Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1177612

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-1177612
  • 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: 26
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'P', 'C', 'O']
  • Chemical System: C-Li-Mn-O-P
  • Density: 2.542479510374994
  • Atomic Density: 0.08626335962048139
  • Unit Cell Volume: 301.40258986420065
  • Molar Volume: 6.981110852272176
  • Full Formula: Li6 Mn2 P2 C2 O14
  • Reduced Formula: Li3MnPCO7
  • Formula Anonymous: ABCD3E7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -190.42435928
  • Final energy per atom: -7.324013818461538
  • 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.