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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229056

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-1229056
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['As', 'P', 'Pb', 'Cl', 'O']
  • Chemical System: As-Cl-O-P-Pb
  • Density: 6.877809731944437
  • Atomic Density: 0.06115508178476216
  • Unit Cell Volume: 686.7785762730355
  • Molar Volume: 9.847326803020515
  • Full Formula: As3 P3 Pb10 Cl2 O24
  • Reduced Formula: As3P3Pb10(ClO12)2
  • Formula Anonymous: A2B3C3D10E24
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -274.73849663
  • Final energy per atom: -6.541392776904762
  • 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.