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  1. Third-Parties
  2. MatprojStructure
  3. mp-759864

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-759864
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['Li', 'V', 'Cr', 'P', 'H', 'O']
  • Chemical System: Cr-H-Li-O-P-V
  • Density: 3.1092689830222042
  • Atomic Density: 0.09535093261236528
  • Unit Cell Volume: 356.57752964223045
  • Molar Volume: 6.315764927525247
  • Full Formula: Li2 V2 Cr2 P4 H4 O20
  • Reduced Formula: LiVCrP2(HO5)2
  • Formula Anonymous: ABCD2E2F10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -257.15903305
  • Final energy per atom: -7.563500972058824
  • 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.