raw/materials_project/materials_project-part-175.jsonl

{"cif": "# generated using pymatgen\ndata_Zn35Cu17\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.68558200\n_cell_length_b   7.68794532\n_cell_length_c   12.62371374\n_cell_angle_alpha   89.93724365\n_cell_angle_beta   89.92580970\n_cell_angle_gamma   70.68331851\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Zn35Cu17\n_chemical_formula_sum   'Zn35 Cu17'\n_cell_volume   703.89814631\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  Zn  Zn0  1  0.21598700  0.00011900  0.99943400  1.0\n  Zn  Zn1  1  0.71694700  0.49942700  0.50036300  1.0\n  Zn  Zn2  1  0.49995700  0.28396600  0.50050300  1.0\n  Zn  Zn3  1  0.00257800  0.78241600  0.99754000  1.0\n  Zn  Zn4  1  0.89464400  0.10528400  0.88983900  1.0\n  Zn  Zn5  1  0.39540800  0.60495300  0.39084300  1.0\n  Zn  Zn6  1  0.39485500  0.60524000  0.60982800  1.0\n  Zn  Zn7  1  0.89578400  0.10837800  0.10891400  1.0\n  Zn  Zn8  1  0.34473400  0.27332900  0.99927300  1.0\n  Zn  Zn9  1  0.84463400  0.77360300  0.50036300  1.0\n  Zn  Zn10  1  0.48634100  0.86240600  0.86149900  1.0\n  Zn  Zn11  1  0.98654400  0.36243300  0.36239100  1.0\n  Zn  Zn12  1  0.98659200  0.36213900  0.63802600  1.0\n  Zn  Zn13  1  0.48143600  0.86322100  0.13706100  1.0\n  Zn  Zn14  1  0.22629600  0.15551300  0.50027700  1.0\n  Zn  Zn15  1  0.72542600  0.65401900  0.99769500  1.0\n  Zn  Zn16  1  0.63770800  0.01349300  0.63805800  1.0\n  Zn  Zn17  1  0.14120300  0.51063500  0.13767600  1.0\n  Zn  Zn18  1  0.13814900  0.51294500  0.86128700  1.0\n  Zn  Zn19  1  0.63609100  0.01566900  0.36406700  1.0\n  Zn  Zn20  1  0.96261500  0.03754800  0.68936600  1.0\n  Zn  Zn21  1  0.46244900  0.53798400  0.18966700  1.0\n  Zn  Zn22  1  0.82787300  0.45040800  0.82372300  1.0\n  Zn  Zn23  1  0.32755700  0.95105000  0.32438700  1.0\n  Zn  Zn24  1  0.54876300  0.17248600  0.82369300  1.0\n  Zn  Zn25  1  0.05336400  0.67019200  0.32665600  1.0\n  Zn  Zn26  1  0.46242100  0.53747200  0.81030400  1.0\n  Zn  Zn27  1  0.96418400  0.03966300  0.31191800  1.0\n  Zn  Zn28  1  0.04897900  0.67250700  0.67569800  1.0\n  Zn  Zn29  1  0.54642400  0.17572000  0.17571900  1.0\n  Zn  Zn30  1  0.32764800  0.95131100  0.67574600  1.0\n  Zn  Zn31  1  0.82778200  0.44761100  0.17578500  1.0\n  Zn  Zn32  1  0.82014200  0.81991400  0.17969600  1.0\n  Zn  Zn33  1  0.64033600  0.35930800  0.99973100  1.0\n  Zn  Zn34  1  0.14051900  0.85950200  0.50033500  1.0\n  Cu  Cu35  1  0.67879400  0.67871300  0.67828000  1.0\n  Cu  Cu36  1  0.17890400  0.17837100  0.17844000  1.0\n  Cu  Cu37  1  0.17864600  0.17890000  0.82174600  1.0\n  Cu  Cu38  1  0.67873600  0.67839700  0.32197300  1.0\n  Cu  Cu39  1  0.35685200  0.64339400  0.00011200  1.0\n  Cu  Cu40  1  0.85644500  0.14342700  0.50001900  1.0\n  Cu  Cu41  1  0.82097700  0.82141300  0.82190000  1.0\n  Cu  Cu42  1  0.32112900  0.32125600  0.32175100  1.0\n  Cu  Cu43  1  0.32117900  0.32124300  0.67836400  1.0\n  Cu  Cu44  1  0.65536800  0.00134200  0.00019100  1.0\n  Cu  Cu45  1  0.15562100  0.50110600  0.50040100  1.0\n  Cu  Cu46  1  0.99862900  0.34525900  0.99987300  1.0\n  Cu  Cu47  1  0.49843600  0.84458500  0.49988900  1.0\n  Cu  Cu48  1  0.67225600  0.32771500  0.67201000  1.0\n  Cu  Cu49  1  0.17083000  0.82767000  0.17209900  1.0\n  Cu  Cu50  1  0.17269600  0.82750000  0.82769200  1.0\n  Cu  Cu51  1  0.67213600  0.32784400  0.32789900  1.0\n", "composition": {"Cu": 17.0, "Zn": 35.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "Zn35Cu17", "identifiers": {"materials_project_id": "mp-1216020"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.949086802363189, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.10122845576923058, "is_stable": true, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0438016, "volume": 703.8981463068411}, "record_id": "mp-1216020", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.685582, "alpha": 89.937243651476, "b": 7.687945316170049, "beta": 89.92580970281504, "c": 12.623713735814828, "gamma": 70.68331850803598, "matrix": [[7.685582, 0.0, 0.0], [2.543089, 7.25515, 0.0], [0.016346, 0.008922, 12.6237]], "pbc": [true, true, true], "volume": 703.8981463068411}, "properties": {}, "sites": [{"abc": [0.215987, 