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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196723

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-1196723
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 100
  • Number of elements: 4
  • Element list: ['Ba', 'P', 'H', 'O']
  • Chemical System: Ba-H-O-P
  • Density: 2.792011902323952
  • Atomic Density: 0.06861815899115987
  • Unit Cell Volume: 1457.3401774431616
  • Molar Volume: 8.776307683766097
  • Full Formula: Ba8 P16 H24 O52
  • Reduced Formula: Ba2P4H6O13
  • Formula Anonymous: A2B4C6D13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -631.9022495400001
  • Final energy per atom: -6.3190224954000005
  • 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.