raw/materials_project/materials_project-part-127.jsonl

{"cif": "# generated using pymatgen\ndata_Si3Ge\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.47904487\n_cell_length_b   4.47904487\n_cell_length_c   4.47904487\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Si3Ge\n_chemical_formula_sum   'Si3 Ge1'\n_cell_volume   63.53912666\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.25000000  0.25000000  0.25000000  1.0\n  Si  Si1  1  0.75000000  0.75000000  0.75000000  1.0\n  Si  Si2  1  0.50000000  0.50000000  0.50000000  1.0\n  Ge  Ge3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Ge": 1.0, "Si": 3.0}, "description": "", "elements": ["Ge", "Si"], "formula": "Si3Ge", "identifiers": {"materials_project_id": "mp-972751"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.100351731484047, "energy_above_hull": 0.5275526387499987, "formation_energy_per_atom": 0.5275526387499987, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 5.03e-05, "volume": 63.5391266623148}, "record_id": "mp-972751", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.479044868846259, "alpha": 59.99999999999999, "b": 4.479044868846259, "beta": 59.99999999999999, "c": 4.479044868846259, "gamma": 59.99999999999999, "matrix": [[0.0, 3.167163, 3.167163], [3.167163, 0.0, 3.167163], [3.167163, 3.167163, 0.0]], "pbc": [true, true, true], "volume": 63.5391266623148}, "properties": {}, "sites": [{"abc": [0.25, 0.25, 0.25], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.5835815, 1.5835815, 1.5835815]}, {"abc": [0.75, 0.75, 0.75], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.7507445, 4.7507445, 4.7507445]}, {"abc": [0.5, 0.5, 0.5], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [3.167163, 3.167163, 3.167163]}, {"abc": [0.0, 0.0, 0.0], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-F 4 2 3", "number": 225, "point_group": "m-3m", "symbol": "Fm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Si7Ge\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.46539507\n_cell_length_b   5.46539507\n_cell_length_c   5.46539507\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Si7Ge\n_chemical_formula_sum   'Si7 Ge1'\n_cell_volume   163.25431993\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.25261521  0.25261521  0.25261521  1.0\n  Si  Si1  1  0.00000000  0.50000000  0.50000000  1.0\n  Si  Si2  1  0.50000000  0.50000000  -0.00000000  1.0\n  Si  Si3  1  0.50000000  -0.00000000  0.50000000  1.0\n  Si  Si4  1  0.74738479  0.25261521  0.74738479  1.0\n  Si  Si5  1  0.74738479  0.74738479  0.25261521  1.0\n  Si  Si6  1  0.25261521  0.74738479  0.74738479  1.0\n  Ge  Ge7  1  0.00000000  0.00000000  -0.00000000  1.0\n", "composition": {"Ge": 1.0, "Si": 7.0}, "description": "", "elements": ["Ge", "Si"], "formula": "Si7Ge", "identifiers": {"materials_project_id": "mp-1094056"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.4266999999999994, "density": 2.738555698202573, "energy_above_hull": 0.0031988031250005378, "formation_energy_per_atom": 0.0031988031250005378, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 163.25431993253048}, "record_id": "mp-1094056", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.46539507, "alpha": 90.0, "b": 5.46539507, "beta": 90.0, "c": 5.46539507, "gamma": 90.0, "matrix": [[5.46539507, 0.0, -0.0], [0.0, 5.46539507, 0.0], [0.0, 0.0, 5.46539507]], "pbc": [true, true, true], "volume": 163.25431993253048}, "properties": {}, "sites": [{"abc": [0.25261521, 0.25261521, 0.25261521], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.3806419233410145, 1.3806419233410145, 1.3806419233410145]}, {"abc": [0.0, 0.5, 0.5], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 2.732697535, 2.732697535]}, {"abc": [0.5, 0.5, -0.0], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.732697535, 2.732697535, 0.0]}, {"abc": [0.5, -0.0, 0.5], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.732697535, 0.0, 2.732697535]}, {"abc": [0.74738479, 0.25261521, 0.74738479], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.0847531466589855, 1.3806419233410145, 4.0847531466589855]}, {"abc": [0.74738479, 0.74738479, 0.25261521], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.0847531466589855, 4.0847531466589855, 1.3806419233410145]}, {"abc": [0.25261521, 0.74738479, 0.74738479], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.3806419233410145, 4.0847531466589855, 4.0847531466589855]}, {"abc": [0.0, 0.0, -0.0], "label": "Ge", "properties": {}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "P -4 2 3", "number": 