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  1. Third-Parties
  2. MatprojStructure
  3. mp-973330

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-973330
  • 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: 32
  • Number of elements: 5
  • Element list: ['Sb', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-O-P-Sb
  • Density: 2.9477680219252527
  • Atomic Density: 0.08484749179164917
  • Unit Cell Volume: 377.1472712308214
  • Molar Volume: 7.097606108130952
  • Full Formula: Sb2 P2 H8 O8 F12
  • Reduced Formula: SbPH4(O2F3)2
  • Formula Anonymous: ABC4D4E6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -178.49226396999998
  • Final energy per atom: -5.577883249062499
  • 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.