0.000119, 0.999434], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.6766251751890002, 0.009780312998, 12.6165549858]}, {"abc": [0.716947, 0.499427, 0.500363], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.788421201755, 3.627882037736, 6.316432403099999]}, {"abc": [0.499957, 0.283966, 0.500503], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.572792552986, 2.0646814126660002, 6.3181997211]}, {"abc": [0.002578, 0.782416, 0.99754], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.0258727422600002, 5.685445494280001, 12.592645698]}, {"abc": [0.894644, 0.105284, 0.889839], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.1581517133779995, 0.7717903561580001, 11.2330605843]}, {"abc": [0.395408, 0.604953, 0.390843], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.583778646951, 4.3925118591959995, 4.9338847791]}, {"abc": [0.394855, 0.60524, 0.609828], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.583837915458, 4.396547871416001, 7.6982857236]}, {"abc": [0.895784, 0.108378, 0.108914], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.162016594174, 0.7872703774080001, 1.3748976618]}, {"abc": [0.344734, 0.273329, 0.999273], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.3609155149270005, 1.991958408056, 12.614522570099998]}, {"abc": [0.844634, 0.773603, 0.500363], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [8.467024080253001, 5.617070044136001, 6.316432403099999]}, {"abc": [0.486341, 0.862406, 0.861499], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.945070910250001, 6.264571184978, 10.8753049263]}, {"abc": [0.986544, 0.362433, 0.362391], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [8.509787827431, 2.632739032452, 4.5747152667]}, {"abc": [0.986592, 0.362139, 0.638026], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [8.513914596911, 2.633065233822, 8.0542488162]}, {"abc": [0.481436, 0.863221, 0.137061], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.897604084527, 6.264020696392001, 1.7302169456999998]}, {"abc": [0.226296, 0.155513, 0.500277], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.1428773917710005, 1.132733613344, 6.315346764899999]}, {"abc": [0.725426, 0.654019, 0.997695], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.254857855093, 4.7539073826400005, 12.594602371499999]}, {"abc": [0.637708, 0.013493, 0.638058], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.945900722001, 0.103586492426, 8.0546527746]}, {"abc": [0.141203, 0.510635, 0.137676], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.386067938557, 3.705961865522, 1.7379805212]}, {"abc": [0.138149, 0.512945, 0.861287], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.380298852125, 3.729177319364, 10.8726287019]}, {"abc": [0.636091, 0.015669, 0.364067], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.934528240685, 0.11692915112399999, 4.5958725879]}, {"abc": [0.962615, 0.037548, 0.689366], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.505012799338, 0.278566895652, 8.7023495742]}, {"abc": [0.462449, 0.537984, 0.189667], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.925431199676, 3.9048468265740004, 2.3942993079]}, {"abc": [0.827873, 0.450408, 0.823723], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.521578033556, 3.275126857806, 10.398432035099999]}, {"abc": [0.327557, 0.95105, 0.324387], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.941373406526, 6.902904588314, 4.094964171899999]}, {"abc": [0.548763, 0.172486, 0.823693], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.669674370098, 1.258760791846, 10.3980533241]}, {"abc": [0.053364, 0.670192, 0.326656], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.1198308199120004, 4.865257913632001, 4.1236073472]}, {"abc": [0.462421, 0.537472, 0.810304], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.934058874214, 3.906669513088, 10.2290346048]}, {"abc": [0.964184, 0.039663, 0.311918], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.5162803457230005, 0.29054394684600005, 3.9375592565999993]}, {"abc": [0.048979, 0.672507, 0.675698], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.0977222344090003, 4.885167738606, 8.5298088426]}, {"abc": [0.546424, 