Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-756057

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-756057
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 6
  • Element list: ['Li', 'V', 'Fe', 'P', 'O', 'F']
  • Chemical System: F-Fe-Li-O-P-V
  • Density: 3.171988641909832
  • Atomic Density: 0.08767284941949426
  • Unit Cell Volume: 364.99327000183854
  • Molar Volume: 6.868877651261742
  • Full Formula: Li4 V2 Fe2 P4 O16 F4
  • Reduced Formula: Li2VFeP2(O4F)2
  • Formula Anonymous: ABC2D2E2F8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -237.46884779
  • Final energy per atom: -7.4209014934375
  • 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.