Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-780864

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-780864
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-Li-Mn-O-P
  • Density: 2.7858494615262184
  • Atomic Density: 0.09791955753917171
  • Unit Cell Volume: 857.8470135181796
  • Molar Volume: 6.1500898404191675
  • Full Formula: Li4 Mn8 P8 H20 O44
  • Reduced Formula: LiMn2P2H5O11
  • Formula Anonymous: AB2C2D5E11
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -578.69974854
  • Final energy per atom: -6.889282720714285
  • 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.