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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214039

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-1214039
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Ca', 'Pr', 'Sb', 'O']
  • Chemical System: Ca-O-Pr-Sb
  • Density: 5.359520131864486
  • Atomic Density: 0.07162839624671498
  • Unit Cell Volume: 307.1407591512139
  • Molar Volume: 8.407476748826673
  • Full Formula: Ca3 Pr2 Sb3 O14
  • Reduced Formula: Ca3Pr2Sb3O14
  • Formula Anonymous: A2B3C3D14
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -158.92761263
  • Final energy per atom: -7.2239823922727275
  • 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.