Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-778016

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-778016
  • 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: 80
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'V', 'P', 'O']
  • Chemical System: Li-Mn-O-P-V
  • Density: 3.173709087256097
  • Atomic Density: 0.09286564935396023
  • Unit Cell Volume: 861.4595445844305
  • Molar Volume: 6.4847882956661715
  • Full Formula: Li12 Mn4 V4 P12 O48
  • Reduced Formula: Li3MnV(PO4)3
  • Formula Anonymous: ABC3D3E12
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -604.88820403
  • Final energy per atom: -7.561102550375
  • 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.