raw/materials_project/materials_project-part-181.jsonl

{"cif": "# generated using pymatgen\ndata_Mg149Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   15.96150659\n_cell_length_b   15.96151213\n_cell_length_c   15.63120047\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001372\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg149Zn\n_chemical_formula_sum   'Mg149 Zn1'\n_cell_volume   3448.82230394\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  Mg  Mg0  1  0.19706758  0.00095252  -0.00000000  1.0\n  Mg  Mg1  1  0.80388494  0.00095252  -0.00000000  1.0\n  Mg  Mg2  1  0.19706758  0.19611506  -0.00000000  1.0\n  Mg  Mg3  1  0.99904748  0.19611506  -0.00000000  1.0\n  Mg  Mg4  1  0.39904439  0.19952270  -0.00000000  1.0\n  Mg  Mg5  1  0.80047730  0.19952270  -0.00000000  1.0\n  Mg  Mg6  1  0.59985769  0.19971639  -0.00000000  1.0\n  Mg  Mg7  1  0.19916515  0.39833129  -0.00000000  1.0\n  Mg  Mg8  1  0.39933011  0.39938516  -0.00000000  1.0\n  Mg  Mg9  1  0.00005505  0.39938516  -0.00000000  1.0\n  Mg  Mg10  1  0.59985769  0.40014131  -0.00000000  1.0\n  Mg  Mg11  1  0.80028361  0.40014131  -0.00000000  1.0\n  Mg  Mg12  1  0.19981130  0.59990565  -0.00000000  1.0\n  Mg  Mg13  1  0.40009435  0.59990565  -0.00000000  1.0\n  Mg  Mg14  1  0.60061484  0.60066889  -0.00000000  1.0\n  Mg  Mg15  1  0.00005505  0.60066989  -0.00000000  1.0\n  Mg  Mg16  1  0.80047730  0.60095561  -0.00000000  1.0\n  Mg  Mg17  1  0.40009435  0.80018870  -0.00000000  1.0\n  Mg  Mg18  1  0.19916515  0.80083385  -0.00000000  1.0\n  Mg  Mg19  1  0.60166871  0.80083385  -0.00000000  1.0\n  Mg  Mg20  1  0.80388494  0.80293242  -0.00000000  1.0\n  Mg  Mg21  1  0.99904748  0.80293242  -0.00000000  1.0\n  Mg  Mg22  1  0.60061484  0.99994595  -0.00000000  1.0\n  Mg  Mg23  1  0.39933011  0.99994595  -0.00000000  1.0\n  Mg  Mg24  1  0.06547307  0.13094515  0.16379022  1.0\n  Mg  Mg25  1  0.06547307  0.93452693  0.16379022  1.0\n  Mg  Mg26  1  0.86905485  0.93452693  0.16379022  1.0\n  Mg  Mg27  1  0.06622802  0.33220557  0.16607900  1.0\n  Mg  Mg28  1  0.26597755  0.33220557  0.16607900  1.0\n  Mg  Mg29  1  0.66779443  0.73402245  0.16607900  1.0\n  Mg  Mg30  1  0.06622802  0.73402245  0.16607900  1.0\n  Mg  Mg31  1  0.66779443  0.93377198  0.16607900  1.0\n  Mg  Mg32  1  0.26597755  0.93377198  0.16607900  1.0\n  Mg  Mg33  1  0.26643863  0.53287826  0.16639968  1.0\n  Mg  Mg34  1  0.26643863  0.73356037  0.16639968  1.0\n  Mg  Mg35  1  0.46712174  0.73356137  0.16639968  1.0\n  Mg  Mg36  1  0.46668943  0.53330957  0.16637816  1.0\n  Mg  Mg37  1  0.06662014  0.53331057  0.16637816  1.0\n  Mg  Mg38  1  0.46668943  0.93337886  0.16637816  1.0\n  Mg  Mg39  1  0.66666700  0.33333300  0.16658001  1.0\n  Mg  Mg40  1  0.46675062  0.13332462  0.16651790  1.0\n  Mg  Mg41  1  0.66657400  0.13332462  0.16651790  1.0\n  Mg  Mg42  1  0.46675062  0.33342600  0.16651790  1.0\n  Mg  Mg43  1  0.86667538  0.33342600  0.16651790  1.0\n  Mg  Mg44  1  0.66657400  0.53324938  0.16651790  1.0\n  Mg  Mg45  1  0.86667538  0.53324938  0.16651790  1.0\n  Mg  Mg46  1  0.26725067  0.13362583  0.16702748  1.0\n  Mg  Mg47  1  0.86637517  0.13362583  0.16702748  1.0\n  Mg  Mg48  1  0.86637517  0.73274933  0.16702748  1.0\n  Mg  Mg49  1  0.00000000  -0.00000000  0.33223049  1.0\n  Mg  Mg50  1  0.80043241  0.99981884  0.33291602  1.0\n  Mg  Mg51  1  0.19938643  0.99981984  0.33291602  1.0\n  Mg  Mg52  1  0.00018016  0.19956759  0.33291602  1.0\n  Mg  Mg53  1  0.19938643  0.19956759  0.33291602  1.0\n  Mg  Mg54  1  0.80043241  0.80061257  0.33291602  1.0\n  Mg  Mg55  1  0.00018016  0.80061357  0.33291602  1.0\n  Mg  Mg56  1  0.60025076  0.99993163  0.33304444  1.0\n  Mg  Mg57  1  0.39967987  0.99993163  0.33304444  1.0\n  Mg  Mg58  1  0.00006937  0.39974824  0.33304444  1.0\n  Mg  Mg59  1  0.39967987  0.39974824  0.33304444  1.0\n  Mg  Mg60  1  0.00006937  0.60032013  0.33304444  1.0\n  Mg  Mg61  1  0.60025076  0.60032013  0.33304444  1.0\n  Mg  Mg62  1  0.19988910  0.39977819  0.33302182  1.0\n  Mg  Mg63  1  0.60022081  0.80011090  0.33302182  1.0\n  Mg  Mg64  1  0.19988910  0.80011090  0.33302182  1.0\n  Mg  Mg65  1  0.59997712  0.19995423  0.33317660  1.0\n  Mg  Mg66  1  0.59997712  0.40002288  0.33317660  1.0\n  Mg  Mg67  1  0.80004577  0.40002288  0.33317660  1.0\n  Mg  Mg68  1  0.20001353  0.60000676  0.33319480  1.0\n  Mg  Mg69  1  0.39999324  0.60000676  0.33319480  1.0\n  Mg  Mg70  1  0.39999324  0.79998547  0.33319480  1.0\n  Mg  Mg71  1  0.80009057  0.19990843  0.33338168  1.0\n  Mg  Mg72  1  0.39981886  0.19990943  0.33338168  1.0\n  Mg  Mg73  1  0.80009057  0.60018214  0.33338168  1.0\n  Mg  Mg74  1  0.06649854  0.13299709  0.50000000  1.0\n  Mg  Mg75  1  0.86680371  0.13319629  0.50000000  1.0\n  Mg  Mg76  1  0.26639258  0.13319629  0.50000000  1.0\n  Mg  Mg77  1  0.66659184  0.13326021  0.50000000  1.0\n  Mg  Mg78  1  0.46666937  0.13326121  0.50000000  1.0\n  Mg  Mg79  1  0.06640264  0.33297216  0.50000000  1.0\n  Mg  Mg80  1  0.26656952  0.33297216  0.50000000  1.0\n  Mg  Mg81  1  0.66666700  0.33333300  0.50000000  1.0\n  Mg  Mg82  1  0.86673879  0.33340816  0.50000000  1.0\n  Mg  Mg83  1  0.46666937  0.33340816  0.50000000  1.0\n  Mg  Mg84  1  0.26652607  0.53305314  0.50000000  1.0\n  Mg  Mg85  1  0.46677292  0.53322708  0.50000000  1.0\n  Mg  Mg86  1  0.06645416  0.53322708  0.50000000  1.0\n  Mg  Mg87  1  0.86673879  0.53333163  0.50000000  1.0\n  Mg  Mg88  1  0.66659184  0.53333163  0.50000000  1.0\n  Mg  Mg89  1  0.26652607  0.73347393  0.50000000  1.0\n  Mg  Mg90  1  0.46694686  0.73347393  0.50000000  1.0\n  Mg  Mg91  1  0.06640264  0.73343048  0.50000000  1.0\n  Mg  Mg92  1  0.66702784  0.73343048  0.50000000  1.0\n  Mg  Mg93  1  0.86680371  0.73360742  0.50000000  1.0\n  Mg  Mg94  1  0.06649854  0.93350146  0.50000000  1.0\n  Mg  Mg95  1  0.86700291  0.93350146  0.50000000  1.0\n  Mg  Mg96  1  0.46677292  0.93354584  0.50000000  1.0\n  Mg  Mg97  1  0.26656952  0.93359736  0.50000000  1.0\n  Mg  Mg98  1  0.66702784  0.93359736  0.50000000  1.0\n  Mg  Mg99  1  0.80009057  0.19990843  0.66661732  1.0\n  Mg  Mg100  1  0.39981886  0.19990943  0.66661732  1.0\n  Mg  Mg101  1  0.80009057  0.60018214  0.66661732  1.0\n  Mg  Mg102  1  0.20001353  0.60000676  0.66680520  1.0\n  Mg  Mg103  1  0.39999324  0.60000676  0.66680520  1.0\n  Mg  Mg104  1  0.39999324  0.79998547  0.66680520  1.0\n  Mg  Mg105  1  0.59997712  0.19995423  0.66682340  1.0\n  Mg  Mg106  1  0.59997712  0.40002288  0.66682340  1.0\n  Mg  Mg107  1  0.80004577  0.40002288  0.66682340  1.0\n  Mg  Mg108  1  0.19988910  0.39977819  0.66697818  1.0\n  Mg  Mg109  1  0.60022081  0.80011090  0.66697818  1.0\n  Mg  Mg110  1  0.19988910  0.80011090  0.66697818  1.0\n  Mg  Mg111  1  0.60025076  0.99993163  0.66695556  1.0\n  Mg  Mg112  1  0.39967987  0.99993163  0.66695556  1.0\n  Mg  Mg113  1  0.00006937  0.39974824  0.66695556  1.0\n  Mg  Mg114  1  0.39967987  0.39974824  0.66695556  1.0\n  Mg  Mg115  1  0.00006937  0.60032013  0.66695556  1.0\n  Mg  Mg116  1  0.60025076  0.60032013  0.66695556  1.0\n  Mg  Mg117  1  0.80043241  0.99981884  0.66708398  1.0\n  Mg  Mg118  1  0.19938643  0.99981984  0.66708398  1.0\n  Mg  Mg119  1  0.00018016  0.19956759  0.66708398  1.0\n  Mg  Mg120  1  0.19938643  0.19956759  0.66708398  1.0\n  Mg  Mg121  1  0.80043241  0.80061257  0.66708398  1.0\n  Mg  Mg122  1  0.00018016  0.80061357  0.66708398  1.0\n  Mg  Mg123  1  0.00000000  -0.00000000  0.66776851  1.0\n  Mg  Mg124  1  0.26725067  0.13362583  0.83297252  1.0\n  Mg  Mg125  1  0.86637517  0.13362583  0.83297252  1.0\n  Mg  Mg126  1  0.86637517  0.73274933  0.83297252  1.0\n  Mg  Mg127  1  0.46675062  0.13332462  0.83348210  1.0\n  Mg  Mg128  1  0.66657400  0.13332462  0.83348210  1.0\n  Mg  Mg129  1  0.46675062  0.33342600  0.83348210  1.0\n  Mg  Mg130  1  0.86667538  0.33342600  0.83348210  1.0\n  Mg  Mg131  1  0.66657400  0.53324938  0.83348210  1.0\n  Mg  Mg132  1  0.86667538  0.53324938  0.83348210  1.0\n  Mg  Mg133  1  0.66666700  0.33333300  0.83341999  1.0\n  Mg  Mg134  1  0.46668943  0.53330957  0.83362184  1.0\n  Mg  Mg135  1  0.06662014  0.53331057  0.83362184  1.0\n  Mg  Mg136  1  0.46668943  0.93337886  0.83362184  1.0\n  Mg  Mg137  1  0.26643863  0.53287826  0.83360032  1.0\n  Mg  Mg138  1  0.26643863  0.73356037  0.83360032  1.0\n  Mg  Mg139  1  0.46712174  0.73356137  0.83360032  1.0\n  Mg  Mg140  1  0.06622802  0.33220557  0.83392000  1.0\n  Mg  Mg141  1  0.26597755  0.33220557  0.83392000  1.0\n  Mg  Mg142  1  0.66779443  0.73402245  0.83392000  1.0\n  Mg  Mg143  1  0.06622802  0.73402245  0.83392000  1.0\n  Mg  Mg144  1  0.66779443  0.93377198  0.83392000  1.0\n  Mg  Mg145  1  0.26597755  0.93377198  0.83392000  1.0\n  Mg  Mg146  1  0.06547307  0.13094515  0.83620978  1.0\n  Mg  Mg147  1  0.06547307  0.93452693  0.83620978  1.0\n  Mg  Mg148  1  0.86905485  0.93452693  0.83620978  1.0\n  Zn  Zn149  1  0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Mg": 149.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg149Zn", "identifiers": {"materials_project_id": "mp-1185642"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.5779999999999998, "density": 1.7751465772576533, "energy_above_hull": 0.003682251364000022, "formation_energy_per_atom": 0.002265531566666823, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0001002, "volume": 3448.822303937201}, "record_id": "mp-1185642", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 15.961506592387574, "alpha": 90.0, "b": 15.96151213, "beta": 90.0, "c": 15.63120047, "gamma": 120.00001372441845, "matrix": [[13.82306829, -7.98075659, -0.0], [-2e-08, 15.96151213, 0.0], [0.0, -0.0, 15.63120047]], "pbc": [true, true, true], "volume": 3448.822303937201}, "properties": {}, "sites": [{"abc": [0.19706758, 0.00095252, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.7240786160659876, -1.5575447282262846, 0.0]}, {"abc": [0.80388494, 0.00095252, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.112156422903503, -6.400406372972687, 0.0]}, {"abc": [0.19706758, 0.19611506, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.724078612162737, 1.5575445213053254, 0.0]}, {"abc": [0.99904748, 0.19611506, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [13.80990153707011, -4.842861850667216, 0.0]}, {"abc": [0.39904439, 0.1995227, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.51601784972094, 7.851065320529926e-06, 0.0]}, {"abc": [0.8004773, 0.1995227, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.065052378504362, -3.2037304908600563, 0.0]}, {"abc": [0.59985769, 0.19971639, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [8.291873809157321, -1.599542630984867, 0.0]}, {"abc": [0.19916515, 0.39833129, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.7530734614714683, 4.768481133732709, 0.0]}, {"abc": [0.39933011, 0.39938516, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.519967372795509, 3.1878346689140655, 0.0]}, {"abc": [5.505e-05, 0.39938516, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0007609519216613, 6.374351735231711, 0.0]}, {"abc": [0.59985769, 0.40014131, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [8.291873805148823, 1.5995421607494125, 0.0]}, {"abc": [0.80028361, 0.40014131, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.0623749843949, -8.321097400454391e-06, 0.0]}, {"abc": [0.1998113, 0.59990565, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.762005233015564, 7.980755960099067, 0.0]}, {"abc": [0.40009435, 0.59990565, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.530531510495049, 6.382345688946268, 0.0]}, {"abc": [0.60061484, 0.60066889, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [8.302339937294047, 4.79422293146684, 0.0]}, {"abc": [5.505e-05, 0.60066989, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0007609478959667, 9.587160394710486, 0.0]}, {"abc": [0.8004773, 0.60095561, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.065052370475703, 3.2037457714861404, 0.0]}, {"abc": [0.40009435, 0.8001887, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.530531506489387, 9.579166020954665, 0.0]}, {"abc": [0.19916515, 0.80083385, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.753073453421417, 11.193030627528762, 0.0]}, {"abc": [0.60166871, 0.80083385, -0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [8.316907650269528, 7.9807476885603, 0.0]}, {"abc": 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10.425316062941112]}, {"abc": [0.39967987, 0.39974824, 0.66695556], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.5248021291533576, 3.1908386253133068, 10.425316062941112]}, {"abc": [6.937e-05, 0.60032013, 0.66695556], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0009588942408746999, 9.581463411793527, 10.425316062941112]}, {"abc": [0.60025076, 0.60032013, 0.66695556], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [8.297307234597998, 4.791561828355667, 10.425316062941112]}, {"abc": [0.80043241, 0.99981884, 0.66708398], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.064431844962902, 9.570564311505446, 10.42732342170547]}, {"abc": [0.19938643, 0.99981984, 0.66708398], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.7561322179929078, 14.367381938795583, 10.42732342170547]}, {"abc": [0.00018016, 0.19956759, 0.66708398], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0024903599917746, 3.1839626954326117, 10.42732342170547]}, {"abc": [0.19938643, 0.19956759, 0.66708398], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.756132233997953, 1.5941459433607925, 10.42732342170547]}, {"abc": [0.80043241, 0.80061257, 0.66708398], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.064431848947027, 6.390931016528391, 10.42732342170547]}, {"abc": [0.00018016, 0.80061357, 0.66708398], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.002490347970855, 12.777565395890349, 10.42732342170547]}, {"abc": [0.0, -0.0, 0.66776851], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 10.4380234473632]}, {"abc": [0.26725067, 0.13362583, 0.83297252], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.6942242592857384, 7.760641901999321e-06, 13.020360446121083]}, {"abc": [0.86637517, 0.13362583, 0.83297252], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.975963136997843, -4.7814590409635525, 13.020360446121083]}, {"abc": [0.86637517, 0.73274933, 0.83297252], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.975963125015372, 4.781457971654502, 13.020360446121083]}, {"abc": [0.46675062, 0.13332462, 0.8334821], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.451925691993347, -1.5969605470939454, 13.028325793256586]}, {"abc": [0.666574, 0.13332462, 0.8334821], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [9.214097919671968, -3.191702303865019, 13.028325793256586]}, {"abc": [0.46675062, 0.333426, 0.8334821], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.45192568799132, 1.5969600570057936, 13.028325793256586]}, {"abc": [0.86667538, 0.333426, 0.8334821], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.98011295633318, -1.5947421068683747, 13.028325793256586]}, {"abc": [0.666574, 0.53324938, 0.8334821], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [9.214097911673473, 3.1917016039623194, 13.028325793256586]}, {"abc": [0.86667538, 0.53324938, 0.8334821], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [11.980112952336713, 1.5947411968592249, 13.028325793256586]}, {"abc": [0.666667, 0.333333, 0.83341999], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [9.21538346102277, -8.330756240404469e-06, 13.027354939395394]}, {"abc": [0.46668943, 0.53330957, 0.83362184], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.451079850444984, 4.78789242664424, 13.030510097210264]}, {"abc": [0.06662014, 0.53331057, 0.83362184], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9208947340431491, 7.980764010780491, 13.030510097210264]}, {"abc": [0.46668943, 0.93337886, 0.83362184], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.4510798424435984, 11.173603251819728, 13.030510097210264]}, {"abc": [0.26643863, 0.53287826, 0.83360032], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.682999366926478, 6.379160958600223, 13.030173713776149]}, {"abc": [0.26643863, 0.73356037, 0.83360032], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.6829993629128355, 9.582350891639216, 13.030173713776149]}, {"abc": [0.46712174, 0.73356137, 0.83360032], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.457055697092397, 7.98076380051715, 13.030173713776149]}, {"abc": [0.06622802, 0.33220557, 0.83392], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9154744365273744, 4.773953528150912, 13.0351706959424]}, {"abc": [0.26597755, 0.33220557, 0.83392], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.676625830612778, 3.1798011502540087, 13.0351706959424]}, {"abc": [0.66779443, 0.73402245, 0.83392], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [9.230967994891177, 6.386603441379523, 13.0351706959424]}, {"abc": [0.06622802, 0.73402245, 0.83392], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9154744284910368, 11.187558532309666, 13.0351706959424]}, {"abc": [0.66779443, 0.93377198, 0.83392], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [9.230967990896186, 9.574907987436323, 13.0351706959424]}, {"abc": [0.26597755, 0.93377198, 0.83392], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.67662581858145, 12.78171070046956, 13.0351706959424]}, {"abc": [0.06547307, 0.13094515, 0.83620978], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9050387151470473, 1.5675579652196383, 13.070962706154596]}, {"abc": [0.06547307, 0.93452693, 0.83620978], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9050386990754117, 14.393938294136628, 13.070962706154596]}, {"abc": [0.86905485, 0.93452693, 0.83620978], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [12.01300452061517, 7.980747707797697, 13.070962706154596]}, {"abc": [0.0, -0.0, -0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "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_Mg15Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.30594217\n_cell_length_b   6.30594217\n_cell_length_c   10.09716830\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999231\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg15Zn\n_chemical_formula_sum   'Mg15 Zn1'\n_cell_volume   347.72044551\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  Mg  Mg0  1  0.00000000  -0.00000000  0.50000000  1.0\n  Mg  Mg1  1  0.49872666  0.99745332  0.00000000  1.0\n  Mg  Mg2  1  0.50091661  0.00183422  0.50000000  1.0\n  Mg  Mg3  1  0.49872666  0.50127334  0.00000000  1.0\n  Mg  Mg4  1  0.50091661  0.49908339  0.50000000  1.0\n  Mg  Mg5  1  0.00254668  0.50127334  0.00000000  1.0\n  Mg  Mg6  1  0.99816578  0.49908339  0.50000000  1.0\n  Mg  Mg7  1  0.33047142  0.16523521  0.24302542  1.0\n  Mg  Mg8  1  0.33047142  0.16523521  0.75697458  1.0\n  Mg  Mg9  1  0.83476479  0.16523521  0.24302542  1.0\n  Mg  Mg10  1  0.83476479  0.16523521  0.75697458  1.0\n  Mg  Mg11  1  0.83476479  0.66952858  0.24302542  1.0\n  Mg  Mg12  1  0.83476479  0.66952858  0.75697458  1.0\n  Mg  Mg13  1  0.33333300  0.66666700  0.25223784  1.0\n  Mg  Mg14  1  0.33333300  0.66666700  0.74776216  1.0\n  Zn  Zn15  1  0.00000000  -0.00000000  0.00000000  1.0\n", "composition": {"Mg": 15.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg15Zn", "identifiers": {"materials_project_id": "mp-1023616"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.0533886926276397, "energy_above_hull": 0.04593213716250033, "formation_energy_per_atom": 0.032650389062500285, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 347.7204455123462}, "record_id": "mp-1023616", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.305942167157094, "alpha": 90.0, "b": 6.305942167157094, "beta": 90.0, "c": 10.0971683, "gamma": 119.99999231130005, "matrix": [[3.15297145, -5.4611059, -0.0], [3.15297145, 5.4611059, 0.0], [0.0, 0.0, 10.0971683]], "pbc": [true, true, true], "volume": 347.7204455123462}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 5.04858415]}, {"abc": [0.49872666, 0.99745332, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.717412761001571, 2.7235991054132938, 0.0]}, {"abc": [0.50091661, 0.00183422, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5851590134538034, -2.7255417846151007, 5.04858415]}, {"abc": [0.49872666, 0.50127334, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.15297145, 0.01390768917341223, 0.0]}, {"abc": [0.50091661, 0.49908339, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.15297145, -0.010011408557997648, 5.04858415]}, {"abc": [0.00254668, 0.50127334, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.588530138998429, 2.723599105413294, 0.0]}, {"abc": [0.99816578, 0.49908339, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.720783886546196, -2.725541784615101, 5.04858415]}, {"abc": [0.33047142, 0.16523521, 0.24302542], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5629488519657135, -0.9023724413246391, 2.4538685669181857]}, {"abc": [0.33047142, 0.16523521, 0.75697458], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5629488519657135, -0.9023724413246391, 7.643299733081814]}, {"abc": [0.83476479, 0.16523521, 0.24302542], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.1529714500000003, -3.656371939562522, 2.4538685669181857]}, {"abc": [0.83476479, 0.16523521, 0.75697458], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.1529714500000003, -3.656371939562522, 7.643299733081814]}, {"abc": [0.83476479, 0.66952858, 0.24302542], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.742994048034287, -0.9023724413246388, 2.4538685669181857]}, {"abc": [0.83476479, 0.66952858, 0.75697458], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.742994048034287, -0.9023724413246388, 7.643299733081814]}, {"abc": [0.333333, 0.666667, 0.25223784], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.15297145, 1.8203722740705999, 2.5468879221084717]}, {"abc": [0.333333, 0.666667, 0.74776216], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.15297145, 1.8203722740705999, 7.550280377891528]}, {"abc": [0.0, -0.0, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "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_Mg21Zn25\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   15.04242842\n_cell_length_b   15.04242874\n_cell_length_c   15.04242855\n_cell_angle_alpha   116.40747498\n_cell_angle_beta   116.40747556\n_cell_angle_gamma   116.40747560\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg21Zn25\n_chemical_formula_sum   'Mg42 Zn50'\n_cell_volume   1634.63319926\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  Mg  Mg0  1  0.55719738  0.25000000  0.94280262  1.0\n  Mg  Mg1  1  0.43686365  0.95494517  0.85876590  1.0\n  Mg  Mg2  1  0.04505483  0.14123410  0.56313635  1.0\n  Mg  Mg3  1  0.56529080  0.68133156  0.44786649  1.0\n  Mg  Mg4  1  0.25000000  0.94280262  0.55719738  1.0\n  Mg  Mg5  1  0.64123410  0.54505483  0.06313635  1.0\n  Mg  Mg6  1  0.44280262  0.75000000  0.05719738  1.0\n  Mg  Mg7  1  0.72359925  