215, "point_group": "-43m", "symbol": "P-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiGe\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.90445060\n_cell_length_b   3.90445060\n_cell_length_c   6.45078300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99997623\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiGe\n_chemical_formula_sum   'Si2 Ge2'\n_cell_volume   85.16536904\n_cell_formula_units_Z   2\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.00000000  0.00000000  0.37460700  1.0\n  Si  Si1  1  0.33333400  0.66666600  0.87460800  1.0\n  Ge  Ge2  1  0.00000000  0.00000000  0.00039200  1.0\n  Ge  Ge3  1  0.33333400  0.66666600  0.50039200  1.0\n", "composition": {"Ge": 2.0, "Si": 2.0}, "description": "", "elements": ["Ge", "Si"], "formula": "SiGe", "identifiers": {"materials_project_id": "mp-978534"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.40890000000000004, "density": 3.927855415049474, "energy_above_hull": 0.030787385, "formation_energy_per_atom": 0.030787385, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 85.16536904370481}, "record_id": "mp-978534", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.904450597162807, "alpha": 90.0, "b": 3.904450597162807, "beta": 90.0, "c": 6.450783, "gamma": 119.99997622944257, "matrix": [[1.952226, -3.381353, 0.0], [1.952226, 3.381353, 0.0], [0.0, 0.0, 6.450783]], "pbc": [true, true, true], "volume": 85.16536904370481}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.374607], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 2.4165084672810004]}, {"abc": [0.333334, 0.666666, 0.874608], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.952226, 1.1271131581959999, 5.641906418064001]}, {"abc": [0.0, 0.0, 0.000392], "label": "Ge", "properties": {}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.0, 0.0, 0.002528706936]}, {"abc": [0.333334, 0.666666, 0.500392], "label": "Ge", "properties": {}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.952226, 1.1271131581959999, 3.227920206936]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiGe\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.60063800\n_cell_length_b   11.19939700\n_cell_length_c   11.20083406\n_cell_angle_alpha   89.99395881\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiGe\n_chemical_formula_sum   'Si16 Ge16'\n_cell_volume   702.55851787\n_cell_formula_units_Z   16\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.00521300  0.37731200  0.99778900  1.0\n  Si  Si1  1  0.99479700  0.87270600  0.00220500  1.0\n  Si  Si2  1  0.50521300  0.62268800  0.00221100  1.0\n  Si  Si3  1  0.49479700  0.12729400  0.99779500  1.0\n  Si  Si4  1  0.00541500  0.62734200  0.24531500  1.0\n  Si  Si5  1  0.99457200  0.12267800  0.24994300  1.0\n  Si  Si6  1  0.50541500  0.37265800  0.75468500  1.0\n  Si  Si7  1  0.49457200  0.87732200  0.75005700  1.0\n  Si  Si8  1  0.24587000  0.50332700  0.12114300  1.0\n  Si  Si9  1  0.25412500  0.99893400  0.62650700  1.0\n  Si  Si10  1  0.74587000  0.49667300  0.87885700  1.0\n  Si  Si11  1  0.75412500  0.00106600  0.37349300  1.0\n  Si  Si12  1  0.24556500  0.74905400  0.37111800  1.0\n  Si  Si13  1  0.25421100  0.25318900  0.87660300  1.0\n  Si  Si14  1  0.75421100  0.74681100  0.12339700  1.0\n  Si  Si15  1  0.74556500  0.25094600  0.62888200  1.0\n  Ge  Ge16  1  0.99442100  0.37268400  0.50239500  1.0\n  Ge  Ge17  1  0.00557100  0.87731300  0.49759300  1.0\n  Ge  Ge18  1  0.49442100  0.62731600  0.49760500  1.0\n  Ge  Ge19  1  0.50557100  0.12268700  0.50240700  1.0\n  Ge  Ge20  1  0.99465900  0.62270900  0.75455200  1.0\n  Ge  Ge21  1  0.00537900  0.12728700  0.74989500  1.0\n  Ge  Ge22  1  0.49465900  0.37729100  0.24544800  1.0\n  Ge  Ge23  1  0.50537900  0.87271300  0.25010500  1.0\n  Ge  Ge24  1  0.25471400  0.49669900  0.62875300  1.0\n  Ge  Ge25  1  0.24549800  0.00105900  0.12340300  1.0\n  Ge  Ge26  1  0.75471400  0.50330100  0.37124700  1.0\n  Ge  Ge27  1  0.74549800  0.99894100  0.87659700  1.0\n  Ge  Ge28  1  0.25440100  0.75118500  0.87875200  1.0\n  Ge  Ge29  1  0.24559100  0.24660300  0.37345500  1.0\n  Ge  Ge30  1  0.74559100  0.75339700  0.62654500  1.0\n  Ge  Ge31  1  0.75440100  0.24881500  0.12124800  1.0\n", "composition": {"Ge": 16.0, "Si": 16.0}, "description": "", "elements": ["Ge", "Si"], "formula": "SiGe", "identifiers": {"materials_project_id": "mp-1096549"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.5090999999999992, "density": 3.8091318796931004, "energy_above_hull": 0.017484763124999247, "formation_energy_per_atom": 0.017484763124999247, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0017382, "volume": 