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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191084

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-1191084
  • 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: 24
  • Number of elements: 6
  • Element list: ['Na', 'Mn', 'P', 'H', 'O', 'F']
  • Chemical System: F-H-Mn-Na-O-P
  • Density: 2.742764322297403
  • Atomic Density: 0.07715633401796786
  • Unit Cell Volume: 311.05676942104293
  • Molar Volume: 7.805115207518268
  • Full Formula: Na4 Mn2 P2 H2 O6 F8
  • Reduced Formula: Na2MnPHO3F4
  • Formula Anonymous: ABCD2E3F4
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -149.40847355
  • Final energy per atom: -6.2253530645833335
  • 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.