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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218536

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-1218536
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 6
  • Element list: ['Sr', 'Ca', 'La', 'Tl', 'Cu', 'O']
  • Chemical System: Ca-Cu-La-O-Sr-Tl
  • Density: 6.487106001628371
  • Atomic Density: 0.07171129881801658
  • Unit Cell Volume: 362.5649016061026
  • Molar Volume: 8.39775720041346
  • Full Formula: Sr4 Ca1 La1 Tl2 Cu4 O14
  • Reduced Formula: Sr4CaLaTl2(Cu2O7)2
  • Formula Anonymous: ABC2D4E4F14
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -159.81549538
  • Final energy per atom: -6.146749822307692
  • 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.