0.17572, 0.175719], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.649330360622, 1.276442722918, 2.2182239402999997]}, {"abc": [0.327648, 0.951311, 0.675746], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.9484798549310005, 6.907933007462, 8.5304147802]}, {"abc": [0.827782, 0.447611, 0.175785], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.503174431113, 3.2490533004200004, 2.2190571045]}, {"abc": [0.820142, 0.819914, 0.179696], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [8.391320177806, 5.9502023048120005, 2.2684283952]}, {"abc": [0.640336, 0.359308, 0.999731], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.851448660890001, 2.6157530361820003, 12.6203042247]}, {"abc": [0.140519, 0.859502, 0.500335], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.273938854646, 6.240279924170001, 6.3160789395]}, {"abc": [0.678794, 0.678713, 0.67828], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [6.954041677445001, 4.930216236110001, 8.562403236]}, {"abc": [0.178904, 0.178371, 0.17844], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.8315114703870001, 1.29570040233, 2.2525730279999996]}, {"abc": [0.178646, 0.1789, 0.821746], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.841389364188, 1.305277952812, 10.3734749802]}, {"abc": [0.678736, 0.678397, 0.321973], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [6.946968103343001, 4.924744637656001, 4.0644905601]}, {"abc": [0.356852, 0.643394, 0.000112], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.378825342682, 4.667920978364001, 0.0014138544]}, {"abc": [0.856445, 0.143427, 0.500019], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [6.955199212567, 1.045045568568, 6.3120898503]}, {"abc": [0.820977, 0.821413, 0.8219], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [8.412047195771, 5.9668075187500005, 10.37541903]}, {"abc": [0.321129, 0.321256, 0.321751], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.2903052037080003, 2.333631130822, 4.0616880987]}, {"abc": [0.321179, 0.321243, 0.678364], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.296485618749, 2.336718515058, 8.563463626799999]}, {"abc": [0.655368, 0.001342, 0.000191], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.040300451699999, 0.009738115402000001, 0.0024111267]}, {"abc": [0.155621, 0.501106, 0.500401], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.478574667602, 3.6400637736220007, 6.316912103699999]}, {"abc": [0.998629, 0.345259, 0.999873], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [8.569413356187, 2.5138267007560002, 12.622096790099999]}, {"abc": [0.498436, 0.844585, 0.499889], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.986796758411, 6.1320508724080005, 6.3104487693]}, {"abc": [0.672256, 0.327715, 0.67201], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [6.011071700086999, 2.38361715547, 8.483252637]}, {"abc": [0.17083, 0.82767, 0.172099], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.420579575944, 6.006405467778, 2.1725261463]}, {"abc": [0.172696, 0.8275, 0.827692], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [3.4452048700040003, 6.011021293024, 10.4485355004]}, {"abc": [0.672136, 0.327844, 0.327899], "label": "Cu", "properties": {"magmom": -0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [6.004852650322, 2.3814829114780003, 4.1392986063]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "P 1", "number": 1, "point_group": "1", "symbol": "P1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Zn3Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.37678012\n_cell_length_b   5.37692684\n_cell_length_c   4.21903580\n_cell_angle_alpha   89.99999515\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99909737\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Zn3Cu\n_chemical_formula_sum   'Zn6 Cu2'\n_cell_volume   105.63411453\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  Zn  Zn0  1  0.16973091  0.33945947  0.24999962  1.0\n  Zn  Zn1  1  0.66054011  0.83026849  0.24999960  1.0\n  Zn  Zn2  1  0.16973044  0.83026891  0.24999962  1.0\n  Zn  Zn3  1  0.83027144  0.66053953  0.74999938  1.0\n  Zn  Zn4  1  0.33946153  0.16973009  0.74999938  1.0\n  Zn  Zn5  1  0.83027061  0.16973051  0.74999940  1.0\n  Cu  Cu6  1  0.33333063  0.66666730  0.74999932  1.0\n  Cu  Cu7  1  0.66666333  0.33333170  0.24999968  1.0\n", "composition": {"Cu": 2.0, "Zn": 6.