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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213493

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-1213493
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Lu', 'As', 'O']
  • Chemical System: As-Lu-O
  • Density: 5.579423366289162
  • Atomic Density: 0.04708411626814043
  • Unit Cell Volume: 424.77169765917523
  • Molar Volume: 12.79017477083858
  • Full Formula: Lu4 As8 O8
  • Reduced Formula: Lu(AsO)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -123.86026787
  • Final energy per atom: -6.1930133935
  • 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.