0.18382319  0.95173193  1.0\n  Mg  Mg8  1  0.04826807  0.27640075  0.81617681  1.0\n  Mg  Mg9  1  0.68133156  0.44786649  0.56529080  1.0\n  Mg  Mg10  1  0.85876590  0.43686365  0.95494517  1.0\n  Mg  Mg11  1  0.93686365  0.35876590  0.45494517  1.0\n  Mg  Mg12  1  0.94786649  0.18133156  0.06529080  1.0\n  Mg  Mg13  1  0.27640075  0.81617681  0.04826807  1.0\n  Mg  Mg14  1  0.75000000  0.05719738  0.44280262  1.0\n  Mg  Mg15  1  0.35876590  0.45494517  0.93686365  1.0\n  Mg  Mg16  1  0.06313635  0.64123410  0.54505483  1.0\n  Mg  Mg17  1  0.45494517  0.93686365  0.35876590  1.0\n  Mg  Mg18  1  0.22359925  0.45173193  0.68382319  1.0\n  Mg  Mg19  1  0.05213351  0.81866844  0.93470920  1.0\n  Mg  Mg20  1  0.18382319  0.95173193  0.72359925  1.0\n  Mg  Mg21  1  0.95494517  0.85876590  0.43686365  1.0\n  Mg  Mg22  1  0.31866844  0.55213351  0.43470920  1.0\n  Mg  Mg23  1  0.55213351  0.43470920  0.31866844  1.0\n  Mg  Mg24  1  0.68382319  0.22359925  0.45173193  1.0\n  Mg  Mg25  1  0.05719738  0.44280262  0.75000000  1.0\n  Mg  Mg26  1  0.31617681  0.77640075  0.54826807  1.0\n  Mg  Mg27  1  0.95173193  0.72359925  0.18382319  1.0\n  Mg  Mg28  1  0.94280262  0.55719738  0.25000000  1.0\n  Mg  Mg29  1  0.45173193  0.68382319  0.22359925  1.0\n  Mg  Mg30  1  0.81866844  0.93470920  0.05213351  1.0\n  Mg  Mg31  1  0.14123410  0.56313635  0.04505483  1.0\n  Mg  Mg32  1  0.93470920  0.05213351  0.81866844  1.0\n  Mg  Mg33  1  0.18133156  0.06529080  0.94786649  1.0\n  Mg  Mg34  1  0.56313635  0.04505483  0.14123410  1.0\n  Mg  Mg35  1  0.06529080  0.94786649  0.18133156  1.0\n  Mg  Mg36  1  0.81617681  0.04826807  0.27640075  1.0\n  Mg  Mg37  1  0.54826807  0.31617681  0.77640075  1.0\n  Mg  Mg38  1  0.77640075  0.54826807  0.31617681  1.0\n  Mg  Mg39  1  0.54505483  0.06313635  0.64123410  1.0\n  Mg  Mg40  1  0.44786649  0.56529080  0.68133156  1.0\n  Mg  Mg41  1  0.43470920  0.31866844  0.55213351  1.0\n  Zn  Zn42  1  0.51915086  0.81091894  0.92771495  1.0\n  Zn  Zn43  1  0.19191743  0.75000000  0.30808257  1.0\n  Zn  Zn44  1  0.26398016  0.61925199  0.61897651  1.0\n  Zn  Zn45  1  0.88074801  0.23601984  0.88102349  1.0\n  Zn  Zn46  1  0.07228505  0.48084914  0.18908106  1.0\n  Zn  Zn47  1  0.87287914  0.80859749  0.57146673  1.0\n  Zn  Zn48  1  0.31079127  0.18920873  0.25000000  1.0\n  Zn  Zn49  1  0.42771495  0.31091894  0.01915086  1.0\n  Zn  Zn50  1  0.38074801  0.38102349  0.73601984  1.0\n  Zn  Zn51  1  0.68908106  0.98084914  0.57228505  1.0\n  Zn  Zn52  1  0.98084914  0.57228505  0.68908106  1.0\n  Zn  Zn53  1  0.18920873  0.25000000  0.31079127  1.0\n  Zn  Zn54  1  0.57146673  0.87287914  0.80859749  1.0\n  Zn  Zn55  1  0.38102349  0.73601984  0.38074801  1.0\n  Zn  Zn56  1  0.61925199  0.61897651  0.26398016  1.0\n  Zn  Zn57  1  0.80808257  0.25000000  0.69191743  1.0\n  Zn  Zn58  1  0.30808257  0.19191743  0.75000000  1.0\n  Zn  Zn59  1  0.31091894  0.01915086  0.42771495  1.0\n  Zn  Zn60  1  0.92853327  0.69140251  0.62712086  1.0\n  Zn  Zn61  1  0.01915086  0.42771495  0.31091894  1.0\n  Zn  Zn62  1  0.68920873  0.81079127  0.75000000  1.0\n  Zn  Zn63  1  0.69140251  0.62712086  0.92853327  1.0\n  Zn  Zn64  1  0.18908106  0.07228505  0.48084914  1.0\n  Zn  Zn65  1  0.23601984  0.88102349  0.88074801  1.0\n  Zn  Zn66  1  0.25000000  0.31079127  0.18920873  1.0\n  Zn  Zn67  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn68  1  0.75000000  0.30808257  0.19191743  1.0\n  Zn  Zn69  1  0.37287914  0.07146673  0.30859749  1.0\n  Zn  Zn70  1  0.30859749  0.37287914  0.07146673  1.0\n  Zn  Zn71  1  0.62712086  0.92853327  0.69140251  1.0\n  Zn  Zn72  1  0.81079127  0.75000000  0.68920873  1.0\n  Zn  Zn73  1  0.19140251  0.42853327  0.12712086  1.0\n  Zn  Zn74  1  0.61897651  0.26398016  0.61925199  1.0\n  Zn  Zn75  1  0.69191743  0.80808257  0.25000000  1.0\n  Zn  Zn76  1  0.75000000  0.68920873  0.81079127  1.0\n  Zn  Zn77  1  0.81091894  0.92771495  0.51915086  1.0\n  Zn  Zn78  1  0.50000000  0.50000000  0.50000000  1.0\n  Zn  Zn79  1  0.73601984  0.38074801  0.38102349  1.0\n  Zn  Zn80  1  0.11925199  0.76398016  0.11897651  1.0\n  Zn  Zn81  1  0.42853327  0.12712086  0.19140251  1.0\n  Zn  Zn82  1  0.92771495  0.51915086  0.81091894  1.0\n  Zn  Zn83  1  0.88102349  0.88074801  0.23601984  1.0\n  Zn  Zn84  1  0.12712086  0.19140251  0.42853327  1.0\n  Zn  Zn85  1  0.48084914  0.18908106  0.07228505  1.0\n  Zn  Zn86  1  0.25000000  0.69191743  0.80808257  1.0\n  Zn  Zn87  1  0.57228505  0.68908106  0.98084914  1.0\n  Zn  Zn88  1  0.07146673  0.30859749  0.37287914  1.0\n  Zn  Zn89  1  0.76398016  0.11897651  0.11925199  1.0\n  Zn  Zn90  1  0.11897651  0.11925199  0.76398016  1.0\n  Zn  Zn91  1  0.80859749  0.57146673  0.87287914  1.0\n", "composition": {"Mg": 42.0, "Zn": 50.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg21Zn25", "identifiers": {"materials_project_id": "mp-570025"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.359268420649415, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.11549346173913044, "is_stable": true, "ordering": "NM", "theoretical": false, "total_magnetization": 2.2e-06, "volume": 1634.6331992633025}, "record_id": "mp-570025", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 15.042428415150491, "alpha": 116.40747497534119, "b": 15.042428736071553, "beta": 116.40747555666618, "c": 15.042428553141795, "gamma": 116.40747559755641, "matrix": [[13.47426065, -0.00984905, -6.68721583], [-10.78169557, 8.08151269, -6.68721583], [-0.00328547, -0.00984906, 15.04242497]], "pbc": [true, true, true], "volume": 1634.6331992633025}, "properties": {}, "sites": [{"abc": [0.55719738, 0.25, 0.94280262], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.809301289393165, 2.0056045880719737, 8.784134575398898]}, {"abc": [0.43686365, 0.95494517, 0.8587659], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-4.412334869972998, 7.704640780802121, 3.610595644106903]}, {"abc": [0.04505483, 0.1412341, 0.56313635], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.917512714925332, 1.1353950604379865, 7.225182011104898]}, {"abc": [0.5652908, 0.68133156, 0.44786649], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.2694946681769311, 5.496211006951757, -1.599434707421703]}, {"abc": [0.25, 0.94280262, 0.55719738], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-6.798276324214464, 7.611321204767785, 0.40507121960110304]}, {"abc": [0.6412341, 0.54505483, 0.06313635], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.763332722466228, 4.397930144978857, -6.983246303895103]}, {"abc": [0.44280262, 0.75, 0.05719738], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-2.1200216793931665, 6.056209991928027, -7.1161412653988965]}, {"abc": [0.72359925, 0.18382319, 0.95173193], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [7.764912340654187, 1.4690690126255828, 8.248226443313069]}, {"abc": [0.04826807, 0.27640075, 0.81617681], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-2.3323737099911828, 2.2252221996433854, 10.106147954067525]}, {"abc": [0.68133156, 0.44786649, 0.5652908], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.349821631361987, 3.6071606707530925, 0.9521533700661449]}, {"abc": [0.8587659, 0.43686365, 0.95494517], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.8579672503251246, 3.512655790711283, 5.700536633613119]}, {"abc": [0.93686365, 0.3587659, 0.45494517], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [8.75394559020563, 2.885663174381199, -1.8206758513868824]}, {"abc": [0.94786649, 0.18133156, 0.0652908], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [10.816523959542753, 1.455454665777514, -6.569059114933856]}, {"abc": [0.27640075, 0.81617681, 0.04826807], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-5.0756327306541875, 6.592745567374417, -6.580233133313067]}, {"abc": [0.75, 0.05719738, 0.44280262], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [9.487555934214463, 0.450493375232215, 1.2629220903988951]}, {"abc": [0.3587659, 0.45494517, 0.93686365], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.07405311246622745, 3.6638844350211435, 8.651239613895104]}, {"abc": [0.06313635, 0.6412341, 0.54505483], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-6.06466598020563, 5.1761514056188025, 3.4886691613868814]}, {"abc": [0.45494517, 0.93686365, 0.3587659], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-3.972107577461944, 7.563261191673077, -3.9106168408930975]}, {"abc": [0.22359925, 0.45173193, 0.68382319], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-1.859848253440087, 3.641740068952278, 5.770273670932475]}, {"abc": [0.05213351, 0.81866844, 0.9347092], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-8.127244349542753, 6.606359914222486, 8.237052424933855]}, {"abc": [0.18382319, 0.95173193, 0.72359925], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-7.786779721561975, 7.682496413554518, 3.2909852521717244]}, {"abc": [0.95494517, 0.8587659, 0.43686365], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.606792324925332, 6.926419519562013, -5.557188701104897]}, {"abc": [0.31866844, 0.55213351, 0.4347092], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-1.6605420213619888, 4.4546539092469075, 0.715839939933856]}, {"abc": [0.55213351, 0.4347092, 0.31866844], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.75164159586157, 3.504531341127416, -1.8056840930251532]}, {"abc": [0.68382319, 0.22359925, 0.45173193], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.801748705690093, 1.7958360326775273, 0.7270139583130666]}, {"abc": [0.05719738, 0.44280262, 0.75], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-4.005934742321297, 3.570564857839759, 7.938210812500001]}, {"abc": [0.31617681, 0.77640075, 0.54826807], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-4.112469095690094, 6.265978547322473, 0.9409793516869334]}, {"abc": [0.95173193, 0.72359925, 0.18382319], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.021653319991183, 5.836592380356615, -8.438154644067524]}, {"abc": [0.94280262, 0.55719738, 0.25], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.6952143523212975, 4.491249722160241, -6.270217502500001]}, {"abc": [0.45173193, 0.68382319, 0.22359925], "label": "Mg", "properties": {"magmom": 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[6.783412468378044, 2.4804962052396973, -4.188722970340857]}, {"abc": [0.37287914, 0.07146673, 0.30859749], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.252724309268984, 0.5708473849191273, 1.670617853396203]}, {"abc": [0.30859749, 0.37287914, 0.07146673], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.13761884251494483, 3.0096842295256283, -3.482148384034805]}, {"abc": [0.62712086, 0.92853327, 0.69140251], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.5634446992689857, 7.490967195080873, -0.002624543396203549]}, {"abc": [0.81079127, 0.75, 0.68920873], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.83627685261837, 6.046360935607913, -0.06997747837581514]}, {"abc": [0.19140251, 0.42853327, 0.12712086], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": 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"Zn", "occu": 1.0}], "xyz": [1.344639805, 4.03090729, 0.833996655]}, {"abc": [0.73601984, 0.38074801, 0.38102349], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.810962193782289, 3.0660180550876754, -1.7365503848225199]}, {"abc": [0.11925199, 0.76398016, 0.11897651], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-6.630560004103009, 6.17176903235054, -4.1166687901774806]}, {"abc": [0.42853327, 0.12712086, 0.19140251], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.402961716855707, 1.0212230628456795, -0.8366211983962035]}, {"abc": [0.92771495, 0.51915086, 0.81091894], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.900282267928226, 4.17840036289092, 2.5226833631841608]}, {"abc": [0.88102349, 0.88074801, 0.23601984], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.3744077892256286, 7.106774401537712, -8.23103552901144]}, {"abc": [0.12712086, 0.19140251, 0.42853327], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.3521919256643087, 1.5413491438684428, 4.316145039034805]}, {"abc": [0.48084914, 0.18908106, 0.07228505], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.4402347283522134, 1.5226131388117814, -3.392625397357368]}, {"abc": [0.25, 0.69191743, 0.80808257], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-4.094132858378044, 5.581318374760303, 5.856716280340854]}, {"abc": [0.57228505, 0.68908106, 0.98084914], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.2784331674013818, 5.55352042472614, 6.319322177121505]}, {"abc": [0.07146673, 0.30859749, 0.37287914], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-2.36546792625104, 2.489558143117433, 3.0674350179275236]}, {"abc": [0.76398016, 0.11897651, 0.11925199], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [9.010907497632058, 0.9528111765774345, -4.110682708729896]}, {"abc": [0.11897651, 0.11925199, 0.76398016], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.31487182077437187, 0.955040178462288, 9.899028839011441]}, {"abc": [0.80859749, 0.57146673, 0.87287914], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.731005211724286, 4.601754674276312, 3.9014316729275222]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "-R 3 2\"c", "number": 167, "point_group": "-3m", "symbol": "R-3c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.04665811\n_cell_length_b   6.04665811\n_cell_length_c   6.04665844\n_cell_angle_alpha   50.42664128\n_cell_angle_beta   50.42664128\n_cell_angle_gamma   50.42664706\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   120.99909778\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  Mg  Mg0  1  0.00000000  0.67025000  0.32975000  1.0\n  Mg  Mg1  1  0.32975000  0.00000000  0.67025000  1.0\n  Mg  Mg2  1  0.50000000  0.50000000  0.50000000  1.0\n  Mg  Mg3  1  0.67025000  0.32975000  0.00000000  1.0\n  Zn  Zn4  1  0.16505900  0.16505900  0.16505900  1.0\n  Zn  Zn5  1  0.83494100  0.83494100  0.83494100  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094421"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1294944768127637, "energy_above_hull": 0.09241781653333381, "formation_energy_per_atom": 0.02158182666666697, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002661, "volume": 120.99909777889482}, "record_id": "mp-1094421", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.046658105115338, "alpha": 50.426641283141386, "b": 6.046658105115338, "beta": 50.426641283141386, "c": 6.046658438417039, "gamma": 50.42664706102778, "matrix": [[5.470581, -2.575814, 0.0], [5.470581, 2.575814, 0.0], [4.257764, 0.0, 4.293428]], "pbc": [true, true, true], "volume": 120.99909777889482}, "properties": {}, "sites": [{"abc": [0.0, 0.67025, 0.32975], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.0706545942500005, 1.7264393335, 1.4157578829999997]}, {"abc": [0.32975, 0.0, 0.67025], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.65769040575, -0.8493746664999999, 2.8776701169999996]}, {"abc": [0.5, 0.5, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [7.599463, 0.0, 2.146714]}, {"abc": [0.67025, 0.32975, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.470581, -0.877064667, 0.0]}, {"abc": [0.165059, 0.165059, 0.165059], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.5087195266340006, 0.0, 0.708668932252]}, {"abc": [0.834941, 0.834941, 0.834941], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [12.690206473366, 0.0, 3.5847590677479997]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 2\"", "number": 155, "point_group": "32", "symbol": "R32", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.73998228\n_cell_length_b   7.73998228\n_cell_length_c   4.72714492\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   156.29132072\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   113.86711514\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  Mg  Mg0  1  0.09258324  0.90741676  0.25000000  1.0\n  Mg  Mg1  1  0.78237752  0.21762248  0.25000000  1.0\n  Mg  Mg2  1  0.21762248  0.78237752  0.75000000  1.0\n  Mg  Mg3  1  0.90741676  0.09258324  0.75000000  1.0\n  Zn  Zn4  1  0.44052989  0.55947011  0.25000000  1.0\n  Zn  Zn5  1  0.55947011  0.44052989  0.75000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094422"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.325508051352203, "energy_above_hull": 0.03655034320000028, "formation_energy_per_atom": -0.03428564666666656, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 2e-07, "volume": 113.8671151448295}, "record_id": "mp-1094422", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.7399822761278, "alpha": 90.0, "b": 7.7399822761278, "beta": 90.0, "c": 4.72714492, "gamma": 156.2913207156118, "matrix": [[1.58998062, -7.5749117, -0.0], [1.58998062, 7.5749117, 0.0], [0.0, 0.0, 4.72714492]], "pbc": [true, true, true], "volume": 113.8671151448295}, "properties": {}, "sites": [{"abc": [0.09258324, 0.90741676, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.58998062, 6.172291964200185, 1.18178623]}, {"abc": [0.78237752, 0.21762248, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.58998062, -4.277969560129968, 1.18178623]}, {"abc": [0.21762248, 0.78237752, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.58998062, 4.277969560129968, 3.5453586899999996]}, {"abc": [0.90741676, 0.09258324, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.58998062, -6.172291964200185, 3.5453586899999996]}, {"abc": [0.44052989, 0.55947011, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.58998062, 0.9009616640785745, 1.18178623]}, {"abc": [0.55947011, 0.44052989, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.58998062, -0.9009616640785745, 3.5453586899999996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.08820030\n_cell_length_b   3.08820030\n_cell_length_c   14.52655100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000646\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   119.97866870\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  Mg  Mg0  1  0.66666700  0.33333300  0.90817700  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.59182300  1.0\n  Mg  Mg2  1  0.33333300  0.66666700  0.40817700  1.0\n  Mg  Mg3  1  0.33333300  0.66666700  0.09182300  1.0\n  Zn  Zn4  1  0.33333300  0.66666700  0.75000000  1.0\n  Zn  Zn5  1  0.66666700  0.33333300  0.25000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094431"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.156111101206824, "energy_above_hull": 0.09092040653333355, "formation_energy_per_atom": 0.020084416666666865, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 3.62e-05, "volume": 119.97866870199397}, "record_id": "mp-1094431", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0882003014053345, "alpha": 90.0, "b": 3.0882003014053345, "beta": 90.0, "c": 14.526551, "gamma": 120.00000645709935, "matrix": [[1.5441, -2.67446, 0.0], [1.5441, 2.67446, 0.0], [0.0, 0.0, 14.526551]], "pbc": [true, true, true], "volume": 119.97866870199397}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.908177], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5441, -0.8914884496400001, 13.192679507527]}, {"abc": [0.666667, 0.333333, 0.591823], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5441, -0.8914884496400001, 8.597146992473]}, {"abc": [0.333333, 0.666667, 0.408177], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5441, 0.8914884496400001, 5.929404007527]}, {"abc": [0.333333, 0.666667, 0.091823], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5441, 0.8914884496400001, 1.333871492473]}, {"abc": [0.333333, 0.666667, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5441, 0.8914884496400001, 10.89491325]}, {"abc": [0.666667, 0.333333, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5441, -0.8914884496400001, 3.63163775]}], "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_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.37600163\n_cell_length_b   5.37600163\n_cell_length_c   4.73873711\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   124.30459993\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   113.13300923\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  Mg  Mg0  1  0.04078684  0.35113130  0.75000000  1.0\n  Mg  Mg1  1  0.35113130  0.04078684  0.75000000  1.0\n  Mg  Mg2  1  0.64886870  0.95921316  0.25000000  1.0\n  Mg  Mg3  1  0.95921316  0.64886870  0.25000000  1.0\n  Zn  Zn4  1  0.67545919  0.67545919  0.75000000  1.0\n  Zn  Zn5  1  0.32454081  0.32454081  0.25000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094437"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.3470868561636036, "energy_above_hull": 0.059813491533333485, "formation_energy_per_atom": -0.011022498333333353, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 1.67e-05, "volume": 113.13300923191517}, "record_id": "mp-1094437", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.376001633815246, "alpha": 90.0, "b": 5.376001633815246, "beta": 90.0, "c": 4.73873711, "gamma": 124.3045999283713, "matrix": [[2.51125354, -4.75341974, 0.0], [2.51125354, 4.75341974, 0.0], [0.0, 0.0, 4.73873711]], "pbc": [true, true, true], "volume": 113.13300923191517}, "properties": {}, "sites": [{"abc": [0.04078684, 0.3511313, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9842058164652154, 1.4751974823636402, 3.5540528325]}, {"abc": [0.3511313, 0.04078684, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.9842058164652154, -1.4751974823636402, 3.5540528325]}, {"abc": [0.6488687, 0.95921316, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.038301263534784, 1.4751974823636402, 1.1846842775]}, {"abc": [0.95921316, 0.6488687, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.038301263534784, -1.4751974823636402, 1.1846842775]}, {"abc": [0.67545919, 0.67545919, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.3924985640260648, 0.0, 3.5540528325]}, {"abc": [0.32454081, 0.32454081, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.6300085159739348, 0.0, 1.1846842775]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.09261238\n_cell_length_b   3.09261238\n_cell_length_c   14.58246800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000822\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   120.78489029\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  Mg  Mg0  1  0.00000000  0.00000000  0.50000000  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.31679200  1.0\n  Mg  Mg2  1  0.66666700  0.33333300  0.00000000  1.0\n  Mg  Mg3  1  0.66666700  0.33333300  0.68320800  1.0\n  Zn  Zn4  1  0.00000000  0.00000000  0.15861600  1.0\n  Zn  Zn5  1  0.00000000  0.00000000  0.84138400  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094438"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1350445182063766, "energy_above_hull": 0.09016583653333354, "formation_energy_per_atom": 0.01932984666666678, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0006754, "volume": 120.78489029400498}, "record_id": "mp-1094438", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.092612384473198, "alpha": 