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  1. Third-Parties
  2. MatprojStructure
  3. mp-760186

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-760186
  • 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: 51
  • Number of elements: 6
  • Element list: ['Li', 'V', 'Cr', 'P', 'H', 'O']
  • Chemical System: Cr-H-Li-O-P-V
  • Density: 3.1209702912673003
  • Atomic Density: 0.09570977279635934
  • Unit Cell Volume: 532.8609452298268
  • Molar Volume: 6.2920855248640555
  • Full Formula: Li3 V3 Cr3 P6 H6 O30
  • Reduced Formula: LiVCrP2(HO5)2
  • Formula Anonymous: ABCD2E2F10
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -385.68476876
  • Final energy per atom: -7.562446446274509
  • 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.