# systems

unique_id: d2f56b151042bc5d5e1ec34571c18179
username: jensj
key_value_pairs:
  {"uid": "I2Ir2Se2-58e7cacee804-2-1_0_0_1-0_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrSe/I2Ir2Se2-58e7cacee804/I2Ir2Se2-2-1_0_0_1-0_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2Se2-58e7cacee804", "bilayer_uid": "I2Ir2Se2-58e7cacee804-2-1_0_0_1-0_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.557887540883137, "binding_energy_gs": 12.958217584376882, "distance": 3.279114142851837}


unique_id: fc7598408095f8f6819ef34bf35c72bc
username: jensj
key_value_pairs:
  {"uid": "I2Ir2Se2-58e7cacee804-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrSe/I2Ir2Se2-58e7cacee804/I2Ir2Se2-2-1_0_0_1-0.5_0", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2Se2-58e7cacee804", "bilayer_uid": "I2Ir2Se2-58e7cacee804-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 11.403463308945248, "binding_energy_gs": 10.80559264144091, "distance": 3.563060309281278}


unique_id: 59e56020e9577b6e2e00c830eac823a8
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "I2Ir2S2-3b5f1a6b5904", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrS/I2Ir2S2-3b5f1a6b5904", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2S2-3b5f1a6b5904", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 0 2 2 4 4]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.039427312444474116, "dynamically_stable": "Yes", "gap_pbe": 0.222, "gap_pbe_dir": 0.348, "gap_pbe_nosoc": 0.147, "gap_pbe_dir_nosoc": 0.28, "dipz": -0.0}


unique_id: e975cf75f4ed8a81516db8954f0ccc89
username: jensj
key_value_pairs:
  {"uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrS/I2Ir2S2-3b5f1a6b5904/I2Ir2S2-2-1_0_0_1-0_0", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2S2-3b5f1a6b5904", "bilayer_uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.085, "gap_pbe_dir": 0.19, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 20.025474869266805, "binding_energy_gs": 18.32028371610561, "distance": 2.8248808546183035}


unique_id: 11a441fd5edb6b43b6f4a674099f3a8a
username: jensj
key_value_pairs:
  {"uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrS/I2Ir2S2-3b5f1a6b5904/I2Ir2S2-2-1_0_0_1-0_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2S2-3b5f1a6b5904", "bilayer_uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.101, "gap_pbe_dir": 0.242, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "Unstable-Saddle", "binding_energy_zscan": 15.259068379939874, "binding_energy_gs": 13.573658042461181, "distance": 3.392303240370051}


unique_id: 1d640f66eef72375aeacb9cec4fd8b8c
username: jensj
key_value_pairs:
  {"uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrS/I2Ir2S2-3b5f1a6b5904/I2Ir2S2-2-1_0_0_1-0.5_0", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2S2-3b5f1a6b5904", "bilayer_uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.165, "gap_pbe_dir": 0.282, "gap_pbe_nosoc": 0.078, "gap_pbe_dir_nosoc": 0.188, "dipz": -0.0, "with_props": false, "slide_stability": "None", "binding_energy_zscan": 13.054996742897373, "binding_energy_gs": 11.376226525189601, "distance": 3.6416251977458174}


unique_id: 5139e612ef1e5a88f153b8a068539fb6
username: jensj
key_value_pairs:
  {"uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/IIrS/I2Ir2S2-3b5f1a6b5904/I2Ir2S2-2-1_0_0_1-0.5_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2Ir2S2-3b5f1a6b5904", "bilayer_uid": "I2Ir2S2-3b5f1a6b5904-2-1_0_0_1-0.5_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 37, "layer_group": "pmmm", "space_group_number": 47, "space_group": "Pmmm", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.169, "gap_pbe_dir": 0.297, "gap_pbe_nosoc": 0.083, "gap_pbe_dir_nosoc": 0.209, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 10.882627530705875, "binding_energy_gs": 9.208234838246595, "distance": 4.037101405997035}


unique_id: 23548a59e2eafa330812994ac98a0e35
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "I2N2Nb2-0a976c052dc8", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INNb/I2N2Nb2-0a976c052dc8", "stoichiometry": "ABC", "monolayer_uid": "I2N2Nb2-0a976c052dc8", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 0 2 2 4 4]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.0459240110626431, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0}


unique_id: b06ccb8ffafcdeffa67b898c96135bd7
username: jensj
key_value_pairs:
  {"uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INNb/I2N2Nb2-0a976c052dc8/I2N2Nb2-2-1_0_0_1-0_0", "stoichiometry": "ABC", "monolayer_uid": "I2N2Nb2-0a976c052dc8", "bilayer_uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.974918729885708, "binding_energy_gs": 17.874162126276524, "distance": 3.136005436251388}


unique_id: e8e8c8a64b29c35984d36f3b94f9ed5e
username: jensj
key_value_pairs:
  {"uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INNb/I2N2Nb2-0a976c052dc8/I2N2Nb2-2-1_0_0_1-0_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2N2Nb2-0a976c052dc8", "bilayer_uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 18.136792059579875, "binding_energy_gs": 14.020314157703877, "distance": 3.6020040771885427}


