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  1. Third-Parties
  2. MatprojStructure
  3. mp-1198868

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-1198868
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['U', 'Zn', 'P', 'H', 'O']
  • Chemical System: H-O-P-U-Zn
  • Density: 4.472295249249347
  • Atomic Density: 0.09337177734946651
  • Unit Cell Volume: 1199.5059233028503
  • Molar Volume: 6.449637064806722
  • Full Formula: U4 Zn16 P8 H24 O60
  • Reduced Formula: UZn4P2(H2O5)3
  • Formula Anonymous: AB2C4D6E15
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -726.40685395
  • Final energy per atom: -6.485775481696429
  • 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.