Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-849392

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-849392
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 68
  • Number of elements: 5
  • Element list: ['Li', 'V', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-V
  • Density: 2.7062235077488164
  • Atomic Density: 0.09599175080975514
  • Unit Cell Volume: 708.394204985055
  • Molar Volume: 6.273602376453376
  • Full Formula: Li18 V4 P8 H2 O36
  • Reduced Formula: Li9V2P4HO18
  • Formula Anonymous: AB2C4D9E18
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -474.49249196
  • Final energy per atom: -6.977830764117647
  • 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.