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "Zn3Cu", "identifiers": {"materials_project_id": "mp-972042"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.167119447308355, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.08087976249999951, "is_stable": true, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 105.63411453293237}, "record_id": "mp-972042", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.37678012, "alpha": 89.99999514565162, "b": 5.376926838808642, "beta": 90.0, "c": 4.219035800000003, "gamma": 119.99909736598694, "matrix": [[5.37678012, 0.0, 0.0], [-2.68839006, 4.65659759, 2.9e-07], [0.0, 1.5e-07, 4.2190358]], "pbc": [true, true, true], "volume": 105.63411453293237}, "properties": {}, "sites": [{"abc": [0.16973091, 0.33945947, 0.24999962], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.317716641168758e-06, 1.5807261874046201, 1.0547574452096424]}, {"abc": [0.66054011, 0.83026849, 0.2499996], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3194933762634036, 3.866226287086879, 1.054757503163542]}, {"abc": [0.16973044, 0.83026891, 0.24999962], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.319483429220182, 3.86622824285787, 1.0547575875443802]}, {"abc": [0.83027144, 0.66053953, 0.74999938], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.688399066106701, 3.0758668959976396, 3.1642744257542677]}, {"abc": [0.33946153, 0.16973009, 0.74999938], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3689093191698782, 0.7903648405443899, 3.1642742834195303]}, {"abc": [0.83027061, 0.16973051, 0.7499994], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.007880694105543, 0.7903667963153809, 3.164274367800368]}, {"abc": [0.33333063, 0.6666673, 0.74999932], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [-1.6237875962277215e-05, 3.1044014550117045, 3.1642741743891736]}, {"abc": [0.66666333, 0.3333317, 0.24999968], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.6883765105140975, 1.552191628390555, 1.0547576965747372]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6c 2c", "number": 194, "point_group": "6/mmm", "symbol": "P6_3/mmc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Zn3Cu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.64373891\n_cell_length_b   2.64373891\n_cell_length_c   8.54103800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   110.07302290\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Zn3Cu\n_chemical_formula_sum   'Zn3 Cu1'\n_cell_volume   56.07015245\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  Zn  Zn0  1  0.50000000  0.50000000  0.76368000  1.0\n  Zn  Zn1  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn2  1  0.50000000  0.50000000  0.23632000  1.0\n  Cu  Cu3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Cu": 1.0, "Zn": 3.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "Zn3Cu", "identifiers": {"materials_project_id": "mp-1215483"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.693277024098876, "energy_above_hull": 0.0819308999999997, "formation_energy_per_atom": 0.0010511375000001877, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0053184, "volume": 56.070152446002844}, "record_id": "mp-1215483", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.6437389069528026, "alpha": 90.0, "b": 2.6437389069528026, "beta": 90.0, "c": 8.541038, "gamma": 110.07302289534361, "matrix": [[1.515006, -2.16659, 0.0], [1.515006, 2.16659, 0.0], [0.0, 0.0, 8.541038]], "pbc": [true, true, true], "volume": 56.070152446002844}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.76368], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.515006, 0.0, 6.5226198998400005]}, {"abc": [0.0, 0.0, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 4.270519]}, {"abc": [0.5, 0.5, 0.23632], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.515006, 0.0, 2.01841810016]}, {"abc": [0.0, 0.0, 0.0], "label": "Cu", "properties": {"magmom": 0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2 2", "number": 