90.0, "b": 3.092612384473198, "beta": 90.0, "c": 14.582468, "gamma": 120.00000822493686, "matrix": [[1.546306, -2.678281, 0.0], [1.546306, 2.678281, 0.0], [0.0, 0.0, 14.582468]], "pbc": [true, true, true], "volume": 120.78489029400498}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 7.291234]}, {"abc": [0.666667, 0.333333, 0.316792], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.546306, -0.8927621188540001, 4.619609202656]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.546306, -0.8927621188540001, 0.0]}, {"abc": [0.666667, 0.333333, 0.683208], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.546306, -0.8927621188540001, 9.962858797344001]}, {"abc": [0.0, 0.0, 0.158616], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 2.313012744288]}, {"abc": [0.0, 0.0, 0.841384], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 12.269455255712]}], "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_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.57859557\n_cell_length_b   7.57859557\n_cell_length_c   4.80009548\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   155.65820912\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   113.63528823\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  Mg  Mg0  1  0.44039163  0.55960837  0.25000000  1.0\n  Mg  Mg1  1  0.76569531  0.23430469  0.25000000  1.0\n  Mg  Mg2  1  0.23430469  0.76569531  0.75000000  1.0\n  Mg  Mg3  1  0.55960837  0.44039163  0.75000000  1.0\n  Zn  Zn4  1  0.10826311  0.89173689  0.25000000  1.0\n  Zn  Zn5  1  0.89173689  0.10826311  0.75000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094440"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.332292407415658, "energy_above_hull": 0.046294391533334034, "formation_energy_per_atom": -0.024541598333332654, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 5.19e-05, "volume": 113.63528823451942}, "record_id": "mp-1094440", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.578595571734737, "alpha": 90.0, "b": 7.578595571734737, "beta": 90.0, "c": 4.80009548, "gamma": 155.6582091201968, "matrix": [[1.5977822, -7.40825235, 0.0], [1.5977822, 7.40825235, 0.0], [0.0, 0.0, 4.80009548]], "pbc": [true, true, true], "volume": 113.63528823451942}, "properties": {}, "sites": [{"abc": [0.44039163, 0.55960837, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5977821999999997, 0.8831876942643384, 1.20002387]}, {"abc": [0.76569531, 0.23430469, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5977822000000002, -3.9366758093829564, 1.20002387]}, {"abc": [0.23430469, 0.76569531, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5977822000000002, 3.9366758093829564, 3.6000716100000005]}, {"abc": [0.55960837, 0.44039163, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5977821999999997, -0.8831876942643384, 3.6000716100000005]}, {"abc": [0.10826311, 0.89173689, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5977822, 5.804171471848383, 1.20002387]}, {"abc": [0.89173689, 0.10826311, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5977822, -5.804171471848383, 3.6000716100000005]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.24793969\n_cell_length_b   5.24793969\n_cell_length_c   4.98427500\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999610\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   118.88041584\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  Mg  Mg0  1  0.65779500  0.00000000  0.00000000  1.0\n  Mg  Mg1  1  0.00000000  0.65779500  0.00000000  1.0\n  Mg  Mg2  1  0.34220500  0.34220500  0.00000000  1.0\n  Mg  Mg3  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn4  1  0.33333300  0.66666700  0.50000000  1.0\n  Zn  Zn5  1  0.66666700  0.33333300  0.50000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094448"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1852682002092743, "energy_above_hull": 0.08588678820000029, "formation_energy_per_atom": 0.015050798333333523, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0014928, "volume": 118.88041583860984}, "record_id": "mp-1094448", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.247939690364306, "alpha": 90.0, "b": 5.247939690364306, "beta": 90.0, "c": 4.984275, "gamma": 119.99999609649993, "matrix": [[2.62397, -4.544849, 0.0], [2.62397, 4.544849, 0.0], [0.0, 0.0, 4.984275]], "pbc": [true, true, true], "volume": 118.88041583860984}, "properties": {}, "sites": [{"abc": [0.657795, 0.0, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.72603434615, -2.989578947955, 0.0]}, {"abc": [0.0, 0.657795, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.72603434615, 2.989578947955, 0.0]}, {"abc": [0.342205, 0.342205, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.7958713077, 0.0, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 2.4921375]}, {"abc": [0.333333, 0.666667, 0.5], "label": "Zn", "properties": {"magmom": 0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.62397, 1.5149526965660003, 2.4921375]}, {"abc": [0.666667, 0.333333, 0.5], "label": "Zn", "properties": {"magmom": 0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.62397, -1.5149526965660003, 2.4921375]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 -2", "number": 189, "point_group": "-6m2", "symbol": "P-62m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.71467281\n_cell_length_b   5.71467281\n_cell_length_c   7.06984823\n_cell_angle_alpha   78.18466777\n_cell_angle_beta   78.18466777\n_cell_angle_gamma   31.79340530\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   118.85401271\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  Mg  Mg0  1  0.00454200  0.00454200  0.00607900  1.0\n  Mg  Mg1  1  0.33523300  0.33523300  0.34068400  1.0\n  Mg  Mg2  1  0.65823600  0.65823600  0.65762700  1.0\n  Mg  Mg3  1  0.28058100  0.28058100  0.93959600  1.0\n  Zn  Zn4  1  0.61064100  0.61064100  0.28103300  1.0\n  Zn  Zn5  1  0.94410000  0.94410000  0.60831500  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094455"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.185975799765361, "energy_above_hull": 0.08861071320000025, "formation_energy_per_atom": 0.017774723333333558, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 7e-06, "volume": 118.85401270978475}, "record_id": "mp-1094455", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.714672808094091, "alpha": 78.18466776675885, "b": 5.714672808094091, "beta": 78.18466776675885, "c": 7.069848232043245, "gamma": 31.79340529598154, "matrix": [[1.565271, 5.496127, 0.0], [-1.565271, 5.496127, 0.0], [0.0, 1.50517, 6.907765]], "pbc": [true, true, true], "volume": 118.85401270978475}, "properties": {}, "sites": [{"abc": [0.004542, 0.004542, 0.006079], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.059076746097999996, 0.041992303435]}, {"abc": [0.335233, 0.335233, 0.340684], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.197753621462001, 2.35336501126]}, {"abc": [0.658236, 0.658236, 0.657627], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 8.225337735534001, 4.542732773655]}, {"abc": [0.280581, 0.280581, 0.939596], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.498469330894, 6.49050836294]}, {"abc": [0.610641, 0.610641, 0.281033], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.135323415424001, 1.941309921245]}, {"abc": [0.9441, 0.9441, 0.608315], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 11.293404489950001, 4.202097065975001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.99964064\n_cell_length_b   5.99964064\n_cell_length_c   7.00076595\n_cell_angle_alpha   74.65784662\n_cell_angle_beta   74.65784662\n_cell_angle_gamma   29.58615677\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   119.66984821\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  Mg  Mg0  1  0.30136500  0.30136500  0.15546800  1.0\n  Mg  Mg1  1  0.02526400  0.02526400  0.21859200  1.0\n  Mg  Mg2  1  0.97473600  0.97473600  0.78140800  1.0\n  Mg  Mg3  1  0.69863500  0.69863500  0.84453200  1.0\n  Zn  Zn4  1  0.64155000  0.64155000  0.47436100  1.0\n  Zn  Zn5  1  0.35845000  0.35845000  0.52563900  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094458"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1642557741648347, "energy_above_hull": 0.08018877820000037, "formation_energy_per_atom": 0.009352788333333528, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0009676, "volume": 119.66984821204063}, "record_id": "mp-1094458", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.999640644839322, "alpha": 74.65784662072052, "b": 5.999640644839322, "beta": 74.65784662072052, "c": 7.000765951183984, "gamma": 29.586156765589788, "matrix": [[1.531882, 5.800778, 0.0], [-1.531882, 5.800778, 0.0], [0.0, 1.915781, 6.733536]], "pbc": [true, true, true], "volume": 119.66984821204063}, "properties": {}, "sites": [{"abc": [0.301365, 0.301365, 0.155468], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 3.794145564448, 1.046849374848]}, {"abc": [0.025264, 0.025264, 0.218592], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.7118761111360001, 1.4718971013120001]}, {"abc": [0.974736, 0.974736, 0.781408], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 12.805460888864001, 5.261638898688]}, {"abc": [0.698635, 0.698635, 0.844532], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 9.723191435552, 5.686686625151999]}, {"abc": [0.64155, 0.64155, 0.474361], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 8.351750042741, 3.194126870496]}, {"abc": [0.35845, 0.35845, 0.525639], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 5.165586957259, 3.5394091295039996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.07613760\n_cell_length_b   8.07613779\n_cell_length_c   4.85597200\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.90573799\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   119.13058578\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  Mg  Mg0  1  0.00277000  0.99723000  0.00000000  1.0\n  Mg  Mg1  1  0.33071500  0.66928500  0.00000000  1.0\n  Mg  Mg2  1  0.66647600  0.33352400  0.00000000  1.0\n  Mg  Mg3  1  0.44465300  0.55534700  0.50000000  1.0\n  Zn  Zn4  1  0.11284100  0.88715900  0.50000000  1.0\n  Zn  Zn5  1  0.77587700  0.22412300  0.50000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094465"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.178579251585024, "energy_above_hull": 0.07719243986666702, "formation_energy_per_atom": 0.00635645000000018, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002819, "volume": 119.1305857828003}, "record_id": "mp-1094465", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.076137595323399, "alpha": 90.0, "b": 8.076137786939807, "beta": 90.0, "c": 4.855972, "gamma": 157.9057379895278, "matrix": [[1.54752, -7.926486, 0.0], [1.547521, 7.926486, 0.0], [0.0, 0.0, 4.855972]], "pbc": [true, true, true], "volume": 119.1305857828003}, "properties": {}, "sites": [{"abc": [0.00277, 0.99723, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.54752099723, 7.882573267559999, 0.0]}, {"abc": [0.330715, 0.669285, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5475206692849999, 2.6836703650200002, 0.0]}, {"abc": [0.666476, 0.333524, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.547520333524, -2.6391393666719996, 0.0]}, {"abc": [0.444653, 0.555347, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.547520555347, 0.8774144412839999, 2.427986]}, {"abc": [0.112841, 0.887159, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.547520887159, 6.137620786548, 2.427986]}, {"abc": [0.775877, 0.224123, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.547520224123, -4.373470356444, 2.427986]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.13246511\n_cell_length_b   5.13246511\n_cell_length_c   5.92139090\n_cell_angle_alpha   61.97817326\n_cell_angle_beta   61.97817326\n_cell_angle_gamma   60.27139870\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   113.72373733\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  Mg  Mg0  1  0.23912490  0.41954395  0.75024997  1.0\n  Mg  Mg1  1  0.58045605  0.76087510  0.74975003  1.0\n  Mg  Mg2  1  0.41954395  0.23912490  0.25024997  1.0\n  Mg  Mg3  1  0.76087510  0.58045605  0.24975003  1.0\n  Zn  Zn4  1  0.08261507  0.91738493  0.25000000  1.0\n  Zn  Zn5  1  0.91738493  0.08261507  0.75000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094468"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.3297007034882675, "energy_above_hull": 0.06750086986666681, "formation_energy_per_atom": -0.0033351200000000247, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 113.72373733221129}, "record_id": "mp-1094468", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.132465108046364, "alpha": 61.97817325633101, "b": 5.132465108046364, "beta": 61.97817325633101, "c": 5.921390904222363, "gamma": 60.271398698175005, "matrix": [[2.57675252, 4.43873418, 0.01354309], [-2.57675252, 4.43873418, 0.01354309], [0.0, 3.20150406, 4.98128919]], "pbc": [true, true, true], "volume": 113.72373733221127}, "properties": {}, "sites": [{"abc": [0.2391249, 0.41954395, 0.75024997], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.46489524174350594, 5.325584262766172, 3.746132476874571]}, {"abc": [0.58045605, 0.7608751, 0.74975003], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.46489524174350594, 8.35414018723383, 3.752887488125429]}, {"abc": [0.41954395, 0.2391249, 0.25024997], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.46489524174350594, 3.7248322327661714, 1.2554878818745707]}, {"abc": [0.7608751, 0.58045605, 0.24975003], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.46489524174350594, 6.75338815723383, 1.2622428931254293]}, {"abc": [0.08261507, 0.91738493, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-2.150995340375047, 5.239110195, 1.2588653875]}, {"abc": [0.91738493, 0.08261507, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.150995340375047, 6.839862225, 3.7495099825000002]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2yc", "number": 15, "point_group": "2/m", "symbol": "C2/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.92025113\n_cell_length_b   7.92025113\n_cell_length_c   4.95529300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.38624406\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   119.52609886\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  Mg  Mg0  1  0.62175300  0.37824700  0.25000000  1.0\n  Mg  Mg1  1  0.93959700  0.06040300  0.25000000  1.0\n  Mg  Mg2  1  0.06040300  0.93959700  0.75000000  1.0\n  Mg  Mg3  1  0.37824700  0.62175300  0.75000000  1.0\n  Zn  Zn4  1  0.27778500  0.72221500  0.25000000  1.0\n  Zn  Zn5  1  0.72221500  0.27778500  0.75000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094469"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1680613005839313, "energy_above_hull": 0.08092532820000042, "formation_energy_per_atom": 0.010089338333333586, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0013699, "volume": 119.52609885692044}, "record_id": "mp-1094469", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.920251128620166, "alpha": 90.0, "b": 7.920251128620166, "beta": 90.0, "c": 4.955293, "gamma": 157.38624406471698, "matrix": [[1.552875, -7.766528, 0.0], [1.552875, 7.766528, 0.0], [0.0, 0.0, 4.955293]], "pbc": [true, true, true], "volume": 119.52609885692044}, "properties": {}, "sites": [{"abc": [0.621753, 0.378247, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.552875, -1.8911961671680002, 1.23882325]}, {"abc": [0.939597, 0.060403, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.552875, -6.828284818432, 1.23882325]}, {"abc": [0.060403, 0.939597, 0.75], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.552875, 6.828284818432, 3.71646975]}, {"abc": [0.378247, 0.621753, 0.75], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.552875, 1.8911961671680002, 3.71646975]}, {"abc": [0.277785, 0.722215, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5528750000000002, 3.451678039040001, 1.23882325]}, {"abc": [0.722215, 0.277785, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5528750000000002, -3.451678039040001, 3.71646975]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.05398870\n_cell_length_b   3.05398870\n_cell_length_c   15.00215900\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001518\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   121.17671671\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  Mg  Mg0  1  0.66666700  0.33333300  0.77578300  1.0\n  Mg  Mg1  1  0.33333300  0.66666700  0.59138000  1.0\n  Mg  Mg2  1  0.66666700  0.33333300  0.40862000  1.0\n  Mg  Mg3  1  0.33333300  0.66666700  0.22421700  1.0\n  Zn  Zn4  1  0.33333300  0.66666700  0.93123600  1.0\n  Zn  Zn5  1  0.66666700  0.33333300  0.06876400  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094480"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.124907312910908, "energy_above_hull": 0.11260917986666685, "formation_energy_per_atom": 0.04177319000000009, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0003901, "volume": 121.17671670896524}, "record_id": "mp-1094480", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0539887007420314, "alpha": 90.0, "b": 3.0539887007420314, "beta": 90.0, "c": 15.002159, "gamma": 120.0000151803829, "matrix": [[1.526994, -2.644832, 0.0], [1.526994, 2.644832, 0.0], [0.0, 0.0, 15.002159]], "pbc": [true, true, true], "volume": 121.17671670896524}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.775783], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5269940000000002, -0.881612429888, 11.638419915497]}, {"abc": [0.333333, 0.666667, 0.59138], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5269940000000002, 0.881612429888, 8.871976789420001]}, {"abc": [0.666667, 0.333333, 0.40862], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5269940000000002, -0.881612429888, 6.13018221058]}, {"abc": [0.333333, 0.666667, 0.224217], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5269940000000002, 0.881612429888, 3.363739084503]}, {"abc": [0.333333, 0.666667, 0.931236], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5269940000000002, 0.881612429888, 13.970550538524]}, {"abc": [0.666667, 0.333333, 0.068764], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5269940000000002, -0.881612429888, 1.0316084614760002]}], "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_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.79371454\n_cell_length_b   5.79371454\n_cell_length_c   7.17988977\n_cell_angle_alpha   74.19007244\n_cell_angle_beta   74.19007244\n_cell_angle_gamma   31.13742057\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   119.53541169\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  Mg  Mg0  1  0.14270600  0.14270600  0.96366700  1.0\n  Mg  Mg1  1  0.53018100  0.53018100  0.68393500  1.0\n  Mg  Mg2  1  0.46981900  0.46981900  0.31606500  1.0\n  Mg  Mg3  1  0.85729400  0.85729400  0.03633300  1.0\n  Zn  Zn4  1  0.80345300  0.80345300  0.63832000  1.0\n  Zn  Zn5  1  0.19654700  0.19654700  0.36168000  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094489"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.1678144815729135, "energy_above_hull": 0.08970595653333358, "formation_energy_per_atom": 0.018869966666666887, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0004766, "volume": 119.53541168558584}, "record_id": "mp-1094489", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.793714543134655, "alpha": 74.19007244062728, "b": 5.793714543134655, "beta": 74.19007244062728, "c": 7.179889771544477, "gamma": 31.13742057113946, "matrix": [[1.554997, 5.581139, 0.0], [-1.554997, 5.581139, 0.0], [0.0, 2.030645, 6.886748]], "pbc": [true, true, true], "volume": 119.53541168558584}, "properties": {}, "sites": [{"abc": [0.142706, 0.142706, 0.963667], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 3.549789619483, 6.636531784916]}, {"abc": [0.530181, 0.530181, 0.683935], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 7.306856900393001, 4.710087993379999]}, {"abc": [0.469819, 0.469819, 0.316065], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 5.886066099607, 2.1766600066199997]}, {"abc": [0.857294, 0.857294, 0.036333], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 9.643133380517, 0.250216215084]}, {"abc": [0.803453, 0.803453, 0.63832], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 10.264567062333999, 4.39594898336]}, {"abc": [0.196547, 0.196547, 0.36168], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 2.928355937666, 2.49079901664]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.90901518\n_cell_length_b   5.90901518\n_cell_length_c   6.50079035\n_cell_angle_alpha   74.58725226\n_cell_angle_beta   74.58725226\n_cell_angle_gamma   31.56791203\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg2Zn\n_chemical_formula_sum   'Mg4 Zn2'\n_cell_volume   114.20656396\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  Mg  Mg0  1  0.84015277  0.84015277  0.09235076  1.0\n  Mg  Mg1  1  0.14133399  0.14133399  0.43961518  1.0\n  Mg  Mg2  1  0.85866601  0.85866601  0.56038482  1.0\n  Mg  Mg3  1  0.15984723  0.15984723  0.90764924  1.0\n  Zn  Zn4  1  0.50866205  0.50866205  0.22168341  1.0\n  Zn  Zn5  1  0.49133795  0.49133795  0.77831659  1.0\n", "composition": {"Mg": 4.