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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199484

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-1199484
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 6
  • Element list: ['Li', 'Cu', 'B', 'P', 'H', 'O']
  • Chemical System: B-Cu-H-Li-O-P
  • Density: 3.178992918984519
  • Atomic Density: 0.09343732626248644
  • Unit Cell Volume: 770.5699946693234
  • Molar Volume: 6.445112462959882
  • Full Formula: Li4 Cu8 B4 P8 H8 O40
  • Reduced Formula: LiCu2BP2(HO5)2
  • Formula Anonymous: ABC2D2E2F10
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -487.02238212
  • Final energy per atom: -6.764199751666666
  • 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.