702.5585178740615}, "record_id": "mp-1096549", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.600638, "alpha": 89.99395881455308, "b": 11.199397, "beta": 90.0, "c": 11.20083406226148, "gamma": 90.0, "matrix": [[5.600638, 0.0, 0.0], [0.0, 11.199397, 0.0], [0.0, 0.001181, 11.200834]], "pbc": [true, true, true], "volume": 702.5585178740615}, "properties": {}, "sites": [{"abc": [0.005213, 0.377312, 0.997789], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.029196125894, 4.2268452696729994, 11.176068956026]}, {"abc": [0.994797, 0.872706, 0.002205], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.5714978804860005, 9.773783562386999, 0.02469783897]}, {"abc": [0.505213, 0.622688, 0.002211], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.8295151258940003, 6.973732730327, 0.024765043974]}, {"abc": [0.494797, 0.127294, 0.997795], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.771178880486, 1.4267944376129997, 11.17613616103]}, {"abc": [0.005415, 0.627342, 0.245315], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.030327454769999998, 7.026141829788999, 2.7477325927100003]}, {"abc": [0.994572, 0.122678, 0.249943], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [5.570237736936, 1.374214807849, 2.799570052462]}, {"abc": [0.505415, 0.372658, 0.754685], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.8306464547699997, 4.174436170211, 8.453101407290001]}, {"abc": [0.494572, 0.877322, 0.750057], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [2.769918736936, 9.826363192151, 8.401263947538]}, {"abc": [0.24587, 0.503327, 0.121143], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.37702886506, 5.6371019637019995, 1.356902633262]}, {"abc": [0.254125, 0.998934, 0.626507], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.42326213175, 11.188198347564999, 7.0174009068380006]}, {"abc": [0.74587, 0.496673, 0.878857], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.17734786506, 5.563476036297999, 9.843931366738]}, {"abc": [0.754125, 0.001066, 0.373493], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.2235811317500005, 0.012379652435000001, 4.183433093162001]}, {"abc": [0.245565, 0.749054, 0.371118], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.37532067047, 8.389391410796, 4.156831112412]}, {"abc": [0.254211, 0.253189, 0.876603], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [1.423743786618, 2.836599395176, 9.818684686902001]}, {"abc": [0.754211, 0.746811, 0.123397], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.224062786618, 8.363978604824, 1.382149313098]}, {"abc": [0.745565, 0.250946, 0.628882], "label": "Si", "properties": {"magmom": 0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [4.17563967047, 2.811186589204, 7.044002887588001]}, {"abc": [0.994421, 0.372684, 0.502395], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [5.569392040598, 4.1744294000430004, 5.627242997430001]}, {"abc": [0.005571, 0.877313, 0.497593], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.031201154298, 9.825964237593999, 5.5734565925620005]}, {"abc": [0.494421, 0.627316, 0.497605], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [2.769073040598, 7.026148599957, 5.573591002570001]}, {"abc": [0.505571, 0.122687, 0.502407], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [2.831520154298, 1.374613762406, 5.627377407438001]}, {"abc": [0.994659, 0.622709, 0.754552], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [5.570724992442, 6.974856432384999, 8.451611696368]}, {"abc": [0.005379, 0.127287, 0.749895], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.030125831802, 1.4264232719340002, 8.39944941243]}, {"abc": [0.494659, 0.377291, 0.245448], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [2.770405992442, 4.2257215676149995, 2.749222303632]}, {"abc": [0.505379, 0.872713, 0.250105], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [2.830444831802, 9.774154728066, 2.8013845875700003]}, {"abc": [0.254714, 0.496699, 0.628753], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.426560907532, 5.5634718477959995, 7.042557980002]}, {"abc": [0.245498, 0.001059, 0.123403], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.3749454277239999, 0.012005900366000001, 1.382216518102]}, {"abc": [0.754714, 0.503301, 0.371247], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [4.226879907532, 5.637106152204, 4.1582760199980005]}, {"abc": [0.745498, 0.998941, 0.876597], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [4.175264427724, 11.188572099634, 9.818617481898]}, {"abc": [0.254401, 0.751185, 0.878752], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.424807907838, 8.413856841557, 