65, "point_group": "mmm", "symbol": "Cmmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Zn8Cu5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.57292636\n_cell_length_b   7.57292573\n_cell_length_c   7.57292507\n_cell_angle_alpha   109.47122426\n_cell_angle_beta   109.47122258\n_cell_angle_gamma   109.47122415\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Zn8Cu5\n_chemical_formula_sum   'Zn16 Cu10'\n_cell_volume   334.32522991\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  Zn  Zn0  1  0.21897439  0.21897439  0.21897439  1.0\n  Zn  Zn1  1  1.00000000  0.78102561  1.00000000  1.0\n  Zn  Zn2  1  0.78102561  1.00000000  -0.00000000  1.0\n  Zn  Zn3  1  1.00000000  1.00000000  0.78102561  1.0\n  Zn  Zn4  1  0.34819530  0.34819530  0.62697352  1.0\n  Zn  Zn5  1  0.65180470  0.27877922  0.00000000  1.0\n  Zn  Zn6  1  0.27877922  0.65180470  1.00000000  1.0\n  Zn  Zn7  1  1.00000000  0.27877922  0.65180470  1.0\n  Zn  Zn8  1  0.37302648  0.72122078  0.72122078  1.0\n  Zn  Zn9  1  0.72122078  0.37302648  0.72122078  1.0\n  Zn  Zn10  1  0.27877922  1.00000000  0.65180470  1.0\n  Zn  Zn11  1  0.65180470  0.00000000  0.27877922  1.0\n  Zn  Zn12  1  0.00000000  0.65180470  0.27877922  1.0\n  Zn  Zn13  1  0.62697352  0.34819530  0.34819530  1.0\n  Zn  Zn14  1  0.34819530  0.62697352  0.34819530  1.0\n  Zn  Zn15  1  0.72122078  0.72122078  0.37302648  1.0\n  Cu  Cu16  1  0.65527215  0.65527215  0.65527215  1.0\n  Cu  Cu17  1  0.34472785  0.00000000  -0.00000000  1.0\n  Cu  Cu18  1  -0.00000000  0.34472785  -0.00000000  1.0\n  Cu  Cu19  1  0.00000000  -0.00000000  0.34472785  1.0\n  Cu  Cu20  1  0.64426490  0.00000000  0.64426490  1.0\n  Cu  Cu21  1  0.64426490  0.64426490  0.00000000  1.0\n  Cu  Cu22  1  0.35573510  0.35573510  1.00000000  1.0\n  Cu  Cu23  1  0.35573510  1.00000000  0.35573510  1.0\n  Cu  Cu24  1  1.00000000  0.35573510  0.35573510  1.0\n  Cu  Cu25  1  0.00000000  0.64426490  0.64426490  1.0\n", "composition": {"Cu": 10.0, "Zn": 16.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "Zn8Cu5", "identifiers": {"materials_project_id": "mp-1368"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.354240440778844, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.10845411461538472, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 334.3252299091512}, "record_id": "mp-1368", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.572926362440166, "alpha": 109.47122426157631, "b": 7.572925734049418, "beta": 109.471222580669, "c": 7.57292507, "gamma": 109.47122415215483, "matrix": [[7.13982336, -0.0, -2.52430903], [-3.56991218, 6.18326735, -2.52430903], [-0.0, -0.0, 7.57292507]], "pbc": [true, true, true], "volume": 334.3252299091512}, "properties": {}, "sites": [{"abc": [0.21897439, 0.21897439, 0.21897439], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.7817191229946803, 1.3539771961731666, 0.5527585876874739]}, {"abc": [1.0, 0.78102561, 1.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.351630521969071, 4.829290153826834, 3.077066040015742]}, {"abc": [0.78102561, 1.0, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.0064727150362502, 6.18326735, -4.495859029984258]}, {"abc": [1.0, 1.0, 0.78102561], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.56991118, 6.18326735, 0.8660303622810428]}, {"abc": [0.3481953, 0.3481953, 0.62697352], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2430262942934542, 2.152984629913455, 2.9901184078470284]}, {"abc": [0.6518047, 0.27877922, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.6585530902088923, 1.723766448884467, -2.3490813924287974]}, {"abc": [0.27877922, 0.6518047, 1.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.3364511502726668, 4.030282720086546, 5.223843677571203]}, {"abc": [1.0, 0.27877922, 0.6518047], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.1446060269911005, 1.723766448884467, 1.7080342209514723]}, {"abc": [0.37302648, 0.72122078, 0.72122078], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.08864832881147233, 4.4595009011155335, 2.6995326863961973]}, {"abc": [0.72122078, 0.37302648, 0.72122078], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.8177171983468945, 2.306522454469428, 2.6995326863961973]}, {"abc": [0.27877922, 1.0, 0.6518047], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.579477792761421, 