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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215061

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-1215061
  • 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: 88
  • Number of elements: 9
  • Element list: ['Ba', 'Na', 'Ti', 'Mn', 'Re', 'Si', 'H', 'O', 'F']
  • Chemical System: Ba-F-H-Mn-Na-O-Re-Si-Ti
  • Density: 4.357013130121373
  • Atomic Density: 0.07793252926967291
  • Unit Cell Volume: 1129.1818811050034
  • Molar Volume: 7.727377535972631
  • Full Formula: Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2
  • Reduced Formula: Ba2NaTi2MnRe2Si8HO26F
  • Formula Anonymous: ABCDE2F2G2H8I26
  • Spacegroup Number: 40
  • Spacegroup Symbol: Ama2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -711.0358577100001
  • Final energy per atom: -8.079952928522728
  • 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.