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn", "identifiers": {"materials_project_id": "mp-1094503"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.315623858041936, "energy_above_hull": 0.058884221533333614, "formation_energy_per_atom": -0.011951768333333076, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 114.20656395626332}, "record_id": "mp-1094503", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.909015176465811, "alpha": 74.58725226198435, "b": 5.909015176465811, "beta": 74.58725226198435, "c": 6.500790348080441, "gamma": 31.567912026530347, "matrix": [[1.60731592, 5.68618781, 0.01625049], [-1.60731592, 5.68618781, 0.01625049], [-0.0, 1.77755348, 6.25304556]], "pbc": [true, true, true], "volume": 114.20656395626332}, "properties": {}, "sites": [{"abc": [0.84015277, 0.84015277, 0.09235076], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 9.718691293442113, 0.6047792981553403]}, {"abc": [0.14133399, 0.14133399, 0.43961518], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 2.3887427152231497, 2.7535272425899113]}, {"abc": [0.85866601, 0.85866601, 0.56038482], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 10.76118638477685, 3.532019297410089]}, {"abc": [0.15984723, 0.15984723, 0.90764924], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 3.4312378065578875, 5.68076724184466]}, {"abc": [0.50866205, 0.50866205, 0.22168341], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 6.178750013142988, 1.4027284777399687]}, {"abc": [0.49133795, 0.49133795, 0.77831659], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 6.971179086857012, 4.882818062260032]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg2Zn11\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.41170576\n_cell_length_b   8.41170576\n_cell_length_c   8.41170576\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   Mg2Zn11\n_chemical_formula_sum   'Mg6 Zn33'\n_cell_volume   595.18532991\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.30220505  0.00000000  0.50000000  1.0\n  Mg  Mg1  1  0.50000000  0.30220505  -0.00000000  1.0\n  Mg  Mg2  1  0.00000000  0.50000000  0.30220505  1.0\n  Mg  Mg3  1  0.50000000  0.69779495  -0.00000000  1.0\n  Mg  Mg4  1  0.00000000  0.50000000  0.69779495  1.0\n  Mg  Mg5  1  0.69779495  0.00000000  0.50000000  1.0\n  Zn  Zn6  1  0.50000000  0.50000000  0.50000000  1.0\n  Zn  Zn7  1  0.22974277  0.00000000  -0.00000000  1.0\n  Zn  Zn8  1  0.00000000  0.22974277  -0.00000000  1.0\n  Zn  Zn9  1  0.00000000  0.00000000  0.22974277  1.0\n  Zn  Zn10  1  0.00000000  0.77025723  -0.00000000  1.0\n  Zn  Zn11  1  0.00000000  0.00000000  0.77025723  1.0\n  Zn  Zn12  1  0.77025723  0.00000000  -0.00000000  1.0\n  Zn  Zn13  1  0.16089799  0.50000000  -0.00000000  1.0\n  Zn  Zn14  1  0.00000000  0.16089799  0.50000000  1.0\n  Zn  Zn15  1  0.50000000  0.00000000  0.16089799  1.0\n  Zn  Zn16  1  0.00000000  0.83910201  0.50000000  1.0\n  Zn  Zn17  1  0.50000000  0.00000000  0.83910201  1.0\n  Zn  Zn18  1  0.83910201  0.50000000  -0.00000000  1.0\n  Zn  Zn19  1  0.21834956  0.21834956  0.21834956  1.0\n  Zn  Zn20  1  0.78165044  0.78165044  0.21834956  1.0\n  Zn  Zn21  1  0.21834956  0.78165044  0.78165044  1.0\n  Zn  Zn22  1  0.78165044  0.21834956  0.78165044  1.0\n  Zn  Zn23  1  0.78165044  0.78165044  0.78165044  1.0\n  Zn  Zn24  1  0.21834956  0.21834956  0.78165044  1.0\n  Zn  Zn25  1  0.78165044  0.21834956  0.21834956  1.0\n  Zn  Zn26  1  0.21834956  0.78165044  0.21834956  1.0\n  Zn  Zn27  1  0.50000000  0.23619669  0.34237780  1.0\n  Zn  Zn28  1  0.34237780  0.50000000  0.23619669  1.0\n  Zn  Zn29  1  0.23619669  0.34237780  0.50000000  1.0\n  Zn  Zn30  1  0.76380331  0.65762220  0.50000000  1.0\n  Zn  Zn31  1  0.34237780  0.50000000  0.76380331  1.0\n  Zn  Zn32  1  0.76380331  0.34237780  0.50000000  1.0\n  Zn  Zn33  1  0.65762220  0.50000000  0.23619669  1.0\n  Zn  Zn34  1  0.65762220  0.50000000  0.76380331  1.0\n  Zn  Zn35  1  0.23619669  0.65762220  0.50000000  1.0\n  Zn  Zn36  1  0.50000000  0.76380331  0.65762220  1.0\n  Zn  Zn37  1  0.50000000  0.23619669  0.65762220  1.0\n  Zn  Zn38  1  0.50000000  0.76380331  0.34237780  1.0\n", "composition": {"Mg": 6.0, "Zn": 33.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg2Zn11", "identifiers": {"materials_project_id": "mp-30784"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.428963918970298, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.06244894641025484, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 595.1853299061726}, "record_id": "mp-30784", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.41170576, "alpha": 90.0, "b": 8.41170576, "beta": 90.0, "c": 8.41170576, "gamma": 90.0, "matrix": [[8.41170576, -0.0, 0.0], [0.0, 8.41170576, -0.0], [-0.0, 0.0, 8.41170576]], "pbc": [true, true, true], "volume": 595.1853299061726}, "properties": {}, "sites": [{"abc": [0.30220505, 0.0, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.542059959786088, 0.0, 4.20585288]}, {"abc": [0.5, 0.30220505, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.20585288, 2.542059959786088, 0.0]}, {"abc": [0.0, 0.5, 0.30220505], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.20585288, 2.542059959786088]}, {"abc": [0.5, 0.69779495, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.20585288, 5.869645800213912, 0.0]}, {"abc": [0.0, 0.5, 0.69779495], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.20585288, 5.869645800213912]}, {"abc": [0.69779495, 0.0, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.869645800213912, 0.0, 4.20585288]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 4.20585288, 4.20585288]}, {"abc": [0.22974277, 0.0, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.9325285817273554, 0.0, 0.0]}, {"abc": [0.0, 0.22974277, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.9325285817273554, 0.0]}, {"abc": [0.0, 0.0, 0.22974277], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 1.9325285817273554]}, {"abc": [0.0, 0.77025723, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 6.4791771782726455, 0.0]}, {"abc": [0.0, 0.0, 0.77025723], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 6.4791771782726455]}, {"abc": [0.77025723, 0.0, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.4791771782726455, 0.0, 0.0]}, {"abc": [0.16089799, 0.5, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3534265492554223, 4.20585288, 0.0]}, {"abc": [0.0, 0.16089799, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.3534265492554223, 4.20585288]}, {"abc": [0.5, 0.0, 0.16089799], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 0.0, 1.3534265492554223]}, {"abc": [0.0, 0.83910201, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.058279210744577, 4.20585288]}, {"abc": [0.5, 0.0, 0.83910201], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 0.0, 7.058279210744577]}, {"abc": [0.83910201, 0.5, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.058279210744577, 4.20585288, 0.0]}, {"abc": [0.21834956, 0.21834956, 0.21834956], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.8366922515454656, 1.8366922515454656, 1.8366922515454656]}, {"abc": [0.78165044, 0.78165044, 0.21834956], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.575013508454534, 6.575013508454534, 1.8366922515454656]}, {"abc": [0.21834956, 0.78165044, 0.78165044], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.8366922515454656, 6.575013508454534, 6.575013508454534]}, {"abc": [0.78165044, 0.21834956, 0.78165044], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.575013508454534, 1.8366922515454656, 6.575013508454534]}, {"abc": [0.78165044, 0.78165044, 0.78165044], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.575013508454534, 6.575013508454534, 6.575013508454534]}, {"abc": [0.21834956, 0.21834956, 0.78165044], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.8366922515454656, 1.8366922515454656, 6.575013508454534]}, {"abc": [0.78165044, 0.21834956, 0.21834956], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.575013508454534, 1.8366922515454656, 1.8366922515454656]}, {"abc": [0.21834956, 0.78165044, 0.21834956], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.8366922515454656, 6.575013508454534, 1.8366922515454656]}, {"abc": [0.5, 0.23619669, 0.3423778], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 1.9868170577659343, 2.879981312356128]}, {"abc": [0.3423778, 0.5, 0.23619669], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.879981312356128, 4.20585288, 1.9868170577659343]}, {"abc": [0.23619669, 0.3423778, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.9868170577659343, 2.879981312356128, 4.20585288]}, {"abc": [0.76380331, 0.6576222, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.424888702234066, 5.531724447643873, 4.20585288]}, {"abc": [0.3423778, 0.5, 0.76380331], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.879981312356128, 4.20585288, 6.424888702234066]}, {"abc": [0.76380331, 0.3423778, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.424888702234066, 2.879981312356128, 4.20585288]}, {"abc": [0.6576222, 0.5, 0.23619669], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.531724447643873, 4.20585288, 1.9868170577659343]}, {"abc": [0.6576222, 0.5, 0.76380331], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.531724447643873, 4.20585288, 6.424888702234066]}, {"abc": [0.23619669, 0.6576222, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.9868170577659343, 5.531724447643873, 4.20585288]}, {"abc": [0.5, 0.76380331, 0.6576222], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 6.424888702234066, 5.531724447643873]}, {"abc": [0.5, 0.23619669, 0.6576222], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 1.9868170577659343, 5.531724447643873]}, {"abc": [0.5, 0.76380331, 0.3423778], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.20585288, 6.424888702234066, 2.879981312356128]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "-P 2 2 3", "number": 200, "point_group": "m-3", "symbol": "Pm-3", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.17061955\n_cell_length_b   4.83557625\n_cell_length_c   5.17115741\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   Mg3Zn\n_chemical_formula_sum   'Mg3 Zn1'\n_cell_volume   79.28300946\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  Mg  Mg0  1  0.00000000  -0.00000000  0.67435064  1.0\n  Mg  Mg1  1  0.00000000  0.50000000  0.32010147  1.0\n  Mg  Mg2  1  0.50000000  0.50000000  0.83541167  1.0\n  Zn  Zn3  1  0.50000000  0.00000000  0.17013621  1.0\n", "composition": {"Mg": 3.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1016243"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.8971201742130495, "energy_above_hull": 0.06835206115000014, "formation_energy_per_atom": 0.015225068750000181, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 79.28300945668636}, "record_id": "mp-1016243", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.17061955, "alpha": 90.0, "b": 4.83557625, "beta": 90.0, "c": 5.17115741, "gamma": 90.0, "matrix": [[3.17061955, 0.0, 0.0], [0.0, 4.83557625, 0.0], [0.0, 0.0, 5.17115741]], "pbc": [true, true, true], "volume": 79.28300945668636}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.67435064], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 3.4871733089742425]}, {"abc": [0.0, 0.5, 0.32010147], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 2.417788125, 1.6552950885423927]}, {"abc": [0.5, 0.5, 0.83541167], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.585309775, 2.417788125, 4.320045247720975]}, {"abc": [0.5, 0.0, 0.17013621], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.585309775, 0.0, 0.8798011230508161]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2 -2", "number": 25, "point_group": "mm2", "symbol": "Pmm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.85557406\n_cell_length_b   5.85557406\n_cell_length_c   5.85557406\n_cell_angle_alpha   148.98542049\n_cell_angle_beta   127.01544510\n_cell_angle_gamma   62.67311290\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg3Zn\n_chemical_formula_sum   'Mg3 Zn1'\n_cell_volume   81.80860806\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  Mg  Mg0  1  0.34532800  0.00000000  0.34532800  1.0\n  Mg  Mg1  1  0.75387000  0.75838100  0.99549000  1.0\n  Mg  Mg2  1  0.23710900  0.24161900  0.99549000  1.0\n  Zn  Zn3  1  0.83035900  0.50000000  0.33035900  1.0\n", "composition": {"Mg": 3.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1094427"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.8076801648965453, "energy_above_hull": 0.07672283615000008, "formation_energy_per_atom": 0.023595843750000123, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.26e-05, "volume": 81.80860806051017}, "record_id": "mp-1094427", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.855574058294627, "alpha": 148.98542049323825, "b": 5.855574058294627, "beta": 127.01544510107169, "c": 5.855574058294627, "gamma": 62.67311290388418, "matrix": [[-1.565552, 2.612038, 5.001405], [1.565552, -2.612038, 5.001405], [1.565552, 2.612038, -5.001405]], "pbc": [true, true, true], "volume": 81.80860806051017}, "properties": {}, "sites": [{"abc": [0.345328, 0.0, 0.345328], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 1.8040197169280001, 0.0]}, {"abc": [0.75387, 0.758381, 0.99549], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.565553565552, 2.5884748052020004, 2.584531049205]}, {"abc": [0.237109, 0.241619, 0.99549], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5655520000000003, 2.58847741724, -2.58453605061]}, {"abc": [0.830359, 0.5, 0.330359], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.220446049250313e-16, 1.7258205232839998, 5.001405]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "I 2 -2", "number": 44, "point_group": "mm2", "symbol": "Imm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.25175393\n_cell_length_b   5.25175393\n_cell_length_c   5.25175393\n_cell_angle_alpha   131.73332835\n_cell_angle_beta   131.73332835\n_cell_angle_gamma   70.65053325\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg3Zn\n_chemical_formula_sum   'Mg3 Zn1'\n_cell_volume   79.02295062\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  Mg  Mg0  1  0.50000000  0.50000000  -0.00000000  1.0\n  Mg  Mg1  1  0.25000000  0.75000000  0.50000000  1.0\n  Mg  Mg2  1  0.75000000  0.25000000  0.50000000  1.0\n  Zn  Zn3  1  -0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1094433"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.9066543878125226, "energy_above_hull": 0.06394395365000038, "formation_energy_per_atom": 0.010816961250000423, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 79.02295062405095}, "record_id": "mp-1094433", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.251753929214784, "alpha": 131.73332834691914, "b": 5.251753929214784, "beta": 131.73332834691914, "c": 5.251753929214784, "gamma": 70.65053325152853, "matrix": [[-2.14723997, 2.14723997, 4.28481509], [2.14723997, -2.14723997, 4.28481509], [2.14723997, 2.14723997, -4.28481509]], "pbc": [true, true, true], "volume": 79.02295062405095}, "properties": {}, "sites": [{"abc": [0.5, 0.5, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 4.28481509]}, {"abc": [0.25, 0.75, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.14723997, 0.0, 2.142407545]}, {"abc": [0.75, 0.25, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 2.14723997, 2.142407545]}, {"abc": [-0.0, -0.0, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "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"}}}
{"cif": "# generated using pymatgen\ndata_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.13866728\n_cell_length_b   6.13866728\n_cell_length_c   4.78748990\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998729\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg3Zn\n_chemical_formula_sum   'Mg6 Zn2'\n_cell_volume   156.23802776\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  Mg  Mg0  1  0.65813068  0.82906484  0.75000000  1.0\n  Mg  Mg1  1  0.17093516  0.34186932  0.75000000  1.0\n  Mg  Mg2  1  0.17093516  0.82906484  0.75000000  1.0\n  Mg  Mg3  1  0.82906484  0.65813068  0.25000000  1.0\n  Mg  Mg4  1  0.82906484  0.17093516  0.25000000  1.0\n  Mg  Mg5  1  0.34186932  0.17093516  0.25000000  1.0\n  Zn  Zn6  1  0.66666700  0.33333300  0.75000000  1.0\n  Zn  Zn7  1  0.33333300  0.66666700  0.25000000  1.0\n", "composition": {"Mg": 6.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1094451"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.9402880906568925, "energy_above_hull": 0.026793507400000305, "formation_energy_per_atom": -0.026333484999999657, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 156.2380277627654}, "record_id": "mp-1094451", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.138667280672365, "alpha": 90.0, "b": 6.138667280672365, "beta": 90.0, "c": 4.7874899, "gamma": 119.99998728979972, "matrix": [[3.06933423, -5.31624147, 0.0], [3.06933423, 5.31624147, -0.0], [0.0, -0.0, 4.7874899]], "pbc": [true, true, true], "volume": 156.2380277627654}, "properties": {}, "sites": [{"abc": [0.65813068, 0.82906484, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.564700116238649, 0.9087272700316156, 3.5906174249999996]}, {"abc": [0.17093516, 0.34186932, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5739683437613503, 0.908727270031615, 3.5906174249999996]}, {"abc": [0.17093516, 0.82906484, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.06933423, 3.4987762974538295, 3.5906174249999996]}, {"abc": [0.82906484, 0.65813068, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.564700116238649, -0.9087272700316156, 1.196872475]}, {"abc": [0.82906484, 0.17093516, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.06933423, -3.4987762974538295, 1.196872475]}, {"abc": [0.34186932, 0.17093516, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5739683437613503, -0.908727270031615, 1.196872475]}, {"abc": [0.666667, 0.333333, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.06933423, -1.77208403416098, 3.5906174249999996]}, {"abc": [0.333333, 0.666667, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.06933423, 1.77208403416098, 1.196872475]}], "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_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.85600067\n_cell_length_b   4.85600067\n_cell_length_c   4.85600067\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   Mg3Zn\n_chemical_formula_sum   'Mg3 Zn1'\n_cell_volume   80.96945478\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  Mg  Mg0  1  0.50000000  0.50000000  0.50000000  1.0\n  Mg  Mg1  1  0.25000000  0.25000000  0.25000000  1.0\n  Mg  Mg2  1  0.75000000  0.75000000  0.75000000  1.0\n  Zn  Zn3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1094464"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.8367784713804935, "energy_above_hull": 0.08568004365000026, "formation_energy_per_atom": 0.0325530512500003, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 5.24e-05, "volume": 80.96945478351442}, "record_id": "mp-1094464", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.856000665469683, "alpha": 59.99999999999999, "b": 4.856000665469683, "beta": 59.99999999999999, "c": 4.856000665469683, "gamma": 59.99999999999999, "matrix": [[0.0, 3.433711, 3.433711], [3.433711, 0.0, 3.433711], [3.433711, 3.433711, 0.0]], "pbc": [true, true, true], "volume": 80.96945478351442}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.433711, 3.433711, 3.433711]}, {"abc": [0.25, 0.25, 0.25], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.7168555, 1.7168555, 1.7168555]}, {"abc": [0.75, 0.75, 0.75], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.1505665, 5.1505665, 5.1505665]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "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_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.10134623\n_cell_length_b   3.10134623\n_cell_length_c   9.69360411\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00578636\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg3Zn\n_chemical_formula_sum   'Mg3 Zn1'\n_cell_volume   80.74043619\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  Mg  Mg0  1  0.00000246  -0.00000246  0.00000000  1.0\n  Mg  Mg1  1  0.66666555  0.33333445  0.73091340  1.0\n  Mg  Mg2  1  0.66666555  0.33333445  0.26908660  1.0\n  Zn  Zn3  1  0.00000045  -0.00000045  0.50000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1094789"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.8448249354728263, "energy_above_hull": 0.07127547865000006, "formation_energy_per_atom": 0.018148486250000095, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 80.74043618825135}, "record_id": "mp-1094789", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.1013462302807833, "alpha": 90.0, "b": 3.1013462302807833, "beta": 90.0, "c": 9.69360411, "gamma": 120.00578636218253, "matrix": [[1.55053749, -2.68592292, 0.0], [1.55053749, 2.68592292, 0.0], [0.0, 0.0, 9.69360411]], "pbc": [true, true, true], "volume": 80.74043618825135}, "properties": {}, "sites": [{"abc": [2.46e-06, -2.46e-06, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, -1.32147407664e-05, 0.0]}, {"abc": [0.66666555, 0.33333445, 0.7309134], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.55053749, -0.8953016414388121, 7.085185138294075]}, {"abc": [0.66666555, 0.33333445, 0.2690866], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.55053749, -0.8953016414388121, 2.6084189717059263]}, {"abc": [4.5e-07, -4.5e-07, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, -2.417330628e-06, 4.846802055]}], "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_Mg3Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.27551733\n_cell_length_b   4.27551733\n_cell_length_c   4.27551733\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   Mg3Zn\n_chemical_formula_sum   'Mg3 Zn1'\n_cell_volume   78.15666389\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  Mg  Mg0  1  0.50000000  0.50000000  0.00000000  1.0\n  Mg  Mg1  1  0.50000000  -0.00000000  0.50000000  1.0\n  Mg  Mg2  1  0.00000000  0.50000000  0.50000000  1.0\n  Zn  Zn3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg3Zn", "identifiers": {"materials_project_id": "mp-1094791"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.9388716805854496, "energy_above_hull": 0.05621799365000024, "formation_energy_per_atom": 0.0030910012500002804, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0028569, "volume": 78.15666389474114}, "record_id": "mp-1094791", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.27551733, "alpha": 90.0, "b": 4.27551733, "beta": 90.0, "c": 4.27551733, "gamma": 90.0, "matrix": [[4.27551733, 0.0, -0.0], [0.0, 4.27551733, -0.0], [0.0, 0.0, 4.27551733]], "pbc": [true, true, true], "volume": 78.15666389474114}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.137758665, 2.137758665, 0.0]}, {"abc": [0.5, -0.0, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.137758665, 0.0, 2.137758665]}, {"abc": [0.0, 0.5, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 2.137758665, 2.137758665]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "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_Mg4Zn7\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.28678015\n_cell_length_b   13.15152603\n_cell_length_c   14.14062712\n_cell_angle_alpha   102.30688484\n_cell_angle_beta   90.02732382\n_cell_angle_gamma   101.59502851\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg4Zn7\n_chemical_formula_sum   'Mg20 Zn35'\n_cell_volume   940.02577052\n_cell_formula_units_Z   5\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  Mg  Mg0  1  0.87447900  0.74810900  0.89900900  1.0\n  Mg  Mg1  1  0.03155800  0.07147700  0.71421800  1.0\n  Mg  Mg2  1  0.30256800  0.61011200  0.35176100  1.0\n  Mg  Mg3  1  0.44015000  0.88392100  0.95243700  1.0\n  Mg  Mg4  1  0.48096400  0.96748400  0.60215600  1.0\n  Mg  Mg5  1  0.78706500  0.57154100  0.02571900  1.0\n  Mg  Mg6  1  0.35757800  0.71731100  0.57387400  1.0\n  Mg  Mg7  1  0.55662400  0.11579900  0.04506800  1.0\n  Mg  Mg8  1  0.82238600  0.64536600  0.67627000  1.0\n  Mg  Mg9  1  0.51824600  0.03485500  0.39746800  1.0\n  Mg  Mg10  1  0.69285200  0.39156900  0.64871300  1.0\n  Mg  Mg11  1  0.17642900  0.35813600  0.32518200  1.0\n  Mg  Mg12  1  0.00462000  0.01428600  0.90421000  1.0\n  Mg  Mg13  1  0.83547400  0.67670800  0.25288800  1.0\n  Mg  Mg14  1  0.15928800  0.32356100  0.74752200  1.0\n  Mg  Mg15  1  0.64332200  0.28478800  0.42551200  1.0\n  Mg  Mg16  1  0.12329100  0.25165800  0.10392700  1.0\n  Mg  Mg17  1  0.21486900  0.42848200  0.97592600  1.0\n  Mg  Mg18  1  0.96775500  0.93037300  0.28507500  1.0\n  Mg  Mg19  1  0.99062000  0.98687200  0.09455700  1.0\n  Zn  Zn20  1  0.92097200  0.84527600  0.59317200  1.0\n  Zn  Zn21  1  0.51721200  0.03755200  0.82129600  1.0\n  Zn  Zn22  1  0.26193900  0.51778000  0.66220800  1.0\n  Zn  Zn23  1  0.82248900  0.13790500  0.24542900  1.0\n  Zn  Zn24  1  0.34205400  0.17485700  0.57214700  1.0\n  Zn  Zn25  1  0.68264400  0.86158300  0.75397400  1.0\n  Zn  Zn26  1  0.49808100  0.49879800  0.49958500  1.0\n  Zn  Zn27  1  0.08024800  0.15654800  0.40633700  1.0\n  Zn  Zn28  1  0.68866600  0.37759500  0.86007100  1.0\n  Zn  Zn29  1  0.16687600  0.82546800  0.42696900  1.0\n  Zn  Zn30  1  0.52290500  0.53614200  0.82597200  1.0\n  Zn  Zn31  1  0.33047400  0.66142400  0.96444600  1.0\n  Zn  Zn32  1  0.83014400  0.66361900  0.46713100  1.0\n  Zn  Zn33  1  0.40453800  0.80453300  0.26827400  1.0\n  Zn  Zn34  1  0.47870300  0.96368900  0.17748400  1.0\n  Zn  Zn35  1  0.30908500  0.62339600  0.13964300  1.0\n  Zn  Zn36  1  0.12942500  0.78738600  0.10211700  1.0\n  Zn  Zn37  1  0.83054100  0.17410300  0.57125400  1.0\n  Zn  Zn38  1  0.31884500  0.13909100  0.24668000  1.0\n  Zn  Zn39  1  0.16483400  0.33671600  0.53391700  1.0\n  Zn  Zn40  1  0.86877700  0.21539500  0.89836400  1.0\n  Zn  Zn41  1  0.65637300  0.82523200  0.42805600  1.0\n  Zn  Zn42  1  0.99911800  0.50136800  0.50113100  1.0\n  Zn  Zn43  1  0.35057400  0.70084600  0.78683700  1.0\n  Zn  Zn44  1  0.01360400  0.53597100  0.82383900  1.0\n  Zn  Zn45  1  0.65350900  0.78723900  0.10302500  1.0\n  Zn  Zn46  1  0.65046000  0.29979100  0.21387200  1.0\n  Zn  Zn47  1  0.34411900  0.21369800  0.89903200  1.0\n  Zn  Zn48  1  0.59656800  0.19685600  0.73169700  1.0\n  Zn  Zn49  1  0.98273400  0.46564900  0.17556000  1.0\n  Zn  Zn50  1  0.17832000  0.86220200  0.75333800  1.0\n  Zn  Zn51  1  0.99988800  0.00006100  0.49875000  1.0\n  Zn  Zn52  1  0.47158200  0.46399300  0.17595200  1.0\n  Zn  Zn53  1  0.66644000  0.34021100  0.03645700  1.0\n  Zn  Zn54  1  0.73780900  0.48341400  0.33820900  1.0\n", "composition": {"Mg": 20.0, "Zn": 35.