9.842755279168]}, {"abc": [0.245591, 0.246603, 0.373455], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.3754662870580001, 2.7622459487459996, 4.18300746147]}, {"abc": [0.745591, 0.753397, 0.626545], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [4.175785287058, 8.438332051254, 7.0178265385300005]}, {"abc": [0.754401, 0.248815, 0.121248], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [4.225126907838, 2.7867211584429996, 1.358078720832]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "P 2yb", "number": 4, "point_group": "2", "symbol": "P2_1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiGe\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.91943937\n_cell_length_b   3.91943937\n_cell_length_c   3.91943937\n_cell_angle_alpha   60.00000000\n_cell_angle_beta   60.00000000\n_cell_angle_gamma   60.00000000\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiGe\n_chemical_formula_sum   'Si1 Ge1'\n_cell_volume   42.57521558\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.00000000  -0.00000000  0.00000000  1.0\n  Ge  Ge1  1  0.25000000  0.25000000  0.25000000  1.0\n", "composition": {"Ge": 1.0, "Si": 1.0}, "description": "", "elements": ["Ge", "Si"], "formula": "SiGe", "identifiers": {"materials_project_id": "mp-1219182"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.6059999999999999, "density": 3.9285444758328234, "energy_above_hull": 0.016203427499998924, "formation_energy_per_atom": 0.016203427499998924, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 42.57521558313115}, "record_id": "mp-1219182", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.9194393742758327, "alpha": 59.99999999999999, "b": 3.9194393742758327, "beta": 59.99999999999999, "c": 3.9194393742758327, "gamma": 59.99999999999999, "matrix": [[0.0, 2.77146216, 2.77146216], [2.77146216, 0.0, 2.77146216], [2.77146216, 2.77146216, 0.0]], "pbc": [true, true, true], "volume": 42.57521558313115}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.0], "label": "Si", "properties": {}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.25, 0.25, 0.25], "label": "Ge", "properties": {}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.38573108, 1.38573108, 1.38573108]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F -4 2 3", "number": 216, "point_group": "-43m", "symbol": "F-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_SiGe3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.47157511\n_cell_length_b   5.47157511\n_cell_length_c   5.47157511\n_cell_angle_alpha   137.37537128\n_cell_angle_beta   137.37537128\n_cell_angle_gamma   61.86100596\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   SiGe3\n_chemical_formula_sum   'Si1 Ge3'\n_cell_volume   74.24575368\n_cell_formula_units_Z   1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n  1  'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_occupancy\n  Si  Si0  1  0.00000000  0.00000000  0.00000000  1.0\n  Ge  Ge1  1  0.75000000  0.25000000  0.50000000  1.0\n  Ge  Ge2  1  0.25000000  0.75000000  0.50000000  1.0\n  Ge  Ge3  1  0.50000000  0.50000000  0.00000000  1.0\n", "composition": {"Ge": 3.0, "Si": 1.0}, "description": "", "elements": ["Ge", "Si"], "formula": "SiGe3", "identifiers": {"materials_project_id": "mp-1187004"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.5020216462840565, "energy_above_hull": 0.4211281137500009, "formation_energy_per_atom": 0.4211281137500009, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 2.7e-06, "volume": 74.24575368493724}, "record_id": "mp-1187004", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.471575110981115, "alpha": 137.37537128381214, "b": 5.471575110981115, "beta": 137.37537128381214, "c": 5.471575110981115, "gamma": 61.86100596184793, "matrix": [[-1.988652, 1.988652, 4.69347], [1.988652, -1.988652, 4.69347], [1.988652, 1.988652, -4.69347]], "pbc": [true, true, true], "volume": 74.24575368493724}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Si", "properties": {"magmom": -0.0}, "species": [{"element": "Si", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.75, 0.25, 0.5], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.0, 1.988652, 2.346735]}, {"abc": [0.25, 0.75, 0.5], "label": "Ge", "properties": {"magmom": 0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [1.988652, 0.0, 2.346735]}, {"abc": [0.5, 0.5, 0.0], "label": "Ge", "properties": {"magmom": -0.0}, "species": [{"element": "Ge", "occu": 1.0}], "xyz": [0.0, 0.0, 4.69347]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-I 4 2", "number": 139, "point_group": "4/mmm", "symbol": "I4/mmm", "symprec": 0.1, "version": "2.7.0"}}}