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  1. Third-Parties
  2. MatprojStructure
  3. mp-773874

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-773874
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Cu', 'Sb', 'P', 'O']
  • Chemical System: Cu-O-P-Sb
  • Density: 3.5175308805365826
  • Atomic Density: 0.07211948515416482
  • Unit Cell Volume: 471.43986021697964
  • Molar Volume: 8.35022705323934
  • Full Formula: Cu1 Sb3 P6 O24
  • Reduced Formula: CuSb3(PO4)6
  • Formula Anonymous: AB3C6D24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -243.7409724
  • Final energy per atom: -7.168852129411765
  • 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.