Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-560246

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-560246
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Li', 'U', 'P', 'H', 'O']
  • Chemical System: H-Li-O-P-U
  • Density: 3.2662058362804696
  • Atomic Density: 0.09303141181302269
  • Unit Cell Volume: 451.46041730950895
  • Molar Volume: 6.473233763348103
  • Full Formula: Li2 U2 P2 H16 O20
  • Reduced Formula: LiUP(H4O5)2
  • Formula Anonymous: ABCD8E10
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -277.74700433
  • Final energy per atom: -6.613023912619047
  • 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.