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  1. Third-Parties
  2. MatprojStructure
  3. mp-721081

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-721081
  • 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: 72
  • Number of elements: 5
  • Element list: ['K', 'U', 'P', 'H', 'O']
  • Chemical System: H-K-O-P-U
  • Density: 3.331236936962762
  • Atomic Density: 0.0788184109191182
  • Unit Cell Volume: 913.4921544394607
  • Molar Volume: 7.640525468319572
  • Full Formula: K4 U4 P4 H24 O36
  • Reduced Formula: KUP(H2O3)3
  • Formula Anonymous: ABCD6E9
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -488.23069915
  • Final energy per atom: -6.780981932638889
  • 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.