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  1. Third-Parties
  2. MatprojStructure
  3. mp-755680

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-755680
  • 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: 40
  • Number of elements: 5
  • Element list: ['Li', 'Nb', 'Cr', 'W', 'O']
  • Chemical System: Cr-Li-Nb-O-W
  • Density: 5.696544585086269
  • Atomic Density: 0.09368715917808075
  • Unit Cell Volume: 426.95285406154665
  • Molar Volume: 6.42792546260593
  • Full Formula: Li8 Nb2 Cr2 W4 O24
  • Reduced Formula: Li4NbCr(WO6)2
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -323.59970564
  • Final energy per atom: -8.089992641
  • 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.