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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200731

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-1200731
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ho', 'H', 'C', 'O', 'F']
  • Chemical System: C-F-H-Ho-O
  • Density: 2.6024396102347693
  • Atomic Density: 0.09111543477699363
  • Unit Cell Volume: 439.00355738740194
  • Molar Volume: 6.609353041819181
  • Full Formula: Ho2 H16 C4 O16 F2
  • Reduced Formula: HoH8C2O8F
  • Formula Anonymous: ABC2D8E8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -253.77533574
  • Final energy per atom: -6.3443833935
  • 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.