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  1. Third-Parties
  2. MatprojStructure
  3. mp-6757

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-6757
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 64
  • Number of elements: 4
  • Element list: ['Ho', 'Si', 'S', 'O']
  • Chemical System: Ho-O-S-Si
  • Density: 6.5817277260555365
  • Atomic Density: 0.06862775294879078
  • Unit Cell Volume: 932.5673251717282
  • Molar Volume: 8.77508078181381
  • Full Formula: Ho16 Si8 S12 O28
  • Reduced Formula: Ho4Si2S3O7
  • Formula Anonymous: A2B3C4D7
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -513.5976165000001
  • Final energy per atom: -8.024962757812501
  • 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.