unique_id: b404d7adb4c96b01ad7310e11357c0f0
username: jensj
key_value_pairs:
  {"uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INNb/I2N2Nb2-0a976c052dc8/I2N2Nb2-2-1_0_0_1-0.5_0", "stoichiometry": "ABC", "monolayer_uid": "I2N2Nb2-0a976c052dc8", "bilayer_uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.83799491642604, "binding_energy_gs": 12.713737901668722, "distance": 3.7517893546326277}


unique_id: 3010670492c90a24cccbe37e84866854
username: jensj
key_value_pairs:
  {"uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INNb/I2N2Nb2-0a976c052dc8/I2N2Nb2-2-1_0_0_1-0.5_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2N2Nb2-0a976c052dc8", "bilayer_uid": "I2N2Nb2-0a976c052dc8-2-1_0_0_1-0.5_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 37, "layer_group": "pmmm", "space_group_number": 47, "space_group": "Pmmm", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 14.739771394961883, "binding_energy_gs": 10.6157259457108, "distance": 4.068002718125694}


unique_id: 483906f0191ecf03d0a7c2e52e5db05a
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "I2N2Ta2-32a0bad9df9d", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTa/I2N2Ta2-32a0bad9df9d", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ta2-32a0bad9df9d", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 0 2 2 4 4]", "has_inversion_symmetry": true, "magnetic": false, "ehull": 0.07424858229352294, "dynamically_stable": "Yes", "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0}


unique_id: 58bf1368c6da6ddb59226b3f28fbb41a
username: jensj
key_value_pairs:
  {"uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTa/I2N2Ta2-32a0bad9df9d/I2N2Ta2-2-1_0_0_1-0_0", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ta2-32a0bad9df9d", "bilayer_uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 21.43227846925142, "binding_energy_gs": 18.65486469453433, "distance": 3.125375377245131}


unique_id: 71b6e14fc74c859a15cf81aedcd6d11f
username: jensj
key_value_pairs:
  {"uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTa/I2N2Ta2-32a0bad9df9d/I2N2Ta2-2-1_0_0_1-0_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ta2-32a0bad9df9d", "bilayer_uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 17.400579896822375, "binding_energy_gs": 14.57416335236157, "distance": 3.5919486166863415}


unique_id: 5e8a61d46a8d4c61e4ec4ff0190cf4ba
username: jensj
key_value_pairs:
  {"uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0.5_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTa/I2N2Ta2-32a0bad9df9d/I2N2Ta2-2-1_0_0_1-0.5_0", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ta2-32a0bad9df9d", "bilayer_uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0.5_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 41, "layer_group": "pmma", "space_group_number": 51, "space_group": "Pmma", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 16.099708533720744, "binding_energy_gs": 13.270724544056938, "distance": 3.733586921516711}


unique_id: 59da313390e332157dba0ac7ed8f1442
username: jensj
key_value_pairs:
  {"uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0.5_-0.5", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTa/I2N2Ta2-32a0bad9df9d/I2N2Ta2-2-1_0_0_1-0.5_-0.5", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ta2-32a0bad9df9d", "bilayer_uid": "I2N2Ta2-32a0bad9df9d-2-1_0_0_1-0.5_-0.5", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 37, "layer_group": "pmmm", "space_group_number": 47, "space_group": "Pmmm", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "gap_pbe": 0.0, "gap_pbe_dir": 0.0, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": -0.0, "with_props": false, "slide_stability": "-", "binding_energy_zscan": 13.857279585622502, "binding_energy_gs": 11.021416581472339, "distance": 4.066853521117576}


unique_id: cb2267a976b1f0f06422bc85bed7afb7
username: jensj
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"uid": "I2N2Ti2-46ee28088a80", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTi/I2N2Ti2-46ee28088a80", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ti2-46ee28088a80", "number_of_layers": 1, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 0 2 2 4 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1537488, "icsd_id": 27394, "ehull": 0.0017441849995176728, "dynamically_stable": "Yes", "gap_pbe": 0.1, "gap_pbe_dir": 0.1, "gap_pbe_nosoc": 0.104, "gap_pbe_dir_nosoc": 0.104, "dipz": -0.0}


unique_id: fe94b26efa8c6a1f3c862f02909cc9b1
username: jensj
key_value_pairs:
  {"uid": "I2N2Ti2-46ee28088a80-2-1_0_0_1-0_0", "folder": "/home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/ABC/INTi/I2N2Ti2-46ee28088a80/I2N2Ti2-2-1_0_0_1-0_0", "stoichiometry": "ABC", "monolayer_uid": "I2N2Ti2-46ee28088a80", "bilayer_uid": "I2N2Ti2-46ee28088a80-2-1_0_0_1-0_0", "number_of_layers": 2, "nspecies": 3, "layer_group_number": 46, "layer_group": "pmmn", "space_group_number": 59, "space_group": "Pmmn", "equivalent_atoms": "[0 1 2 3 4 5 1 0 3 2 5 4]", "has_inversion_symmetry": true, "magnetic": false, "cod_id": 1537488, "icsd_id": 27394, "gap_pbe": 0.049, "gap_pbe_dir": 0.057, "gap_pbe_nosoc": 0.0, "gap_pbe_dir_nosoc": 0.0, "dipz": 0.0, "with_props": true, "slide_stability": "Stable", "binding_energy_zscan": 24.161446705691844, "binding_energy_gs": 17.151113046764955, "distance": 3.3093799955612635}


unique_id: 516f7752005570c69e672aa5279b2207
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