6.18326735, 1.7080342209514723]}, {"abc": [0.6518047, 0.0, 0.27877922], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.653770423217792, 0.0, 0.4658176541266046]}, {"abc": [0.0, 0.6518047, 0.27877922], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-2.326885537511246, 4.030282720086546, 0.4658176541266046]}, {"abc": [0.62697352, 0.3481953, 0.3481953], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.2334535417086725, 2.152984629913455, 0.17522945852572613]}, {"abc": [0.3481953, 0.62697352, 0.3481953], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.24781253119673474, 3.876744895530572, 0.17522945852572613]}, {"abc": [0.72122078, 0.72122078, 0.37302648], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.5746941257703204, 4.4595009011155335, -0.8162666729894332]}, {"abc": [0.65527215, 0.65527215, 0.65527215], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.339263374227637, 4.0517228904593034, 1.654108081702772]}, {"abc": [0.34472785, 0.0, -0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.461295956272576, 0.0, -0.8701996246474855]}, {"abc": [-0.0, 0.34472785, -0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [-1.2306481505002131, 2.131544459540698, -0.8701996246474855]}, {"abc": [0.0, -0.0, 0.34472785], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 2.6105981775921996]}, {"abc": [0.6442649, 0.0, 0.6442649], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [4.599937583048065, 0.0, 3.252646108148996]}, {"abc": [0.6442649, 0.6442649, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [2.2999684693915823, 3.9836621209210152, -3.2526474095640943]}, {"abc": [0.3557351, 0.3557351, 1.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.2699427106084178, 2.199605229078985, 5.776954419564094]}, {"abc": [0.3557351, 1.0, 0.3557351], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [-1.0300264030480641, 6.18326735, -0.7283390981489957]}, {"abc": [1.0, 0.3557351, 0.3557351], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [5.8698802936564825, 2.199605229078985, -0.7283390981489957]}, {"abc": [0.0, 0.6442649, 0.6442649], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [-2.2999691136564824, 3.9836621209210152, 3.252646108148996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "I -4 2 3", "number": 217, "point_group": "-43m", "symbol": "I-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnCu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.92055392\n_cell_length_b   2.92055392\n_cell_length_c   2.92055392\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   ZnCu\n_chemical_formula_sum   'Zn1 Cu1'\n_cell_volume   24.91125952\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  Zn  Zn0  1  0.50000000  0.50000000  0.50000000  1.0\n  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Cu": 1.0, "Zn": 1.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "ZnCu", "identifiers": {"materials_project_id": "mp-987"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.59590481461026, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.09075502999999951, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 24.911259518441693}, "record_id": "mp-987", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.92055392, "alpha": 90.0, "b": 2.92055392, "beta": 90.0, "c": 2.92055392, "gamma": 90.0, "matrix": [[2.92055392, 0.0, -0.0], [-0.0, 2.92055392, 0.0], [0.0, 0.0, 2.92055392]], "pbc": [true, true, true], "volume": 24.911259518441693}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.46027696, 1.46027696, 1.46027696]}, {"abc": [0.0, 0.0, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 4 2 3", "number": 221, "point_group": "m-3m", "symbol": "Pm-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnCu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.59115508\n_cell_length_b   2.59115508\n_cell_length_c   4.14074600\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   109.90206392\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnCu\n_chemical_formula_sum   'Zn1 Cu1'\n_cell_volume   26.14090947\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  Zn  Zn0  1  0.50000000  0.50000000  0.50000000  1.0\n  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Cu": 1.0, "Zn": 1.