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg4Zn7", "identifiers": {"materials_project_id": "mp-680671"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.90272201520036, "energy_above_hull": 0.0076379934491970225, "formation_energy_per_atom": -0.11926880999999981, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0001014, "volume": 940.0257705164337}, "record_id": "mp-680671", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.286780149463376, "alpha": 102.30688483694784, "b": 13.151526025090396, "beta": 90.02732381534653, "c": 14.140627118624053, "gamma": 101.59502851316266, "matrix": [[5.28678, -0.000278, -0.001226], [-2.64335, 12.576837, -2.792581], [-0.003465, -0.01269, 14.140621]], "pbc": [true, true, true], "volume": 940.0257705164337}, "properties": {}, "sites": [{"abc": [0.874479, 0.748109, 0.899009], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6425490962850002, 9.397193421861001, 10.622318454005999]}, {"abc": [0.031558, 0.071477, 0.714218], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.024573290079999983, 0.8898823787049999, 9.899842047133]}, {"abc": [0.302568, 0.610112, 0.351761], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.014347956024999905, 7.668731214749999, 3.2699608561409996]}, {"abc": [0.44015, 0.883921, 0.952437], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.012836552554999664, 11.104721550646998, 10.999090029376]}, {"abc": [0.480964, 0.967484, 0.602156], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.016734446019999964, 12.160113500476001, 5.812492680807999]}, {"abc": [0.787065, 0.571541, 0.025719], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6501674820150005, 7.187632817636999, -1.233356847512]}, {"abc": [0.357578, 0.717311, 0.573874], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.007656286419999856, 9.014121657562999, 6.111347275435]}, {"abc": [0.556624, 0.115799, 0.045068], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.63649518345, 1.455658493371, 0.3132289989849999]}, {"abc": [0.822386, 0.645366, 0.67627], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.63950236543, 8.107852497734, 7.759632688788001]}, {"abc": [0.518246, 0.034855, 0.397468], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6463413970100005, 0.433177712327, 5.522473567276999]}, {"abc": [0.692852, 0.391569, 0.648713], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6256543898650007, 4.916274706427, 8.078867084632]}, {"abc": [0.176429, 0.358136, 0.325182], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.01506424260999997, 4.500042488989999, 3.5979353270520003]}, {"abc": [0.00462, 0.014286, 0.90421], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.016471062149999997, 0.168196984122, 12.746190438123998]}, {"abc": [0.835474, 0.676708, 0.252888], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6273148850000005, 8.507404802103999, 1.6852071689759998]}, {"abc": [0.159288, 0.323561, 0.747522], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.015754520439999715, 4.059843620313, 9.666659703133]}, {"abc": [0.643322, 0.284788, 0.425512], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6468331242799996, 3.5761536647599996, 5.220921652352]}, {"abc": [0.123291, 0.251658, 0.103927], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.013767888374999867, 3.163708537218, 0.7666658146030001]}, {"abc": [0.214869, 0.428482, 0.975926], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-4.4346469999775005e-05, 5.376504036912, 12.603365568609998]}, {"abc": [0.967755, 0.930373, 0.285075], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6560185244750008, 11.697262932561001, 1.431809101232]}, {"abc": [0.99062, 0.986872, 0.094557], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.6282142623950002, 12.410252963173999, -1.4200397968550003]}, {"abc": [0.920972, 0.845276, 0.593172], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.6325606945800004, 10.623115089115998, 6.026189630784]}, {"abc": [0.517212, 0.037552, 0.821296], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.63227718752, 0.46171935184800006, 11.508134361191999]}, {"abc": [0.261939, 0.51778, 0.662208], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.013845552700000163, 6.503558423298, 7.917768623773999]}, {"abc": [0.822489, 0.137905, 0.245429], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.9829368021850007, 1.7310655605329999, 3.08439921709]}, {"abc": [0.342054, 0.174857, 0.572147], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3441735058150002, 2.191792350867, 7.601792189165999]}, {"abc": [0.682644, 0.861583, 0.753974], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3289107033600005, 10.826231247878999, 8.254783340587]}, {"abc": [0.498081, 0.498798, 0.499585], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3130159138550004, 6.266822941758, 5.670897677340999]}, {"abc": [0.080248, 0.156548, 0.406337], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.009034407935000061, 1.9636999532019999, 5.308586160841]}, {"abc": [0.688666, 0.377595, 0.860071], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.639729746215, 4.737845016877, 11.10662911688]}, {"abc": [0.166876, 0.825468, 0.426969], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.301243586105, 10.376311856577999, 3.732215964864999]}, {"abc": [0.522905, 0.536142, 0.825972], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3444107472200002, 6.732343590584, 10.18189596458]}, {"abc": [0.330474, 0.661424, 0.964446], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.004573602069999953, 8.306291144375999, 11.790380104498]}, {"abc": [0.830144, 0.663619, 0.467131], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.632992803755, 8.340069320681, 4.751294861168]}, {"abc": [0.404538, 0.804533, 0.268274], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.011111532679999977, 10.114963543497, 1.5463414248929999]}, {"abc": [0.478703, 0.963689, 0.177484], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.017184853869999805, 12.117774120299, -0.1820325036230006]}, {"abc": [0.309085, 0.623396, 0.139643], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.014273283294999745, 7.838491883151999, 0.23337597501699991]}, {"abc": [0.129425, 0.787386, 0.102117], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3974491170049996, 9.901493533201998, -0.755000063659]}, {"abc": [0.830541, 0.174103, 0.571254], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.9286929878200003, 2.182184948553, 7.590671335624999]}, {"abc": [0.318845, 0.139091, 0.24668], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3171424280500001, 1.7461058270569998, 3.099394600439]}, {"abc": [0.164834, 0.336716, 0.533917], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.020467166484999924, 4.2280010167099995, 6.609409151976999]}, {"abc": [0.868777, 0.215395, 0.898364], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.020555663550001, 2.6973460464490002, 12.100851738947]}, {"abc": [0.656373, 0.825232, 0.428056], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2872394277000005, 10.373193848849999, 3.747645745686]}, {"abc": [0.999118, 0.501368, 0.501131], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.9550895383249998, 6.2989865058220005, 5.684967872874999]}, {"abc": [0.350574, 0.700846, 0.786837], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.0019000525849998274, 8.804343482999998, 9.168764778527]}, {"abc": [0.013604, 0.535971, 0.823839], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3476921898649998, 6.730361604904999, 10.152835954363999]}, {"abc": [0.653509, 0.787239, 0.103025], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3736531187450005, 9.899487520291, -0.7423923973680002]}, {"abc": [0.65046, 0.299791, 0.213872], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.645645312470001, 3.7675276775069997, 2.186294779981]}, {"abc": [0.344119, 0.213698, 0.899032], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.25128769264, 2.6761405320639997, 12.115679914440001]}, {"abc": [0.596568, 0.196856, 0.731697], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.6310291333349998, 2.4663747436379997, 9.796182246133]}, {"abc": [0.982734, 0.465649, 0.17556], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.9640168569700003, 5.853890515760999, 1.1809600408069996]}, {"abc": [0.17832, 0.862202, 0.753338], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3389733632699998, 10.834164582894001, 8.244679599216]}, {"abc": [0.999888, 6.1e-05, 0.49875], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.28429846754, -0.005839919307, 7.051238513621]}, {"abc": [0.471582, 0.463993, 0.175952], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.26604471573, 5.833200399465, 1.191754350727]}, {"abc": [0.66644, 0.340211, 0.036457], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.6238985928450007, 4.278130382956999, -0.4353592102339999]}, {"abc": [0.737809, 0.483414, 0.338209], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.6216295739350004, 6.075322098406001, 3.4316079824209993]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg4Zn7\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   13.15153151\n_cell_length_b   13.15153151\n_cell_length_c   14.14062752\n_cell_angle_alpha   77.68749914\n_cell_angle_beta   77.68749914\n_cell_angle_gamma   23.19028142\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg4Zn7\n_chemical_formula_sum   'Mg20 Zn35'\n_cell_volume   940.02589769\n_cell_formula_units_Z   5\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  Mg  Mg0  1  0.12736900  0.12736900  0.89754100  1.0\n  Mg  Mg1  1  0.96568500  0.96568500  0.71275000  1.0\n  Mg  Mg2  1  0.69636700  0.69636700  0.35029400  1.0\n  Mg  Mg3  1  0.55946300  0.55946300  0.95097000  1.0\n  Mg  Mg4  1  0.51768100  0.51768100  0.60068800  1.0\n  Mg  Mg5  1  0.21565300  0.21565300  0.02425100  1.0\n  Mg  Mg6  1  0.64276800  0.64276800  0.57240600  1.0\n  Mg  Mg7  1  0.44053700  0.44053700  0.04903000  1.0\n  Mg  Mg8  1  0.17874000  0.17874000  0.67480200  1.0\n  Mg  Mg9  1  0.48231900  0.48231900  0.39931200  1.0\n  Mg  Mg10  1  0.30363300  0.30363300  0.64970600  1.0\n  Mg  Mg11  1  0.82126000  0.82126000  0.32519800  1.0\n  Mg  Mg12  1  0.99428000  0.99428000  0.90274200  1.0\n  Mg  Mg13  1  0.16306900  0.16306900  0.25142000  1.0\n  Mg  Mg14  1  0.83693100  0.83693100  0.74858000  1.0\n  Mg  Mg15  1  0.35723200  0.35723200  0.42759400  1.0\n  Mg  Mg16  1  0.87263100  0.87263100  0.10245900  1.0\n  Mg  Mg17  1  0.78434700  0.78434700  0.97574900  1.0\n  Mg  Mg18  1  0.03431500  0.03431500  0.28725000  1.0\n  Mg  Mg19  1  0.00572000  0.00572000  0.09725800  1.0\n  Zn  Zn20  1  0.07878500  0.07878500  0.59170500  1.0\n  Zn  Zn21  1  0.48264700  0.48264700  0.81982800  1.0\n  Zn  Zn22  1  0.74253300  0.74253300  0.66074000  1.0\n  Zn  Zn23  1  0.17751100  0.68743000  0.24396100  1.0\n  Zn  Zn24  1  0.65794600  0.17004300  0.57067900  1.0\n  Zn  Zn25  1  0.31257000  0.82248900  0.75603900  1.0\n  Zn  Zn26  1  0.50191900  0.00212900  0.49811700  1.0\n  Zn  Zn27  1  0.92121500  0.92121500  0.40829500  1.0\n  Zn  Zn28  1  0.31262600  0.31262600  0.85860300  1.0\n  Zn  Zn29  1  0.82995700  0.34205400  0.42932100  1.0\n  Zn  Zn30  1  0.47709500  0.98960900  0.82450500  1.0\n  Zn  Zn31  1  0.67071100  0.67071100  0.96297800  1.0\n  Zn  Zn32  1  0.16961400  0.16961400  0.46566400  1.0\n  Zn  Zn33  1  0.59915700  0.59915700  0.26680600  1.0\n  Zn  Zn34  1  0.51735300  0.51735300  0.18017200  1.0\n  Zn  Zn35  1  0.68737400  0.68737400  0.14139700  1.0\n  Zn  Zn36  1  0.87057500  0.34488500  0.10064900  1.0\n  Zn  Zn37  1  0.17004300  0.65794600  0.57067900  1.0\n  Zn  Zn38  1  0.68743000  0.17751100  0.24396100  1.0\n  Zn  Zn39  1  0.83038600  0.83038600  0.53433600  1.0\n  Zn  Zn40  1  0.12942500  0.65511500  0.89935100  1.0\n  Zn  Zn41  1  0.34205400  0.82995700  0.42932100  1.0\n  Zn  Zn42  1  0.99787100  0.49808100  0.50188300  1.0\n  Zn  Zn43  1  0.65100000  0.65100000  0.78536900  1.0\n  Zn  Zn44  1  0.98960900  0.47709500  0.82450500  1.0\n  Zn  Zn45  1  0.34488500  0.87057500  0.10064900  1.0\n  Zn  Zn46  1  0.34900000  0.34900000  0.21463100  1.0\n  Zn  Zn47  1  0.65511500  0.12942500  0.89935100  1.0\n  Zn  Zn48  1  0.40084300  0.40084300  0.73319400  1.0\n  Zn  Zn49  1  0.01039100  0.52290500  0.17549500  1.0\n  Zn  Zn50  1  0.82248900  0.31257000  0.75603900  1.0\n  Zn  Zn51  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn52  1  0.52290500  0.01039100  0.17549500  1.0\n  Zn  Zn53  1  0.32928900  0.32928900  0.03702200  1.0\n  Zn  Zn54  1  0.25746700  0.25746700  0.33926000  1.0\n", "composition": {"Mg": 20.0, "Zn": 35.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg4Zn7", "identifiers": {"materials_project_id": "mp-935148"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.902721351914369, "energy_above_hull": 0.007840319994651512, "formation_energy_per_atom": -0.11906648345454533, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0143351, "volume": 940.0258976919101}, "record_id": "mp-935148", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 13.15153151482446, "alpha": 77.6874991403711, "b": 13.15153151482446, "beta": 77.6874991403711, "c": 14.140627518128396, "gamma": 23.19028142427175, "matrix": [[2.64339, 12.883139, 0.0], [-2.64339, 12.883139, 0.0], [0.0, 3.078217, 13.801519]], "pbc": [true, true, true], "volume": 940.0258976919101}, "properties": {}, "sites": [{"abc": [0.127369, 0.127369, 0.897541], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 6.044651026979, 12.387429164779002]}, {"abc": [0.965685, 0.965685, 0.71275], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 27.07610733718, 9.83703266725]}, {"abc": [0.696367, 0.696367, 0.350294], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 19.021066657823997, 4.8345892965860005]}, {"abc": [0.559463, 0.559463, 0.95097], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 17.342571209204, 13.124830523430001]}, {"abc": [0.517681, 0.517681, 0.600688], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 15.187760574614, 8.290406845072]}, {"abc": [0.215653, 0.215653, 0.024251], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 5.631224990001, 0.33470063726900007]}, {"abc": [0.642768, 0.642768, 0.572406], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 18.323728857606, 7.900072284714]}, {"abc": [0.440537, 0.440537, 0.04903], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 11.501923790796, 0.67668847657]}, {"abc": [0.17874, 0.17874, 0.674802], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 6.682651517754, 9.313292624238]}, {"abc": [0.482319, 0.482319, 0.399312], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 13.656734425386, 5.511112154928]}, {"abc": [0.303633, 0.303633, 0.649706], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 9.823428342176, 8.966929703414001]}, {"abc": [0.82126, 0.82126, 0.325198], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 22.161843482246002, 4.488226375762]}, {"abc": [0.99428, 0.99428, 0.902742], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 28.397730660854002, 12.459210865098001]}, {"abc": [0.163069, 0.163069, 0.25142], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.975606505321999, 3.46997790698]}, {"abc": [0.836931, 0.836931, 0.74858], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 23.868888494678, 10.33154109302]}, {"abc": [0.357232, 0.357232, 0.427594], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 10.520766142394, 5.901446715286]}, {"abc": [0.872631, 0.872631, 0.102459], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 22.799843973021, 1.414089835221]}, {"abc": [0.784347, 0.784347, 0.975749], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 23.213270009999, 13.466818362731]}, {"abc": [0.034315, 0.034315, 0.28725], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 1.76838766282, 3.9644863327500004]}, {"abc": [0.00572, 0.00572, 0.097258], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.446764339146, 1.342308134902]}, {"abc": [0.078785, 0.078785, 0.591705], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.8513926022150002, 8.166427799895]}, {"abc": [0.482647, 0.482647, 0.819828], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 14.959625264542, 11.314871718732]}, {"abc": [0.742533, 0.742533, 0.66074], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 21.166212802754, 9.11921566406]}, {"abc": [0.177511, 0.68743, 0.243961], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.34791478541, 11.894120027336001, 3.3670323767590005]}, {"abc": [0.657946, 0.170043, 0.570679], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2897179111700001, 12.423771176814, 7.876237061401001]}, {"abc": [0.31257, 0.822489, 0.756039], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3479147854100002, 16.950374972664, 10.434486623241002]}, {"abc": [0.501919, 0.002129, 0.498117], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3211398881, 8.027032664061, 6.874771239723]}, {"abc": [0.921215, 0.921215, 0.408295], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 24.993102397785, 5.635091200105]}, {"abc": [0.312626, 0.312626, 0.858603], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 10.698174776879, 11.850025617957002]}, {"abc": [0.829957, 0.342054, 0.429321], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.28971791117, 16.420723823185998, 5.925281938599]}, {"abc": [0.477095, 0.989609, 0.824505], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.35477438246, 21.433756811440997, 11.379421423095001]}, {"abc": [0.670711, 0.670711, 0.962978], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 20.245981333883996, 13.290559163582001]}, {"abc": [0.169614, 0.169614, 0.465664], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 5.803736317779999, 6.426870543616]}, {"abc": [0.599157, 0.599157, 0.266806], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 16.259332592548, 3.682328078314]}, {"abc": [0.517353, 0.517353, 0.180172], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 13.884869735457999, 2.486647281268]}, {"abc": [0.687374, 0.687374, 0.141397], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 18.146320223121002, 1.951493382043]}, {"abc": [0.870575, 0.344885, 0.100649], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3896036891000003, 15.968759591772999, 1.389109085831]}, {"abc": [0.170043, 0.657946, 0.570679], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.2897179111700001, 12.423771176814, 7.876237061401001]}, {"abc": [0.68743, 0.177511, 0.243961], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.34791478541, 11.894120027336001, 3.3670323767590005]}, {"abc": [0.830386, 0.830386, 0.534336], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 23.040758682219998, 7.3746484563840005]}, {"abc": [0.129425, 0.655115, 0.899351], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3896036890999999, 12.875735408227001, 12.412409914169]}, {"abc": [0.342054, 0.829957, 0.429321], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.28971791117, 16.420723823185998, 5.925281938599]}, {"abc": [0.997871, 0.498081, 0.501883], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3211398881, 20.817462335939, 6.926747760277]}, {"abc": [0.651, 0.651, 0.785369], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 19.191383185073, 10.839285175511]}, {"abc": [0.989609, 0.477095, 0.824505], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.35477438246, 21.433756811440997, 11.379421423095001]}, {"abc": [0.344885, 0.870575, 0.100649], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3896036891000003, 15.968759591772999, 1.389109085831]}, {"abc": [0.349, 0.349, 0.214631], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 9.653111814927, 2.962233824489]}, {"abc": [0.655115, 0.129425, 0.899351], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3896036890999999, 12.875735408227001, 12.412409914169]}, {"abc": [0.400843, 0.400843, 0.733194], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 12.585162407452, 10.119190921686]}, {"abc": [0.010391, 0.522905, 0.175495], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.35477438246, 7.410738188558999, 2.422097576905]}, {"abc": [0.822489, 0.31257, 0.756039], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3479147854100002, 16.950374972664, 10.434486623241002]}, {"abc": [0.0, 0.0, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.5391085, 6.9007595]}, {"abc": [0.522905, 0.010391, 0.175495], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.35477438246, 7.410738188558999, 2.422097576905]}, {"abc": [0.329289, 0.329289, 0.037022], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 8.598513666116, 0.510959836418]}, {"abc": [0.257467, 0.257467, 0.33926], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.678282197246, 4.68230333594]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C 2y", "number": 5, "point_group": "2", "symbol": "C2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg4Zn7\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.12554855\n_cell_length_b   13.02707350\n_cell_length_c   13.98595186\n_cell_angle_alpha   102.19509997\n_cell_angle_beta   89.96117096\n_cell_angle_gamma   101.37970287\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg4Zn7\n_chemical_formula_sum   'Mg20 Zn35'\n_cell_volume   894.01732462\n_cell_formula_units_Z   5\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  Mg  Mg0  1  0.87331303  0.75139916  0.90196122  1.0\n  Mg  Mg1  1  0.03579016  0.07008165  0.71323337  1.0\n  Mg  Mg2  1  0.30473719  0.60894349  0.35195342  1.0\n  Mg  Mg3  1  0.44169586  0.88537399  0.95387277  1.0\n  Mg  Mg4  1  0.48418145  0.97043868  0.60296861  1.0\n  Mg  Mg5  1  0.78591340  0.57339754  0.02722681  1.0\n  Mg  Mg6  1  0.35775288  0.71686567  0.57745917  1.0\n  Mg  Mg7  1  0.55732588  0.11667084  0.04573354  1.0\n  Mg  Mg8  1  0.81964328  0.64477289  0.67657799  1.0\n  Mg  Mg9  1  0.51457288  0.03086100  0.39641694  1.0\n  Mg  Mg10  1  0.69317743  0.39108670  0.64794438  1.0\n  Mg  Mg11  1  0.17728582  0.35556801  0.32336700  1.0\n  Mg  Mg12  1  0.00637923  0.01605399  0.90487073  1.0\n  Mg  Mg13  1  0.83934301  0.68028466  0.25244874  1.0\n  Mg  Mg14  1  0.16019615  0.32274737  0.74910023  1.0\n  Mg  Mg15  1  0.64080093  0.28342054  0.42253661  1.0\n  Mg  Mg16  1  0.12160603  0.24836090  0.09754326  1.0\n  Mg  Mg17  1  0.21258407  0.42998617  0.97430919  1.0\n  Mg  Mg18  1  0.96377780  0.93064080  0.28630980  1.0\n  Mg  Mg19  1  0.99340453  0.98457247  0.09472513  1.0\n  Zn  Zn20  1  0.91989168  0.84344853  0.59256224  1.0\n  Zn  Zn21  1  0.51814181  0.03731168  0.82228103  1.0\n  Zn  Zn22  1  0.25752619  0.51775875  0.66307665  1.0\n  Zn  Zn23  1  0.82042655  0.13854266  0.24532267  1.0\n  Zn  Zn24  1  0.34151565  0.17566576  0.57180562  1.0\n  Zn  Zn25  1  0.68069924  0.86195516  0.75376052  1.0\n  Zn  Zn26  1  0.49902271  0.50032071  0.50029727  1.0\n  Zn  Zn27  1  0.07674107  0.15687466  0.40707427  1.0\n  Zn  Zn28  1  0.68657283  0.37635519  0.86009192  1.0\n  Zn  Zn29  1  0.16653694  0.82513922  0.42829057  1.0\n  Zn  Zn30  1  0.52041330  0.53616423  0.82643182  1.0\n  Zn  Zn31  1  0.33070738  0.66248115  0.96485456  1.0\n  Zn  Zn32  1  0.83099872  0.66239827  0.46452859  1.0\n  Zn  Zn33  1  0.40258929  0.80598158  0.26844609  1.0\n  Zn  Zn34  1  0.48145474  0.96375001  0.17736016  1.0\n  Zn  Zn35  1  0.31200635  0.62509607  0.14080308  1.0\n  Zn  Zn36  1  0.13456751  0.78807614  0.10280172  1.0\n  Zn  Zn37  1  0.83254067  0.17568896  0.57187462  1.0\n  Zn  Zn38  1  0.31620116  0.13843579  0.24584471  1.0\n  Zn  Zn39  1  0.16771839  0.33801625  0.53545067  1.0\n  Zn  Zn40  1  0.86510519  0.21340819  0.89764225  1.0\n  Zn  Zn41  1  0.65722184  0.82507011  0.42809046  1.0\n  Zn  Zn42  1  0.99855503  0.50020879  0.50051649  1.0\n  Zn  Zn43  1  0.34635281  0.70011750  0.78707392  1.0\n  Zn  Zn44  1  0.01168714  0.53616303  0.82668230  1.0\n  Zn  Zn45  1  0.65383506  0.78812414  0.10258328  1.0\n  Zn  Zn46  1  0.64869385  0.30071598  0.21305628  1.0\n  Zn  Zn47  1  0.34531716  0.21347773  0.89770380  1.0\n  Zn  Zn48  1  0.59615157  0.19545510  0.73181250  1.0\n  Zn  Zn49  1  0.98580956  0.46483472  0.17392729  1.0\n  Zn  Zn50  1  0.17719773  0.86217879  0.75407331  1.0\n  Zn  Zn51  1  0.99939017  0.00042405  0.49990235  1.0\n  Zn  Zn52  1  0.47727634  0.46487805  0.17414648  1.0\n  Zn  Zn53  1  0.66784667  0.33911033  0.03552665  1.0\n  Zn  Zn54  1  0.74049471  0.48264118  0.33746192  1.0\n", "composition": {"Mg": 20.0, "Zn": 35.