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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194627

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-1194627
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 6
  • Element list: ['H', 'Pb', 'C', 'S', 'I', 'N']
  • Chemical System: C-H-I-N-Pb-S
  • Density: 2.5137251547718575
  • Atomic Density: 0.06430176663889262
  • Unit Cell Volume: 653.1702345888037
  • Molar Volume: 9.365435935561898
  • Full Formula: H20 Pb2 C12 S4 I2 N2
  • Reduced Formula: H10PbC6S2IN
  • Formula Anonymous: ABCD2E6F10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -232.41416481
  • Final energy per atom: -5.533670590714285
  • 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.