Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-775157

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-775157
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 80
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'V', 'P', 'O']
  • Chemical System: Li-Mn-O-P-V
  • Density: 3.29139887590701
  • Atomic Density: 0.09677919421117741
  • Unit Cell Volume: 826.6239521010652
  • Molar Volume: 6.222557243925141
  • Full Formula: Li12 Mn2 V6 P12 O48
  • Reduced Formula: Li6MnV3(PO4)6
  • Formula Anonymous: AB3C6D6E24
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -608.9703890799999
  • Final energy per atom: -7.612129863499999
  • 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.