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg4Zn7", "identifiers": {"materials_project_id": "mp-2047263"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.155028781958862, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.1464790320909091, "is_stable": true, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0, "volume": 894.0173246162449}, "record_id": "mp-2047263", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.125548551159972, "alpha": 102.19509996799457, "b": 13.027073496464602, "beta": 89.9611709637711, "c": 13.985951861543283, "gamma": 101.37970287049322, "matrix": [[5.12554811, -0.00119203, 0.00176109], [-2.56652697, 12.47180203, -2.751679], [0.00467294, 0.00076441, 13.98595106]], "pbc": [true, true, true], "volume": 894.0173246162448}, "properties": {}, "sites": [{"abc": [0.87331303, 0.75139916, 0.90196122], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5519365516429153, 9.370950021873323, 10.548714174592256]}, {"abc": [0.03579016, 0.07008165, 0.71323337], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.006910638861504946, 0.8745470045116863, 9.782467832281396]}, {"abc": [0.30473719, 0.60894349, 0.35195342], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0007198951747404338, 7.5945284355784715, 3.2473229635178518]}, {"abc": [0.44169586, 0.88537399, 0.95387277], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.003945453231842004, 11.04241176095932, 10.905330729419513]}, {"abc": [0.48418145, 0.97043868, 0.60296861], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.0061440928702267625, 12.103002855635845, 5.763606420742287]}, {"abc": [0.7859134, 0.57339754, 0.02722681], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5567239203015415, 7.150384583464636, -1.1956290730601355]}, {"abc": [0.35775288, 0.71686567, 0.57745917], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.0034770459372031937, 8.940621681741902, 6.10436151582773]}, {"abc": [0.55732588, 0.11667084, 0.04573354], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5573754635039405, 1.4544662291603803, 0.31956785293420154]}, {"abc": [0.81964328, 0.64477289, 0.67657799], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5494556613209483, 8.041019981993243, 7.689822100814834]}, {"abc": [0.51457288, 0.030861, 0.39641694], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.560114896295691, 0.384581921210789, 5.460254565729196]}, {"abc": [0.69317743, 0.3910867, 0.64794438], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5522075082839355, 4.877224905837633, 7.9871940765529414]}, {"abc": [0.17728582, 0.35556801, 0.323367], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.002376813114449293, 4.434609683873515, 3.5444982265149734]}, {"abc": [0.00637923, 0.01605399, 0.90487073], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.004277541412308802, 0.20090627307278208, 12.611313552655425]}, {"abc": [0.83934301, 0.68028466, 0.25244874], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5573037291950267, 8.483568055858992, 1.6602888684360053]}, {"abc": [0.16019615, 0.32274737, 0.74910023], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.003746255311015965, 4.02562296543329, 9.589064115318317]}, {"abc": [0.64080093, 0.28342054, 0.42253661], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5590240241121123, 3.5343240033931584, 5.13082250854146]}, {"abc": [0.12160603, 0.2483609, 0.09754326], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.013671577110985185, 3.097437581800062, 0.6810399468051284]}, {"abc": [0.21258407, 0.42998617, 0.97430919], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.009408335441078351, 5.3631937529768905, 12.443831114048647]}, {"abc": [0.9637778, 0.9306408, 0.2863098], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.552712677184394, 11.605837824664109, 1.4451874043409898]}, {"abc": [0.99340453, 0.98457247, 0.09472513], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.565253557881405, 12.278281170862842, -1.3826568825612546]}, {"abc": [0.91989168, 0.84344853, 0.59256224], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.5529846695706566, 10.518679510677083, 5.968266893100836]}, {"abc": [0.51814181, 0.03731168, 0.82228103], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.563841811857798, 0.4653548056270783, 11.398624971195844]}, {"abc": [0.25752619, 0.51775875, 0.66307665], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.0057804019976356175, 6.457584512778024, 7.849505223285447]}, {"abc": [0.82042655, 0.13854266, 0.24532267], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.85070865747833, 1.7270861822713781, 3.0512907733953294]}, {"abc": [0.34151565, 0.17566576, 0.57180562], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3022759970012974, 2.1908985792032074, 7.514471074137975]}, {"abc": [0.68069924, 0.86195516, 0.75376052], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2802478156741006, 10.74989888242101, 8.171432603591082]}, {"abc": [0.49902271, 0.50032071, 0.50029727], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2760161713479032, 6.2396884288242, 5.62128996660387]}, {"abc": [0.07674107, 0.15687466, 0.40707427], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.007380765862448671, 1.9567293970286181, 5.261787258382053]}, {"abc": [0.68657283, 0.37635519, 0.86009192], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.5571554836860217, 4.6936664700970585, 10.994803943902609]}, {"abc": [0.16653694, 0.82513922, 0.42829057], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.2621475879364041, 10.29110187159464, 3.7198259742687885]}, {"abc": [0.5204133, 0.53616423, 0.82643182], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2951853158985307, 6.686945516608914, 10.083999631363056]}, {"abc": [0.33070738, 0.66248115, 0.96485456], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.0007104446019570703, 8.262677082762762, 11.672055593286828]}, {"abc": [0.83099872, 0.66239827, 0.46452859], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.5614316081014326, 8.260664603349767, 4.6756301800512805]}, {"abc": [0.40258929, 0.80598158, 0.26844609], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.0038282554556657526, 10.051768009950905, 1.5373802848882616]}, {"abc": [0.48145474, 0.96375001, 0.17736016], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.004942166959157882, 12.019260998516703, -0.17053226088495466]}, {"abc": [0.31200635, 0.62509607, 0.14080308], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.004464400600854017, 7.795810145124014, 0.24975072843865598]}, {"abc": [0.13456751, 0.78807614, 0.10280172], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3324060349061329, 9.828647776800405, -0.730515754539051]}, {"abc": [0.83254067, 0.17568896, 0.57187462], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.8189891392321655, 2.190602661200003, 7.516237005060788]}, {"abc": [0.31620116, 0.13843579, 0.24584471], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2665538869486987, 1.72635477163267, 3.0579980849293467]}, {"abc": [0.16771839, 0.33801625, 0.53545067], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.005377016192649742, 4.215881131417211, 6.558970016059906]}, {"abc": [0.86510519, 0.21340819, 0.89764225], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.8906150246775217, 2.6612396326333125, 11.968673271136332]}, {"abc": [0.65722184, 0.82507011, 0.42809046], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2530579114410083, 10.289654881268916, 3.7180815544084034]}, {"abc": [0.99855503, 0.50020879, 0.50051649], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.8366813801082085, 6.237697294803552, 5.6255436560823515]}, {"abc": [0.34635281, 0.7001175, 0.78707392], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.017944506026560697, 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"xyz": [2.557382483216736, 2.437526087190991, 9.69831399255176]}, {"abc": [0.98580956, 0.46483472, 0.17392729], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.8606162333960663, 5.796284441700423, 1.1551987278015676]}, {"abc": [0.17719773, 0.86217879, 0.75407331], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.3010458880659446, 10.753288379513746, 8.174305199774125]}, {"abc": [0.99939017, 0.00042405, 0.49990235], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.1236700749218596, 0.0044794949418399, 6.992202968433526]}, {"abc": [0.47727634, 0.46487805, 0.17414648], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2539945654009605, 5.797431199287647, 1.157249505394929]}, {"abc": [0.66784667, 0.33911033, 0.03552665], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.552910443341545, 4.228547965748455, -0.4350726474262509]}, {"abc": [0.74049471, 0.48264118, 0.33746192], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.558306595307319, 6.018780515842701, 3.392956376021249]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg5Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.89836137\n_cell_length_b   5.89836137\n_cell_length_c   5.89836110\n_cell_angle_alpha   53.82432170\n_cell_angle_beta   53.82432170\n_cell_angle_gamma   53.82432497\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg5Zn\n_chemical_formula_sum   'Mg5 Zn1'\n_cell_volume   124.15947999\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  Mg  Mg0  1  0.33979269  0.00000000  0.66020731  1.0\n  Mg  Mg1  1  0.83329796  0.83329796  0.83329796  1.0\n  Mg  Mg2  1  -0.00000000  0.66020731  0.33979269  1.0\n  Mg  Mg3  1  0.66020731  0.33979269  0.00000000  1.0\n  Mg  Mg4  1  0.16670204  0.16670204  0.16670204  1.0\n  Zn  Zn5  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Mg": 5.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg5Zn", "identifiers": {"materials_project_id": "mp-1094425"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.5001007602575718, "energy_above_hull": 0.0622913607666673, "formation_energy_per_atom": 0.026873365833334144, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 2e-07, "volume": 124.15947998732311}, "record_id": "mp-1094425", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.89836136837234, "alpha": 53.82432170216777, "b": 5.89836136837234, "beta": 53.82432170216777, "c": 5.898361098191957, "gamma": 53.82432496523695, "matrix": [[5.25810582, -2.66973995, -0.12441309], [5.25810582, 2.66973995, -0.12441309], [4.00791528, 0.0, 4.3275026]], "pbc": [true, true, true], "volume": 124.15947998732311}, "properties": {}, "sites": [{"abc": [0.33979269, 0.0, 0.66020731], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.432720886599153, -0.9071581192109655, 2.8147741920416935]}, {"abc": [0.83329796, 0.83329796, 0.83329796], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [12.102925333217083, 0.0, 3.398752740286103]}, {"abc": [-0.0, 0.66020731, 0.33979269], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.833300213400848, 1.7625818307890344, 1.388315317958306]}, {"abc": [0.66020731, 0.33979269, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.25810582, -0.855423711578069, -0.12441309]}, {"abc": [0.16670204, 0.16670204, 0.16670204], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.421201586782917, 0.0, 0.6799236797138967]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.26206346, 0.0, 2.03933821]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 2\"", "number": 155, "point_group": "32", "symbol": "R32", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg5Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.08758209\n_cell_length_b   8.08758209\n_cell_length_c   4.96013277\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.54751076\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg5Zn\n_chemical_formula_sum   'Mg5 Zn1'\n_cell_volume   123.90816500\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  Mg  Mg0  1  0.00144924  0.99855076  0.50000000  1.0\n  Mg  Mg1  1  0.32852549  0.67147451  0.50000000  1.0\n  Mg  Mg2  1  0.66878003  0.33121997  0.50000000  1.0\n  Mg  Mg3  1  0.43790188  0.56209812  0.00000000  1.0\n  Mg  Mg4  1  0.11978833  0.88021167  -0.00000000  1.0\n  Zn  Zn5  1  0.77688702  0.22311298  0.00000000  1.0\n", "composition": {"Mg": 5.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg5Zn", "identifiers": {"materials_project_id": "mp-1094434"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.5051715543395274, "energy_above_hull": 0.030903457433334003, "formation_energy_per_atom": -0.004514537499999231, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 4e-07, "volume": 123.90816500043216}, "record_id": "mp-1094434", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 8.087582089098213, "alpha": 90.0, "b": 8.087582089098213, "beta": 90.0, "c": 4.96013277, "gamma": 157.5475107602999, "matrix": [[1.5745201, -7.93283496, 0.0], [1.5745201, 7.93283496, 0.0], [0.0, 0.0, 4.96013277]], "pbc": [true, true, true], "volume": 123.90816500043216}, "properties": {}, "sites": [{"abc": [0.00144924, 0.99855076, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5745201, 7.909841796525139, 2.480066385]}, {"abc": [0.32852549, 0.67147451, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5745201, 2.7205579753537394, 2.480066385]}, {"abc": [0.66878003, 0.33121997, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5745201, -2.677808245067698, 2.480066385]}, {"abc": [0.43790188, 0.56209812, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5745201, 0.9852282745725507, 0.0]}, {"abc": [0.11978833, 0.88021167, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5745201, 6.032312855951967, 0.0]}, {"abc": [0.77688702, 0.22311298, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5745201, -4.3929980644524385, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg5Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.11090186\n_cell_length_b   3.11090186\n_cell_length_c   15.36045300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999704\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg5Zn\n_chemical_formula_sum   'Mg5 Zn1'\n_cell_volume   128.73815769\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  Mg  Mg0  1  0.00000000  0.00000000  0.85029400  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.67341800  1.0\n  Mg  Mg2  1  0.00000000  0.00000000  0.50000000  1.0\n  Mg  Mg3  1  0.66666700  0.33333300  0.32658200  1.0\n  Mg  Mg4  1  0.00000000  0.00000000  0.14970600  1.0\n  Zn  Zn5  1  0.66666700  0.33333300  0.00000000  1.0\n", "composition": {"Mg": 5.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg5Zn", "identifiers": {"materials_project_id": "mp-1094450"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.411182635232325, "energy_above_hull": 0.08413968910000036, "formation_energy_per_atom": 0.04872169416666713, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0015376, "volume": 128.7381576881596}, "record_id": "mp-1094450", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.110901860843733, "alpha": 90.0, "b": 3.110901860843733, "beta": 90.0, "c": 15.360453, "gamma": 119.99999704056732, "matrix": [[1.555451, -2.69412, 0.0], [1.555451, 2.69412, 0.0], [0.0, 0.0, 15.360453]], "pbc": [true, true, true], "volume": 128.7381576881596}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.850294], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 13.060901023182]}, {"abc": [0.666667, 0.333333, 0.673418], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5554510000000001, -0.8980417960799999, 10.344005538353999]}, {"abc": [0.0, 0.0, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 7.6802265]}, {"abc": [0.666667, 0.333333, 0.326582], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5554510000000001, -0.8980417960799999, 5.016447461646]}, {"abc": [0.0, 0.0, 0.149706], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 2.299551976818]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5554510000000001, -0.8980417960799999, 0.0]}], "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_Mg5Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.95033583\n_cell_length_b   5.95033583\n_cell_length_c   7.27566676\n_cell_angle_alpha   74.92865559\n_cell_angle_beta   74.92865559\n_cell_angle_gamma   30.07859013\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg5Zn\n_chemical_formula_sum   'Mg5 Zn1'\n_cell_volume   124.34109978\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  Mg  Mg0  1  0.00515335  0.00515335  0.01468116  1.0\n  Mg  Mg1  1  0.32301886  0.32301886  0.33200995  1.0\n  Mg  Mg2  1  0.95181214  0.95181214  0.59160356  1.0\n  Mg  Mg3  1  0.66661950  0.66661950  0.66501123  1.0\n  Mg  Mg4  1  0.27652979  0.27652979  0.95063019  1.0\n  Zn  Zn5  1  0.61019936  0.61019936  0.27939790  1.0\n", "composition": {"Mg": 5.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg5Zn", "identifiers": {"materials_project_id": "mp-1094459"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.496448968579979, "energy_above_hull": 0.06507377910000023, "formation_energy_per_atom": 0.029655784166666994, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 124.34109978465061}, "record_id": "mp-1094459", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.950335830919622, "alpha": 74.9286555885271, "b": 5.950335830919622, "beta": 74.9286555885271, "c": 7.2756667590338076, "gamma": 30.078590125898245, "matrix": [[1.54400173, 5.7460396, 0.07472666], [-1.54400173, 5.7460396, 0.07472666], [0.0, 1.86764445, 7.03187251]], "pbc": [true, true, true], "volume": 124.34109978465061}, "properties": {}, "sites": [{"abc": [0.00515335, 0.00515335, 0.01468116], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.086641893338882, 0.10400623068553361]}, {"abc": [0.32301886, 0.32301886, 0.33200995], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.332234862675989, 2.38292788150109]}, {"abc": [0.95181214, 0.95181214, 0.59160356], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 12.043205601835728, 4.302332294721441]}, {"abc": [0.6666195, 0.6666195, 0.66501123], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 8.902848623161573, 4.775902684530028]}, {"abc": [0.27652979, 0.27652979, 0.95063019], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.953341446195314, 6.726038595431481]}, {"abc": [0.61019936, 0.61019936, 0.2793979], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.534275310185966, 2.0558867325756043]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg5Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.35023029\n_cell_length_b   5.35023029\n_cell_length_c   4.97302369\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998554\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg5Zn\n_chemical_formula_sum   'Mg5 Zn1'\n_cell_volume   123.28100742\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  Mg  Mg0  1  -0.00000000  0.68074061  0.50000000  1.0\n  Mg  Mg1  1  0.68074061  -0.00000000  0.50000000  1.0\n  Mg  Mg2  1  0.31925939  0.31925939  0.50000000  1.0\n  Mg  Mg3  1  0.66666700  0.33333300  0.00000000  1.0\n  Mg  Mg4  1  0.33333300  0.66666700  0.00000000  1.0\n  Zn  Zn5  1  0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Mg": 5.