Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-779443

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-779443
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 5
  • Element list: ['Li', 'Mn', 'P', 'H', 'O']
  • Chemical System: H-Li-Mn-O-P
  • Density: 2.94329623449494
  • Atomic Density: 0.09552625088336886
  • Unit Cell Volume: 293.1131468164298
  • Molar Volume: 6.304173674053879
  • Full Formula: Li4 Mn2 P4 H2 O16
  • Reduced Formula: Li2MnP2HO8
  • Formula Anonymous: ABC2D2E8
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -202.54296707
  • Final energy per atom: -7.233677395357143
  • 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.