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  1. Third-Parties
  2. MatprojStructure
  3. mp-850091

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-850091
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 145
  • Number of elements: 5
  • Element list: ['Li', 'Nb', 'Cr', 'P', 'O']
  • Chemical System: Cr-Li-Nb-O-P
  • Density: 3.1304874658214406
  • Atomic Density: 0.07629667837139234
  • Unit Cell Volume: 1900.4759197271708
  • Molar Volume: 7.893057585922403
  • Full Formula: Li9 Nb10 Cr6 P24 O96
  • Reduced Formula: Li9Nb10Cr6(PO4)24
  • Formula Anonymous: A6B9C10D24E96
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1180.17407325
  • Final energy per atom: -8.139131539655173
  • 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.