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg5Zn", "identifiers": {"materials_project_id": "mp-1094473"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.517915912596728, "energy_above_hull": 0.06063500576666714, "formation_energy_per_atom": 0.02521701083333383, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 4e-07, "volume": 123.28100742227093}, "record_id": "mp-1094473", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.350230290444247, "alpha": 90.0, "b": 5.350230290444247, "beta": 90.0, "c": 4.97302369, "gamma": 119.99998553759664, "matrix": [[2.67511573, -4.63343501, 0.0], [2.67511573, 4.63343501, -0.0], [-0.0, 0.0, 4.97302369]], "pbc": [true, true, true], "volume": 123.28100742227093}, "properties": {}, "sites": [{"abc": [-0.0, 0.68074061, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.8210599138607952, 3.154167375102756, 2.486511845]}, {"abc": [0.68074061, -0.0, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.8210599138607952, -3.154167375102756, 2.486511845]}, {"abc": [0.31925939, 0.31925939, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.7081116322784091, 0.0, 2.486511845]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.67511573, -1.5444814256233403, 0.0]}, {"abc": [0.333333, 0.666667, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.67511573, 1.5444814256233403, 0.0]}, {"abc": [0.0, -0.0, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 -2", "number": 189, "point_group": "-6m2", "symbol": "P-62m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mg7Zn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.28003875\n_cell_length_b   6.28003875\n_cell_length_c   4.93159268\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00014786\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mg7Zn\n_chemical_formula_sum   'Mg7 Zn1'\n_cell_volume   168.43868087\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  Mg  Mg0  1  0.99951046  0.49975573  0.50000000  1.0\n  Mg  Mg1  1  0.50024527  0.49975473  0.50000000  1.0\n  Mg  Mg2  1  0.50024427  0.00048954  0.50000000  1.0\n  Mg  Mg3  1  0.16212370  0.32424640  0.00000000  1.0\n  Mg  Mg4  1  0.16212270  0.83787730  -0.00000000  1.0\n  Mg  Mg5  1  0.67575360  0.83787630  0.00000000  1.0\n  Mg  Mg6  1  0.66666700  0.33333300  -0.00000000  1.0\n  Zn  Zn7  1  -0.00000000  0.00000000  0.50000000  1.0\n", "composition": {"Mg": 7.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "Mg7Zn", "identifiers": {"materials_project_id": "mp-1016279"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 2.322091412871851, "energy_above_hull": 0.05401655182499998, "formation_energy_per_atom": 0.02745305562500011, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 168.4386808725853}, "record_id": "mp-1016279", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.280038754887178, "alpha": 90.0, "b": 6.280038754887178, "beta": 90.0, "c": 4.93159268, "gamma": 120.0001478558257, "matrix": [[3.14001236, -5.43867715, -0.0], [3.14001236, 5.43867715, 0.0], [0.0, -0.0, 4.93159268]], "pbc": [true, true, true], "volume": 168.4386808725853}, "properties": {}, "sites": [{"abc": [0.99951046, 0.49975573, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.707714367530109, -2.71800463065542, 2.46579634]}, {"abc": [0.50024527, 0.49975473, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.14001236, -0.00266788868916068, 2.46579634]}, {"abc": [0.50024427, 0.00048954, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5723103524698918, -2.7180046306554195, 2.46579634]}, {"abc": [0.1621237, 0.3242464, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.527208125534436, 0.8817330239863049, 0.0]}, {"abc": [0.1621227, 0.8378773, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.14001236, 3.67521110202739, 0.0]}, {"abc": [0.6757536, 0.8378763, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [4.752816594465564, 0.8817330239863059, 0.0]}, {"abc": [0.666667, 0.333333, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.14001236, -1.8128960091181003, 0.0]}, {"abc": [-0.0, 0.0, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 2.46579634]}], "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_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.24375926\n_cell_length_b   5.24376577\n_cell_length_c   8.84977766\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00003154\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg6 Zn6'\n_cell_volume   210.74092576\n_cell_formula_units_Z   6\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  Mg  Mg0  1  0.33333300  0.66666700  0.43397240  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.56602760  1.0\n  Mg  Mg2  1  -0.00000000  0.00000000  0.50000000  1.0\n  Mg  Mg3  1  0.66666700  0.33333300  0.93397240  1.0\n  Mg  Mg4  1  0.33333300  0.66666700  0.06602760  1.0\n  Mg  Mg5  1  -0.00000000  0.00000000  -0.00000000  1.0\n  Zn  Zn6  1  0.82830538  0.17169462  0.25000000  1.0\n  Zn  Zn7  1  0.17169462  0.82830538  0.75000000  1.0\n  Zn  Zn8  1  0.65661076  0.82830538  0.75000000  1.0\n  Zn  Zn9  1  0.17169462  0.34338924  0.75000000  1.0\n  Zn  Zn10  1  0.34338924  0.17169462  0.25000000  1.0\n  Zn  Zn11  1  0.82830538  0.65661076  0.25000000  1.0\n", "composition": {"Mg": 6.0, "Zn": 6.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-583266"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.241423961482367, "energy_above_hull": 0.04893152480000018, "formation_energy_per_atom": -0.057322459999999964, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 210.74092575789993}, "record_id": "mp-583266", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.243759264595499, "alpha": 90.0, "b": 5.243765774676991, "beta": 90.0, "c": 8.84977766, "gamma": 120.00003153740984, "matrix": [[2.62187699, -4.54123026, 0.0], [2.62188303, 4.54123429, -0.0], [0.0, 0.0, 8.84977766]], "pbc": [true, true, true], "volume": 210.74092575789993}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.4339724], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.62188101666868, 1.5137491341548501, 3.840559250576584]}, {"abc": [0.666667, 0.333333, 0.5660276], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.62187900333132, -1.5137451041548498, 5.009218409423416]}, {"abc": [-0.0, 0.0, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 4.42488883]}, {"abc": [0.666667, 0.333333, 0.9339724], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.62187900333132, -1.5137451041548498, 8.265448080576585]}, {"abc": [0.333333, 0.666667, 0.0660276], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.62188101666868, 1.5137491341548501, 0.5843295794234161]}, {"abc": [-0.0, 0.0, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.82830538, 0.17169462, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.6218780270355047, -2.981819960424279, 2.212444415]}, {"abc": [0.17169462, 0.82830538, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.621881992964495, 2.9818239904242794, 6.637333245000001]}, {"abc": [0.65661076, 0.82830538, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.893272462510114, 0.7797081418938832, 6.637333245000001]}, {"abc": [0.17169462, 0.34338924, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.350488594525391, 0.7797061876818384, 6.637333245000001]}, {"abc": [0.34338924, 0.17169462, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3504875574898862, -0.7797041118938826, 2.212444415]}, {"abc": [0.82830538, 0.65661076, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.893271425474609, -0.7797021576818386, 2.212444415]}], "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_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.12748688\n_cell_length_b   4.83965900\n_cell_length_c   4.57911012\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   MgZn\n_chemical_formula_sum   'Mg2 Zn2'\n_cell_volume   69.30927352\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  Mg  Mg0  1  0.49999800  0.53000553  -0.00000000  1.0\n  Mg  Mg1  1  0.49999800  0.13666247  0.49999800  1.0\n  Zn  Zn2  1  0.00000000  0.01153358  -0.00000000  1.0\n  Zn  Zn3  1  0.00000000  0.65513242  0.49999800  1.0\n", "composition": {"Mg": 2.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-978268"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.298807200162982, "energy_above_hull": 0.033131127299999896, "formation_energy_per_atom": -0.07312285750000003, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 69.30927352286967}, "record_id": "mp-978268", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.12748688, "alpha": 90.0, "b": 4.839659, "beta": 90.0, "c": 4.57911012, "gamma": 90.0, "matrix": [[3.12748688, 0.0, 0.0], [0.0, 4.839659, 0.0], [0.0, 0.0, 4.57911012]], "pbc": [true, true, true], "volume": 69.30927352286967}, "properties": {}, "sites": [{"abc": [0.499998, 0.53000553, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.56373718502624, 2.5650460333142697, 0.0]}, {"abc": [0.499998, 0.13666247, 0.499998], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.56373718502624, 0.66139975289773, 2.28954590177976]}, {"abc": [0.0, 0.01153358, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.05581859424922, 0.0]}, {"abc": [0.0, 0.65513242, 0.499998], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.1706175126447804, 2.28954590177976]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-P 2a 2a", "number": 51, "point_group": "mmm", "symbol": "Pmma", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.16714832\n_cell_length_b   3.16714832\n_cell_length_c   13.17762100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000677\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   114.47335736\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.00000000  0.00000000  0.00861700  1.0\n  Mg  Mg1  1  0.00000000  0.00000000  0.67664900  1.0\n  Mg  Mg2  1  0.33333300  0.66666700  0.48265400  1.0\n  Zn  Zn3  1  0.33333300  0.66666700  0.84296800  1.0\n  Zn  Zn4  1  0.00000000  0.00000000  0.31668400  1.0\n  Zn  Zn5  1  0.33333300  0.66666700  0.17242800  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094429"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.9041469246619585, "energy_above_hull": 0.12369080563333346, "formation_energy_per_atom": 0.01743682083333346, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 5.5e-06, "volume": 114.47335735858951}, "record_id": "mp-1094429", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.167148324287481, "alpha": 90.0, "b": 3.167148324287481, "beta": 90.0, "c": 13.177621, "gamma": 120.00000677413387, "matrix": [[1.583574, -2.742831, 0.0], [1.583574, 2.742831, 0.0], [0.0, 0.0, 13.177621]], "pbc": [true, true, true], "volume": 114.47335735858951}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.008617], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.11355156015699999]}, {"abc": [0.0, 0.0, 0.676649], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 8.916624072029]}, {"abc": [0.333333, 0.666667, 0.482654], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.583574, 0.914278828554, 6.360231486134]}, {"abc": [0.333333, 0.666667, 0.842968], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.583574, 0.914278828554, 11.108312819128]}, {"abc": [0.0, 0.0, 0.316684], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 4.1731417287640005]}, {"abc": [0.333333, 0.666667, 0.172428], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.583574, 0.914278828554, 2.272190833788]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "P 3 -2\"", "number": 156, "point_group": "3m", "symbol": "P3m1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.77937587\n_cell_length_b   5.77937587\n_cell_length_c   6.74034538\n_cell_angle_alpha   76.34240296\n_cell_angle_beta   76.34240296\n_cell_angle_gamma   30.05835142\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   109.34425023\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.99164700  0.99164700  0.02261500  1.0\n  Mg  Mg1  1  0.94590800  0.94590800  0.59241200  1.0\n  Mg  Mg2  1  0.67333600  0.67333600  0.66565100  1.0\n  Zn  Zn3  1  0.62213500  0.62213500  0.26990500  1.0\n  Zn  Zn4  1  0.32503700  0.32503700  0.32812500  1.0\n  Zn  Zn5  1  0.27527100  0.27527100  0.95462500  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094435"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.087282185851122, "energy_above_hull": 0.09516835563333337, "formation_energy_per_atom": -0.011085629166666777, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0002761, "volume": 109.34425022925137}, "record_id": "mp-1094435", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.779375866961848, "alpha": 76.34240295886951, "b": 5.779375866961848, "beta": 76.34240295886951, "c": 6.740345378900699, "gamma": 30.058351420715333, "matrix": [[1.498655, 5.581686, 0.0], [-1.498655, 5.581686, 0.0], [0.0, 1.647892, 6.535802]], "pbc": [true, true, true], "volume": 109.34425022925137}, "properties": {}, "sites": [{"abc": [0.991647, 0.991647, 0.022615], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 11.107391431263999, 0.14780716223]}, {"abc": [0.945908, 0.945908, 0.592412], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 11.535753877280001, 3.8718875344240007]}, {"abc": [0.673336, 0.673336, 0.665651], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 8.613621206684002, 4.350563137102]}, {"abc": [0.622135, 0.622135, 0.269905], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.3898987294800005, 1.76404563881]}, {"abc": [0.325037, 0.325037, 0.328125], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.169223507264, 2.14456003125]}, {"abc": [0.275271, 0.275271, 0.954625], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.646071474312, 6.23923998425]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.31517109\n_cell_length_b   5.31517109\n_cell_length_c   5.69784473\n_cell_angle_alpha   61.45260421\n_cell_angle_beta   61.45260421\n_cell_angle_gamma   54.75705642\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   110.80482251\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.00558200  0.30080300  0.01578500  1.0\n  Mg  Mg1  1  0.69919700  0.99441800  0.98421500  1.0\n  Mg  Mg2  1  0.46379900  0.53620100  0.50000000  1.0\n  Zn  Zn3  1  0.34380200  0.65619800  0.00000000  1.0\n  Zn  Zn4  1  0.80628700  0.81866700  0.50614200  1.0\n  Zn  Zn5  1  0.18133300  0.19371300  0.49385800  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094445"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.033405730739677, "energy_above_hull": 0.0845683939666666, "formation_energy_per_atom": -0.021685590833333396, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0027473, "volume": 110.80482250549755}, "record_id": "mp-1094445", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.315171091059346, "alpha": 61.4526042128038, "b": 5.315171091059346, "beta": 61.4526042128038, "c": 5.697844727958546, "gamma": 54.757056419938415, "matrix": [[2.444272, 4.719807, 0.0], [-2.444272, 4.719807, 0.0], [0.0, 3.066391, 4.802362]], "pbc": [true, true, true], "volume": 110.80482250549755}, "properties": {}, "sites": [{"abc": [0.005582, 0.300803, 0.015785], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.7216004241119999, 1.49448104963, 0.07580528417]}, {"abc": [0.699197, 0.994418, 0.984215], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.7216004241120002, 11.01152395037, 4.726556715829999]}, {"abc": [0.463799, 0.536201, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-0.1769701813440001, 6.253002500000001, 2.401181]}, {"abc": [0.343802, 0.656198, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.7635807957119998, 4.719807, 0.0]}, {"abc": [0.806287, 0.818667, 0.506142], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.0302600873600003, 9.2214985374, 2.4306771074039997]}, {"abc": [0.181333, 0.193713, 0.493858], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.030260087359999965, 3.2845064626, 2.371684892596]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C 2y", "number": 5, "point_group": "2", "symbol": "C2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.73960371\n_cell_length_b   7.73960371\n_cell_length_c   4.80030400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.27274281\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   111.09163178\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.99828600  0.00171400  0.00000000  1.0\n  Mg  Mg1  1  0.67304900  0.32695100  0.00000000  1.0\n  Mg  Mg2  1  0.43927900  0.56072100  0.50000000  1.0\n  Zn  Zn3  1  0.33324100  0.66675900  0.00000000  1.0\n  Zn  Zn4  1  0.11313000  0.88687000  0.50000000  1.0\n  Zn  Zn5  1  0.77634800  0.22365200  0.50000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094474"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.022992541645551, "energy_above_hull": 0.10119895396666667, "formation_energy_per_atom": -0.0050550308333334, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 8.6e-06, "volume": 111.09163177927735}, "record_id": "mp-1094474", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.739603707240378, "alpha": 90.0, "b": 7.739603707240378, "beta": 90.0, "c": 4.800304, "gamma": 157.2727428080794, "matrix": [[1.524973, -7.58788, 0.0], [1.524973, 7.58788, 0.0], [0.0, 0.0, 4.800304]], "pbc": [true, true, true], "volume": 111.09163177927735}, "properties": {}, "sites": [{"abc": [0.998286, 0.001714, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.524973, -7.56186874736, 0.0]}, {"abc": [0.673049, 0.326951, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.524973, -2.62615009224, 0.0]}, {"abc": [0.439279, 0.560721, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.524973, 0.9214873229600005, 2.400152]}, {"abc": [0.333241, 0.666759, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.524973, 2.5306945618400003, 0.0]}, {"abc": [0.11313, 0.88687, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.524973, 5.871046271200001, 2.400152]}, {"abc": [0.776348, 0.223652, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5249730000000001, -4.19379092448, 2.400152]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.58714998\n_cell_length_b   3.10982396\n_cell_length_c   14.64326277\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   MgZn\n_chemical_formula_sum   'Mg6 Zn6'\n_cell_volume   208.88949549\n_cell_formula_units_Z   6\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  Mg  Mg0  1  0.00000000  0.50000000  0.18203876  1.0\n  Mg  Mg1  1  0.50000000  0.50000000  0.37277768  1.0\n  Mg  Mg2  1  0.50000000  0.50000000  0.05223111  1.0\n  Mg  Mg3  1  0.00000000  0.00000000  0.68203876  1.0\n  Mg  Mg4  1  0.50000000  0.00000000  0.87277768  1.0\n  Mg  Mg5  1  0.50000000  -0.00000000  0.55223111  1.0\n  Zn  Zn6  1  0.00000000  0.00000000  0.99724130  1.0\n  Zn  Zn7  1  0.00000000  -0.00000000  0.34478243  1.0\n  Zn  Zn8  1  0.50000000  0.00000000  0.21759472  1.0\n  Zn  Zn9  1  0.00000000  0.50000000  0.49724130  1.0\n  Zn  Zn10  1  0.00000000  0.50000000  0.84478243  1.0\n  Zn  Zn11  1  0.50000000  0.50000000  0.71759472  1.0\n", "composition": {"Mg": 6.0, "Zn": 6.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094475"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.279016568439165, "energy_above_hull": 0.04470156896666677, "formation_energy_per_atom": -0.06155241583333323, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 208.8894954899825}, "record_id": "mp-1094475", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.58714998, "alpha": 90.0, "b": 3.10982396, "beta": 90.0, "c": 14.64326277, "gamma": 90.0, "matrix": [[4.58714998, 0.0, 0.0], [0.0, 3.10982396, 0.0], [0.0, 0.0, 14.64326277]], "pbc": [true, true, true], "volume": 208.8894954899825}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.18203876], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 1.55491198, 2.6656413970049653]}, {"abc": [0.5, 0.5, 0.37277768], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.29357499, 1.55491198, 5.4586815230309735]}, {"abc": [0.5, 0.5, 0.05223111], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.29357499, 1.55491198, 0.7648338684987747]}, {"abc": [0.0, 0.0, 0.68203876], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 9.987272782004965]}, {"abc": [0.5, 0.0, 0.87277768], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.29357499, 0.0, 12.780312908030973]}, {"abc": [0.5, -0.0, 0.55223111], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.29357499, 0.0, 8.086465253498774]}, {"abc": [0.0, 0.0, 0.9972413], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 14.602866400996401]}, {"abc": [0.0, -0.0, 0.34478243], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 5.048739720969131]}, {"abc": [0.5, 0.0, 0.21759472], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.29357499, 0.0, 3.1862966623245743]}, {"abc": [0.0, 0.5, 0.4972413], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.55491198, 7.281235015996401]}, {"abc": [0.0, 0.5, 0.84478243], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.55491198, 12.37037110596913]}, {"abc": [0.5, 0.5, 0.71759472], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.29357499, 1.55491198, 10.507928047324574]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.77330772\n_cell_length_b   4.77330772\n_cell_length_c   4.77330738\n_cell_angle_alpha   38.72613670\n_cell_angle_beta   38.72613670\n_cell_angle_gamma   38.72613969\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg1 Zn1'\n_cell_volume   38.25947600\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  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094477"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.893770056652316, "energy_above_hull": 0.11175992730000006, "formation_energy_per_atom": 0.005505942500000138, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0008936, "volume": 38.25947599925032}, "record_id": "mp-1094477", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.77330771708613, "alpha": 38.72613669811143, "b": 4.77330771708613, "beta": 38.72613669811143, "c": 4.773307375470492, "gamma": 38.72613968775304, "matrix": [[4.503313, -1.582605, 0.0], [4.503313, 1.582605, 0.0], [3.947136, 0.0, 2.684135]], "pbc": [true, true, true], "volume": 38.25947599925032}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [6.4768810000000006, 0.0, 1.3420675]}], "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"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.78260972\n_cell_length_b   7.78260972\n_cell_length_c   4.77663200\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.43036528\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   111.04117212\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.33362200  0.66637800  0.00000000  1.0\n  Mg  Mg1  1  0.45549200  0.54450800  0.50000000  1.0\n  Mg  Mg2  1  0.76664800  0.23335200  0.50000000  1.0\n  Zn  Zn3  1  0.00614500  0.99385500  0.00000000  1.0\n  Zn  Zn4  1  0.66118600  0.33881400  0.00000000  1.0\n  Zn  Zn5  1  0.11024100  0.88975900  0.50000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094488"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.024820681802791, "energy_above_hull": 0.10002115896666663, "formation_energy_per_atom": -0.006232825833333362, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.92e-05, "volume": 111.04117212175589}, "record_id": "mp-1094488", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.7826097167675705, "alpha": 90.0, "b": 7.7826097167675705, "beta": 90.0, "c": 4.776632, "gamma": 157.4303652799209, "matrix": [[1.52295, -7.632145, 0.0], [1.52295, 7.632145, 0.0], [0.0, 0.0, 4.776632]], "pbc": [true, true, true], "volume": 111.04117212175589}, "properties": {}, "sites": [{"abc": [0.333622, 0.666378, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.52295, 2.539642041620001, 0.0]}, {"abc": [0.455492, 0.544508, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.52295, 0.6793830193200003, 2.388316]}, {"abc": [0.766648, 0.233352, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.5229500000000002, -4.070192399920001, 