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  1. Third-Parties
  2. MatprojStructure
  3. mp-1208389

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-1208389
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 5
  • Element list: ['U', 'Ni', 'As', 'H', 'O']
  • Chemical System: As-H-Ni-O-U
  • Density: 3.146467547948737
  • Atomic Density: 0.09190116879652628
  • Unit Cell Volume: 576.7064847384544
  • Molar Volume: 6.552844581697669
  • Full Formula: U2 Ni1 As2 H24 O24
  • Reduced Formula: U2NiAs2(HO)24
  • Formula Anonymous: AB2C2D24E24
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -326.79808011
  • Final energy per atom: -6.1660015115094335
  • 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.