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  1. Third-Parties
  2. MatprojStructure
  3. mp-1236541

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-1236541
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 5
  • Element list: ['Cs', 'Li', 'Ta', 'P', 'O']
  • Chemical System: Cs-Li-O-P-Ta
  • Density: 3.8480723362881815
  • Atomic Density: 0.058984800310310004
  • Unit Cell Volume: 220.39576181675602
  • Molar Volume: 10.209648465907216
  • Full Formula: Cs1 Li1 Ta1 P2 O8
  • Reduced Formula: CsLiTa(PO4)2
  • Formula Anonymous: ABCD2E8
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -100.55536825
  • Final energy per atom: -7.735028326923077
  • 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.