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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217365

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-1217365
  • 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: 15
  • Number of elements: 4
  • Element list: ['Th', 'Zr', 'U', 'O']
  • Chemical System: O-Th-U-Zr
  • Density: 9.084608688758397
  • Atomic Density: 0.0781154016437679
  • Unit Cell Volume: 192.02359181874232
  • Molar Volume: 7.709287327821671
  • Full Formula: Th1 Zr2 U2 O10
  • Reduced Formula: ThZr2U2O10
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -154.03953669
  • Final energy per atom: -10.269302446000001
  • 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.