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  1. Third-Parties
  2. MatprojStructure
  3. mp-1147590

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-1147590
  • 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: 23
  • Number of elements: 5
  • Element list: ['La', 'Nb', 'Cu', 'Cl', 'O']
  • Chemical System: Cl-Cu-La-Nb-O
  • Density: 4.591276865581543
  • Atomic Density: 0.06309622376406863
  • Unit Cell Volume: 364.52260734338586
  • Molar Volume: 9.544375876626432
  • Full Formula: La2 Nb4 Cu1 Cl2 O14
  • Reduced Formula: La2Nb4Cu(ClO7)2
  • Formula Anonymous: AB2C2D4E14
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -190.32946814
  • Final energy per atom: -8.275194266956522
  • 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.