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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199458

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-1199458
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 192
  • Number of elements: 7
  • Element list: ['Co', 'B', 'P', 'H', 'Pb', 'Cl', 'O']
  • Chemical System: B-Cl-Co-H-O-P-Pb
  • Density: 5.436903124691487
  • Atomic Density: 0.07447503137361615
  • Unit Cell Volume: 2578.045238232941
  • Molar Volume: 8.086120474107554
  • Full Formula: Co12 B6 P24 H12 Pb24 Cl6 O108
  • Reduced Formula: Co2BP4H2Pb4ClO18
  • Formula Anonymous: ABC2D2E4F4G18
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -1353.65127195
  • Final energy per atom: -7.05026704140625
  • 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.