Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195967

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-1195967
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 5
  • Element list: ['Sr', 'U', 'P', 'H', 'O']
  • Chemical System: H-O-P-Sr-U
  • Density: 3.6665536104368033
  • Atomic Density: 0.06428019880067734
  • Unit Cell Volume: 497.8204890004603
  • Molar Volume: 9.368578306165013
  • Full Formula: Sr2 U2 P4 H4 O20
  • Reduced Formula: SrUP2(HO5)2
  • Formula Anonymous: ABC2D2E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -228.73450161
  • Final energy per atom: -7.1479531753125
  • 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.