Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-773105

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-773105
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 5
  • Element list: ['Li', 'Zr', 'Fe', 'P', 'O']
  • Chemical System: Fe-Li-O-P-Zr
  • Density: 2.9992635355239035
  • Atomic Density: 0.06841841954606913
  • Unit Cell Volume: 1023.1162962316885
  • Molar Volume: 8.80192907108155
  • Full Formula: Li2 Zr7 Fe1 P12 O48
  • Reduced Formula: Li2Zr7Fe(PO4)12
  • Formula Anonymous: AB2C7D12E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -584.8384829299999
  • Final energy per atom: -8.35483547042857
  • 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.