Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1567719

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-1567719
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 4
  • Element list: ['Fe', 'Mo', 'H', 'O']
  • Chemical System: Fe-H-Mo-O
  • Density: 2.8011416889309784
  • Atomic Density: 0.08223483239419338
  • Unit Cell Volume: 510.73248132461237
  • Molar Volume: 7.323102126764017
  • Full Formula: Fe2 Mo4 H14 O22
  • Reduced Formula: FeMo2H7O11
  • Formula Anonymous: AB2C7D11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -281.43312665
  • Final energy per atom: -6.700788729761905
  • 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.