Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-32959

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-32959
  • 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: 6
  • Number of elements: 2
  • Element list: ['H', 'O']
  • Chemical System: H-O
  • Density: 1.5183229676779755
  • Atomic Density: 0.1522633225848976
  • Unit Cell Volume: 39.40541883718959
  • Molar Volume: 3.955082982405188
  • Full Formula: H4 O2
  • Reduced Formula: H2O
  • Formula Anonymous: AB2
  • Spacegroup Number: 102
  • Spacegroup Symbol: P4_2nm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -30.75168684
  • Final energy per atom: -5.12528114
  • 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.