Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-25827

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-25827
  • 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: 34
  • Number of elements: 4
  • Element list: ['Li', 'Mo', 'P', 'O']
  • Chemical System: Li-Mo-O-P
  • Density: 3.620418211538645
  • Atomic Density: 0.07924248001194656
  • Unit Cell Volume: 429.06279554696135
  • Molar Volume: 7.599636910773243
  • Full Formula: Li2 Mo4 P6 O22
  • Reduced Formula: LiMo2P3O11
  • Formula Anonymous: AB2C3D11
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -272.64553949000003
  • Final energy per atom: -8.018986455588236
  • 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.