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  1. Third-Parties
  2. MatprojStructure
  3. mp-699265

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-699265
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 78
  • Number of elements: 6
  • Element list: ['B', 'H', 'Ru', 'C', 'O', 'F']
  • Chemical System: B-C-F-H-O-Ru
  • Density: 2.312938137616921
  • Atomic Density: 0.0703554114817381
  • Unit Cell Volume: 1108.6567238718542
  • Molar Volume: 8.559598520098408
  • Full Formula: B2 H12 Ru6 C12 O38 F8
  • Reduced Formula: BH6Ru3C6O19F4
  • Formula Anonymous: AB3C4D6E6F19
  • Spacegroup Number: 31
  • Spacegroup Symbol: Pmn2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -509.6761347900001
  • Final energy per atom: -6.534309420384616
  • 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.