Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-756197

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-756197
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 5
  • Element list: ['Li', 'Fe', 'P', 'C', 'O']
  • Chemical System: C-Fe-Li-O-P
  • Density: 2.651039677008469
  • Atomic Density: 0.08298654369172218
  • Unit Cell Volume: 277.1533670017664
  • Molar Volume: 7.256767774750332
  • Full Formula: Li3 Fe2 P2 C2 O14
  • Reduced Formula: Li3Fe2P2(CO7)2
  • Formula Anonymous: A2B2C2D3E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -171.31222126
  • Final energy per atom: -7.448357446086956
  • 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.