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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105935

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-1105935
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Si', 'Ru']
  • Chemical System: Ru-Si
  • Density: 9.227285871427737
  • Atomic Density: 0.07539674595812661
  • Unit Cell Volume: 212.21074990273434
  • Molar Volume: 7.98726879187139
  • Full Formula: Si6 Ru10
  • Reduced Formula: Si3Ru5
  • Formula Anonymous: A3B5
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -132.13183767
  • Final energy per atom: -8.258239854375
  • 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.