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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222448

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-1222448
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 4
  • Element list: ['Lu', 'Si', 'B', 'C']
  • Chemical System: B-C-Lu-Si
  • Density: 3.4369841351260617
  • Atomic Density: 0.0989634439834262
  • Unit Cell Volume: 485.0275825893726
  • Molar Volume: 6.085217447574432
  • Full Formula: Lu2 Si9 B36 C1
  • Reduced Formula: Lu2Si9B36C
  • Formula Anonymous: AB2C9D36
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -317.02892585
  • Final energy per atom: -6.604769288541667
  • 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.