Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-765415

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-765415
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 86
  • Number of elements: 4
  • Element list: ['Li', 'V', 'P', 'O']
  • Chemical System: Li-O-P-V
  • Density: 2.4717170246056526
  • Atomic Density: 0.07228841179345828
  • Unit Cell Volume: 1189.6789245518123
  • Molar Volume: 8.330713887042364
  • Full Formula: Li6 V6 P16 O58
  • Reduced Formula: Li3V3P8O29
  • Formula Anonymous: A3B3C8D29
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -656.3034157200001
  • Final energy per atom: -7.631435066511629
  • 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.