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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195656

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-1195656
  • 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: 36
  • Number of elements: 5
  • Element list: ['Ba', 'Mn', 'P', 'O', 'F']
  • Chemical System: Ba-F-Mn-O-P
  • Density: 4.362517837777032
  • Atomic Density: 0.07270022209412136
  • Unit Cell Volume: 495.1841818776371
  • Molar Volume: 8.283524570534922
  • Full Formula: Ba4 Mn4 P4 O16 F8
  • Reduced Formula: BaMnP(O2F)2
  • Formula Anonymous: ABCD2E4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -269.79636272
  • Final energy per atom: -7.494343408888889
  • 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.