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  1. Third-Parties
  2. MatprojStructure
  3. mp-1235672

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-1235672
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 6
  • Element list: ['Ba', 'Li', 'V', 'Ni', 'H', 'O']
  • Chemical System: Ba-H-Li-Ni-O-V
  • Density: 4.378636485703541
  • Atomic Density: 0.08575339139023358
  • Unit Cell Volume: 221.56558116212187
  • Molar Volume: 7.02262693331317
  • Full Formula: Ba1 Li1 V2 Ni3 H2 O10
  • Reduced Formula: BaLiV2Ni3(HO5)2
  • Formula Anonymous: ABC2D2E3F10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -130.69771939
  • Final energy per atom: -6.87882733631579
  • 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.