anonymous: A2B3C6D12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -291.271515
  • Final energy per atom: -6.33198945652174
  • 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.