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "ZnCu", "identifiers": {"materials_project_id": "mp-1215462"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.191559512922932, "energy_above_hull": 0.0383077949999997, "formation_energy_per_atom": -0.052447234999999814, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0008113, "volume": 26.140909468430443}, "record_id": "mp-1215462", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.591155082460716, "alpha": 90.0, "b": 2.591155082460716, "beta": 90.0, "c": 4.140746, "gamma": 109.90206392235491, "matrix": [[1.488039, -2.121279, 0.0], [1.488039, 2.121279, 0.0], [0.0, 0.0, 4.140746]], "pbc": [true, true, true], "volume": 26.140909468430443}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.488039, 0.0, 2.070373]}, {"abc": [0.0, 0.0, 0.0], "label": "Cu", "properties": {"magmom": 0.0}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2 2", "number": 65, "point_group": "mmm", "symbol": "Cmmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnCu\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.73838897\n_cell_length_b   2.73838897\n_cell_length_c   3.33688373\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   90.01783793\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnCu\n_chemical_formula_sum   'Zn1 Cu1'\n_cell_volume   25.02253633\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  Zn  Zn0  1  0.50000000  0.50000000  0.50000000  1.0\n  Cu  Cu1  1  0.00000000  -0.00000000  0.00000000  1.0\n", "composition": {"Cu": 1.0, "Zn": 1.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "ZnCu", "identifiers": {"materials_project_id": "mp-2034504"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.55767827858969, "energy_above_hull": 0.0027784300000011086, "formation_energy_per_atom": -0.0879765999999984, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1e-07, "volume": 25.022536330714708}, "record_id": "mp-2034504", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.7383889745917793, "alpha": 90.0, "b": 2.7383889745917793, "beta": 90.0, "c": 3.33688373, "gamma": 90.01783793411872, "matrix": [[1.93603197, -1.93663481, 0.0], [1.93603197, 1.93663481, 0.0], [0.0, 0.0, 3.33688373]], "pbc": [true, true, true], "volume": 25.022536330714708}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.93603197, 0.0, 1.668441865]}, {"abc": [0.0, -0.0, 0.0], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2", "number": 123, "point_group": "4/mmm", "symbol": "P4/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnCu2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.58382560\n_cell_length_b   2.58382560\n_cell_length_c   6.29337380\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000064\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnCu2\n_chemical_formula_sum   'Zn1 Cu2'\n_cell_volume   36.38652253\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  Zn  Zn0  1  0.00000000  0.00000000  0.00000000  1.0\n  Cu  Cu1  1  0.33333300  0.66666700  0.66214149  1.0\n  Cu  Cu2  1  0.66666700  0.33333300  0.33785851  1.0\n", "composition": {"Cu": 2.0, "Zn": 1.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "ZnCu2", "identifiers": {"materials_project_id": "mp-1215401"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.784995351117358, "energy_above_hull": 0.027615473333333806, "formation_energy_per_atom": -0.03288787999999935, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 36.38652253418803}, "record_id": "mp-1215401", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.5838256049172297, "alpha": 90.0, "b": 2.5838256049172297, "beta": 90.0, "c": 6.2933738, "gamma": 120.00000063801157, "matrix": [[1.29191279, -2.23765862, -0.0], [1.29191279, 2.23765862, 0.0], [-0.0, -0.0, 6.2933738]], "pbc": [true, true, true], "volume": 36.38652253418803}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.66214149], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.29191279, 0.7458876984390801, 4.167103905058962]}, {"abc": [0.666667, 0.333333, 0.33785851], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.29191279, -0.7458876984390801, 2.126269894941038]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-P 3 2\"", "number": 