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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216002

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-1216002
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Y', 'Th', 'B', 'Ru']
  • Chemical System: B-Ru-Th-Y
  • Density: 9.938152765253784
  • Atomic Density: 0.07399357155548923
  • Unit Cell Volume: 162.17625055442775
  • Molar Volume: 8.138735073064934
  • Full Formula: Y1 Th1 B4 Ru6
  • Reduced Formula: YTh(B2Ru3)2
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -102.10439082
  • Final energy per atom: -8.508699235
  • 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.