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  1. Third-Parties
  2. MatprojStructure
  3. mp-1517137

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-1517137
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ca', 'Pr', 'Sb', 'O']
  • Chemical System: Ca-O-Pr-Sb
  • Density: 5.776019998538138
  • Atomic Density: 0.06682779726956363
  • Unit Cell Volume: 149.63833028437176
  • Molar Volume: 9.011430880638574
  • Full Formula: Ca1 Pr1 Sb2 O6
  • Reduced Formula: CaPr(SbO3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -68.08986107999999
  • Final energy per atom: -6.808986107999999
  • 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.