164, "point_group": "-3m", "symbol": "P-3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnCu3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.56145984\n_cell_length_b   2.56145984\n_cell_length_c   8.39758655\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001399\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnCu3\n_chemical_formula_sum   'Zn1 Cu3'\n_cell_volume   47.71557503\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  Zn  Zn0  1  0.66666700  0.33333300  -0.00000000  1.0\n  Cu  Cu1  1  0.66666700  0.33333300  0.50000000  1.0\n  Cu  Cu2  1  0.33333300  0.66666700  0.25407253  1.0\n  Cu  Cu3  1  0.33333300  0.66666700  0.74592747  1.0\n", "composition": {"Cu": 3.0, "Zn": 1.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "ZnCu3", "identifiers": {"materials_project_id": "mp-1215518"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.910634457021494, "energy_above_hull": 0.02395035000000023, "formation_energy_per_atom": -0.021427164999999526, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 47.71557502785052}, "record_id": "mp-1215518", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.5614598416470296, "alpha": 90.0, "b": 2.5614598416470296, "beta": 90.0, "c": 8.39758655, "gamma": 120.00001399009939, "matrix": [[1.28072965, -2.21828945, -0.0], [1.28072965, 2.21828945, -0.0], [0.0, 0.0, 8.39758655]], "pbc": [true, true, true], "volume": 47.71557502785052}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.28072965, -0.7394312955263, 0.0]}, {"abc": [0.666667, 0.333333, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.28072965, -0.7394312955263, 4.198793275]}, {"abc": [0.333333, 0.666667, 0.25407253], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.28072965, 0.7394312955263, 2.1335960606524718]}, {"abc": [0.333333, 0.666667, 0.74592747], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [1.28072965, 0.7394312955263, 6.2639904893475284]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 2", "number": 187, "point_group": "-6m2", "symbol": "P-6m2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_ZnCu3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.50771080\n_cell_length_b   8.50771080\n_cell_length_c   8.50771030\n_cell_angle_alpha   17.35305513\n_cell_angle_beta   17.35305513\n_cell_angle_gamma   17.35305670\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   ZnCu3\n_chemical_formula_sum   'Zn1 Cu3'\n_cell_volume   47.80376351\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  Zn  Zn0  1  -0.00000000  -0.00000000  0.00000000  1.0\n  Cu  Cu1  1  0.24849652  0.24849652  0.24849652  1.0\n  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0\n  Cu  Cu3  1  0.75150348  0.75150348  0.75150348  1.0\n", "composition": {"Cu": 3.0, "Zn": 1.0}, "description": "", "elements": ["Cu", "Zn"], "formula": "ZnCu3", "identifiers": {"materials_project_id": "mp-1215529"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.894196099442645, "energy_above_hull": 0.02499069750000027, "formation_energy_per_atom": -0.020386817499999488, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 47.8037635134223}, "record_id": "mp-1215529", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.507710804428617, "alpha": 17.353055125965003, "b": 8.507710804428617, "beta": 17.353055125965003, "c": 8.507710297242431, "gamma": 17.353056695705995, "matrix": [[8.41032421, -1.28343806, 0.01940517], [8.41032421, 1.28343806, 0.01940517], [8.20935961, 0.0, 2.23328218]], "pbc": [true, true, true], "volume": 47.8037635134223}, "properties": {}, "sites": [{"abc": [-0.0, -0.0, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.24849652, 0.24849652, 0.24849652], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [6.219869891027056, 0.0, 0.5646070843380304]}, {"abc": [0.5, 0.5, 0.5], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [12.515004015, 0.0, 1.1360462599999999]}, {"abc": [0.75150348, 0.75150348, 0.75150348], "label": "Cu", "properties": {}, "species": [{"element": "Cu", "occu": 1.0}], "xyz": [18.810138138972945, 0.0, 1.7074854356619695]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-R 3 2\"", "number": 166, "point_group": "-3m", "symbol": "R-3m", "symprec": 0.1, "version": "2.7.0"}}}