2.388316]}, {"abc": [0.006145, 0.993855, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.52295, 7.538345937950001, 0.0]}, {"abc": [0.661186, 0.338814, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5229500000000002, -2.4603898479400006, 0.0]}, {"abc": [0.110241, 0.889759, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.52295, 5.94939440611, 2.388316]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.11189579\n_cell_length_b   5.11189579\n_cell_length_c   4.82237200\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.80188174\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   109.35002321\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.98169500  0.32778500  0.00000000  1.0\n  Mg  Mg1  1  0.32778500  0.98169500  0.00000000  1.0\n  Mg  Mg2  1  0.35547000  0.35547000  0.50000000  1.0\n  Zn  Zn3  1  0.67176900  0.67176900  0.00000000  1.0\n  Zn  Zn4  1  0.99010200  0.67317900  0.50000000  1.0\n  Zn  Zn5  1  0.67317900  0.99010200  0.50000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094490"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.087066403609436, "energy_above_hull": 0.0826177173, "formation_energy_per_atom": -0.023636267499999992, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.002095, "volume": 109.35002320798476}, "record_id": "mp-1094490", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.11189578696984, "alpha": 90.0, "b": 5.11189578696984, "beta": 90.0, "c": 4.822372, "gamma": 119.80188173747925, "matrix": [[2.563598, -4.422606, 0.0], [2.563598, 4.422606, 0.0], [0.0, 0.0, 4.822372]], "pbc": [true, true, true], "volume": 109.35002320798476}, "properties": {}, "sites": [{"abc": [0.981695, 0.327785, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.35698030904, -2.89198628946, 0.0]}, {"abc": [0.327785, 0.981695, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.35698030904, 2.89198628946, 0.0]}, {"abc": [0.35547, 0.35547, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.8225643621199998, 0.0, 2.411186]}, {"abc": [0.671769, 0.671769, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.4442913297239994, 0.0, 0.0]}, {"abc": [0.990102, 0.673179, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.263983845038, -1.4016255613380006, 2.411186]}, {"abc": [0.673179, 0.990102, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.263983845038, 1.4016255613380006, 2.411186]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.73670153\n_cell_length_b   5.73670153\n_cell_length_c   6.84369495\n_cell_angle_alpha   74.83997514\n_cell_angle_beta   74.83997514\n_cell_angle_gamma   30.70248289\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   110.68564200\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.99902000  0.99902000  0.01679800  1.0\n  Mg  Mg1  1  0.66751000  0.66751000  0.64781100  1.0\n  Mg  Mg2  1  0.27842500  0.27842500  0.94688700  1.0\n  Zn  Zn3  1  0.60820300  0.60820300  0.28387500  1.0\n  Zn  Zn4  1  0.33628100  0.33628100  0.33361900  1.0\n  Zn  Zn5  1  0.94389400  0.94389400  0.60434300  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094493"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.037748690989172, "energy_above_hull": 0.12271343230000009, "formation_energy_per_atom": 0.016459447499999946, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0005325, "volume": 110.68564199763989}, "record_id": "mp-1094493", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.736701529203432, "alpha": 74.83997513597619, "b": 5.736701529203432, "beta": 74.83997513597619, "c": 6.84369495310165, "gamma": 30.70248289307308, "matrix": [[1.518709, 5.532022, 0.0], [-1.518709, 5.532022, 0.0], [0.0, 1.855953, 6.58723]], "pbc": [true, true, true], "volume": 110.68564199763989}, "properties": {}, "sites": [{"abc": [0.99902, 0.99902, 0.016798], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 11.084377535374001, 0.11065228954]}, {"abc": [0.66751, 0.66751, 0.647811], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 8.587666779323001, 4.26728005353]}, {"abc": [0.278425, 0.278425, 0.946887], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 4.837884219011, 6.23736245301]}, {"abc": [0.608203, 0.608203, 0.283875], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.256043410807001, 1.86994991625]}, {"abc": [0.336281, 0.336281, 0.333619], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.3398089642710005, 2.19762508537]}, {"abc": [0.943894, 0.943894, 0.604343], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 11.564916951215, 3.9809463398899996]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.33786248\n_cell_length_b   5.33786248\n_cell_length_c   4.83165650\n_cell_angle_alpha   71.73621894\n_cell_angle_beta   71.73621894\n_cell_angle_gamma   32.89989488\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg2 Zn2'\n_cell_volume   70.67223730\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  Mg  Mg0  1  0.89224638  0.89224638  0.82206495  1.0\n  Mg  Mg1  1  0.10775362  0.10775362  0.17793505  1.0\n  Zn  Zn2  1  0.64654751  0.64654751  0.65825311  1.0\n  Zn  Zn3  1  0.35345249  0.35345249  0.34174689  1.0\n", "composition": {"Mg": 2.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094505"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.21590168123044, "energy_above_hull": 0.07122559230000025, "formation_energy_per_atom": -0.03502839249999967, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 70.67223730208522}, "record_id": "mp-1094505", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.337862479849222, "alpha": 71.73621894385926, "b": 5.337862479849222, "beta": 71.73621894385926, "c": 4.83165650299782, "gamma": 32.899894881656465, "matrix": [[1.51156324, 5.11808681, -0.1146291], [-1.51156324, 5.11808681, -0.1146291], [-0.0, 1.68068107, 4.52992447]], "pbc": [true, true, true], "volume": 70.67223730208522}, "properties": {}, "sites": [{"abc": [0.89224638, 0.89224638, 0.82206495], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 10.514817857271993, 3.519337333899011]}, {"abc": [0.10775362, 0.10775362, 0.17793505], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 1.4020368327280077, 0.7813289361009895]}, {"abc": [0.64654751, 0.64654751, 0.65825311], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.7244861071843145, 2.8336105520855197]}, {"abc": [0.35345249, 0.35345249, 0.34174689], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.1923685828156865, 1.4670557179144803]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.26291700\n_cell_length_b   3.26291700\n_cell_length_c   3.26291700\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   MgZn\n_chemical_formula_sum   'Mg1 Zn1'\n_cell_volume   34.73906137\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  Mg  Mg0  1  -0.00000000  0.00000000  -0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094779"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.2883600234664465, "energy_above_hull": 0.04320482229999989, "formation_energy_per_atom": -0.06304916250000003, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 34.73906136935484}, "record_id": "mp-1094779", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.262917, "alpha": 90.0, "b": 3.262917, "beta": 90.0, "c": 3.262917, "gamma": 90.0, "matrix": [[3.262917, 0.0, -0.0], [-0.0, 3.262917, 0.0], [0.0, -0.0, 3.262917]], "pbc": [true, true, true], "volume": 34.73906136935484}, "properties": {}, "sites": [{"abc": [-0.0, 0.0, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.6314585, 1.6314585, 1.6314585]}], "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_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.06370804\n_cell_length_b   3.06370804\n_cell_length_c   4.54516400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000079\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg1 Zn1'\n_cell_volume   36.94663907\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  Mg  Mg0  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn1  1  0.66666700  0.33333300  0.00000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094782"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.032128652948109, "energy_above_hull": 0.1084709223, "formation_energy_per_atom": 0.0022169375000000713, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0016383, "volume": 36.94663907119286}, "record_id": "mp-1094782", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0637080365656586, "alpha": 90.0, "b": 3.0637080365656586, "beta": 90.0, "c": 4.545164, "gamma": 120.00000078961979, "matrix": [[1.531854, -2.653249, 0.0], [1.531854, 2.653249, 0.0], [0.0, 0.0, 4.545164]], "pbc": [true, true, true], "volume": 36.94663907119286}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 2.272582]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.531854, -0.8844181021660001, 0.0]}], "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_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.07987166\n_cell_length_b   3.07987166\n_cell_length_c   9.16049000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999270\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg2 Zn2'\n_cell_volume   75.25140411\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  Mg  Mg0  1  0.33333300  0.66666700  0.64324300  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.35675700  1.0\n  Zn  Zn2  1  0.66666700  0.33333300  0.88983700  1.0\n  Zn  Zn3  1  0.33333300  0.66666700  0.11016300  1.0\n", "composition": {"Mg": 2.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094788"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.9593574044645936, "energy_above_hull": 0.12972811230000003, "formation_energy_per_atom": 0.023474127500000108, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0085557, "volume": 75.25140410972011}, "record_id": "mp-1094788", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.0798716601678393, "alpha": 90.0, "b": 3.0798716601678393, "beta": 90.0, "c": 9.16049, "gamma": 119.99999269998307, "matrix": [[1.539936, -2.667247, 0.0], [1.539936, 2.667247, 0.0], [0.0, 0.0, 9.16049]], "pbc": [true, true, true], "volume": 75.25140410972011}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.643243], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.539936, 0.8890841114980002, 5.89242106907]}, {"abc": [0.666667, 0.333333, 0.356757], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.539936, -0.8890841114980002, 3.2680689309299997]}, {"abc": [0.666667, 0.333333, 0.889837], "label": "Zn", "properties": {"magmom": -0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.539936, -0.8890841114980002, 8.15134294013]}, {"abc": [0.333333, 0.666667, 0.110163], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.539936, 0.8890841114980002, 1.0091470598699999]}], "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_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.19763203\n_cell_length_b   3.19763203\n_cell_length_c   3.38728907\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   MgZn\n_chemical_formula_sum   'Mg1 Zn1'\n_cell_volume   34.63452468\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  Mg  Mg0  1  0.00000000  -0.00000000  0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 1.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094862"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.3013034946195425, "energy_above_hull": 0.05325654730000018, "formation_energy_per_atom": -0.052997437499999744, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 34.634524677330596}, "record_id": "mp-1094862", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.19763203, "alpha": 90.0, "b": 3.19763203, "beta": 90.0, "c": 3.38728907, "gamma": 90.0, "matrix": [[3.19763203, 0.0, 0.0], [0.0, 3.19763203, 0.0], [-0.0, 0.0, 3.38728907]], "pbc": [true, true, true], "volume": 34.634524677330596}, "properties": {}, "sites": [{"abc": [0.0, -0.0, 0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.598816015, 1.598816015, 1.693644535]}], "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_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.02820200\n_cell_length_b   4.93461500\n_cell_length_c   4.98249700\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   MgZn\n_chemical_formula_sum   'Mg2 Zn2'\n_cell_volume   74.45350754\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  Mg  Mg0  1  0.00000000  0.00000000  0.10083500  1.0\n  Mg  Mg1  1  0.50000000  0.50000000  0.89916500  1.0\n  Zn  Zn2  1  0.50000000  0.00000000  0.59489600  1.0\n  Zn  Zn3  1  0.00000000  0.50000000  0.40510400  1.0\n", "composition": {"Mg": 2.0, "Zn": 2.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-1094956"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.001788685381887, "energy_above_hull": 0.1043202323000001, "formation_energy_per_atom": -0.0019337524999998301, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0243355, "volume": 74.45350753940293}, "record_id": "mp-1094956", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.028202, "alpha": 90.0, "b": 4.934615, "beta": 90.0, "c": 4.982497, "gamma": 90.0, "matrix": [[3.028202, 0.0, 0.0], [0.0, 4.934615, 0.0], [0.0, 0.0, 4.982497]], "pbc": [true, true, true], "volume": 74.45350753940293}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.100835], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.5024100849950001]}, {"abc": [0.5, 0.5, 0.899165], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.514101, 2.4673075, 4.480086915005001]}, {"abc": [0.5, 0.0, 0.594896], "label": "Zn", "properties": {"magmom": -0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.514101, 0.0, 2.964067535312]}, {"abc": [0.0, 0.5, 0.405104], "label": "Zn", "properties": {"magmom": -0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 2.4673075, 2.0184294646880003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2 2ab -1ab", "number": 59, "point_group": "mmm", "symbol": "Pmmn", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.24444261\n_cell_length_b   5.24444261\n_cell_length_c   4.37825414\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   109.41528611\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn\n_chemical_formula_sum   'Mg3 Zn3'\n_cell_volume   113.57246350\n_cell_formula_units_Z   3\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  Mg  Mg0  1  0.92938095  0.30279643  -0.00000000  1.0\n  Mg  Mg1  1  0.30279643  0.92938095  -0.00000000  1.0\n  Mg  Mg2  1  0.39786180  0.39786180  0.50000000  1.0\n  Zn  Zn3  1  0.72811582  0.72811582  0.00000000  1.0\n  Zn  Zn4  1  0.98234774  0.65949726  0.50000000  1.0\n  Zn  Zn5  1  0.65949726  0.98234774  0.50000000  1.0\n", "composition": {"Mg": 3.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn", "identifiers": {"materials_project_id": "mp-2415538"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 3.9351158927921057, "energy_above_hull": 0.06703865063333336, "formation_energy_per_atom": -0.039215334166666636, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0, "volume": 113.57246349615393}, "record_id": "mp-2415538", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.244442611808026, "alpha": 90.0, "b": 5.244442611808026, "beta": 90.0, "c": 4.37825414, "gamma": 109.41528611238519, "matrix": [[3.02997016, -4.28059098, 0.0], [3.02997016, 4.28059098, 0.0], [0.0, 0.0, 4.37825414]], "pbc": [true, true, true], "volume": 113.57246349615393}, "properties": {}, "sites": [{"abc": [0.92938095, 0.30279643, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.7334606932269807, -2.6821520445196296, 0.0]}, {"abc": [0.30279643, 0.92938095, -0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.7334606932269807, 2.6821520445196296, 0.0]}, {"abc": [0.3978618, 0.3978618, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.411018763607776, 0.0, 2.18912707]}, {"abc": [0.72811582, 0.72811582, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.412338415247862, 0.0, 0.0]}, {"abc": [0.98234774, 0.65949726, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.9747413573451995, -1.381990852576671, 2.18912707]}, {"abc": [0.65949726, 0.98234774, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.9747413573451995, 1.381990852576671, 2.18912707]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.15681108\n_cell_length_b   5.15681232\n_cell_length_c   8.37285602\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001141\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg4 Zn8'\n_cell_volume   192.82651495\n_cell_formula_units_Z   4\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  Mg  Mg0  1  0.33333300  0.66666700  0.06223443  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.56223443  1.0\n  Mg  Mg2  1  0.66666700  0.33333300  0.93776557  1.0\n  Mg  Mg3  1  0.33333300  0.66666700  0.43776557  1.0\n  Zn  Zn4  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn5  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn6  1  0.16977898  0.33955996  0.75000000  1.0\n  Zn  Zn7  1  0.83022102  0.16977898  0.25000000  1.0\n  Zn  Zn8  1  0.33955996  0.16977898  0.25000000  1.0\n  Zn  Zn9  1  0.66044004  0.83022102  0.75000000  1.0\n  Zn  Zn10  1  0.16977898  0.83022102  0.75000000  1.0\n  Zn  Zn11  1  0.83022102  0.66044004  0.25000000  1.0\n", "composition": {"Mg": 4.0, "Zn": 8.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1124"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.343410413424774, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.13063030499999861, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 192.8265149470189}, "record_id": "mp-1124", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.15681108, "alpha": 90.0, "b": 5.156812321882125, "beta": 90.0, "c": 8.37285602, "gamma": 120.0000114062071, "matrix": [[5.15681108, -0.0, 0.0], [-2.57840705, 4.46592996, 0.0], [0.0, -0.0, 8.37285602]], "pbc": [true, true, true], "volume": 192.8265149470189}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.06223443], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-3.5850727102548774e-06, 2.97728812864332, 0.5210799218767687]}, {"abc": [0.666667, 0.333333, 0.56223443], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5784076150727095, 1.48864183135668, 4.707507931876768]}, {"abc": [0.666667, 0.333333, 0.93776557], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.5784076150727095, 1.48864183135668, 7.851776098123232]}, {"abc": [0.333333, 0.666667, 0.43776557], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-3.5850727102548774e-06, 2.97728812864332, 3.6653480881232317]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 4.18642801]}, {"abc": [0.16977898, 0.33955996, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-5.669546619735399e-06, 1.5164509985804018, 6.279642015]}, {"abc": [0.83022102, 0.16977898, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.8435336358110925, 0.7582210333602408, 2.093214005]}, {"abc": [0.33955996, 0.16977898, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3132872450785478, 0.7582210333602408, 2.093214005]}, {"abc": [0.66044004, 0.83022102, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2651167849214522, 3.7077089266397594, 6.279642015]}, {"abc": [0.16977898, 0.83022102, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.2651296058110928, 3.7077089266397594, 6.279642015]}, {"abc": [0.83022102, 0.66044004, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.5784096995466195, 2.9494789614195986, 2.093214005]}], "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_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.74107162\n_cell_length_b   4.74107162\n_cell_length_c   5.28789600\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   116.68701459\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   106.19827602\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  Mg  Mg0  1  0.62076700  0.37923300  0.75000000  1.0\n  Mg  Mg1  1  0.37923300  0.62076700  0.25000000  1.0\n  Zn  Zn2  1  0.71737700  0.28262300  0.25000000  1.0\n  Zn  Zn3  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn4  1  0.28262300  0.71737700  0.75000000  1.0\n  Zn  Zn5  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-567626"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.851073136680421, "energy_above_hull": 0.1456331833333322, "formation_energy_per_atom": 0.015002878333333433, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.000775, "volume": 106.19827602283641}, "record_id": "mp-567626", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.741071621884023, "alpha": 90.0, "b": 4.741071621884023, "beta": 90.0, "c": 5.287896, "gamma": 116.68701459246259, "matrix": [[2.488235, -4.035647, 0.0], [2.488235, 4.035647, 0.0], [0.0, 0.0, 5.287896]], "pbc": [true, true, true], "volume": 106.19827602283641}, "properties": {}, "sites": [{"abc": [0.620767, 0.379233, 0.75], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.488235, -0.9747459624979999, 3.965922]}, {"abc": [0.379233, 0.620767, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.488235, 0.9747459624979999, 1.321974]}, {"abc": [0.717377, 0.282623, 0.25], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.488235, -1.754513675838, 1.321974]}, {"abc": [0.0, 0.0, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 2.643948]}, {"abc": [0.282623, 0.717377, 0.75], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.488235, 1.754513675838, 3.965922]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.15063824\n_cell_length_b   5.15063824\n_cell_length_c   5.15063824\n_cell_angle_alpha   59.99994514\n_cell_angle_beta   59.99994514\n_cell_angle_gamma   59.99994514\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   96.62012760\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  Mg  Mg0  1  0.75000000  0.75000000  0.75000000  1.0\n  Mg  Mg1  1  0.50000000  0.50000000  0.50000000  1.0\n  Zn  Zn2  1  0.12500000  0.12500000  0.12500000  1.0\n  Zn  Zn3  1  0.62500000  0.12500000  0.12500000  1.0\n  Zn  Zn4  1  0.12500000  0.12500000  0.62500000  1.0\n  Zn  Zn5  1  0.12500000  0.62500000  0.12500000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-978269"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.331969816202312, "energy_above_hull": 0.007595595000000399, "formation_energy_per_atom": -0.12303470999999828, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 96.62012759537475}, "record_id": "mp-978269", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.150638244324497, "alpha": 59.9999451403638, "b": 5.150638244324497, "beta": 59.99994514036379, "c": 5.150638244324497, "gamma": 59.99994514036379, "matrix": [[3.02e-06, 3.64205123, 3.64205123], [3.64205123, 3.02e-06, 3.64205123], [3.64205123, 3.64205123, 3.02e-06]], "pbc": [true, true, true], "volume": 96.62012759537475}, "properties": {}, "sites": [{"abc": [0.75, 0.75, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [5.46307911, 5.46307911, 5.46307911]}, {"abc": [0.5, 0.5, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.6420527399999996, 3.6420527399999996, 3.64205274]}, {"abc": [0.125, 0.125, 0.125], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.9105131849999999, 0.9105131849999999, 0.910513185]}, {"abc": [0.625, 0.125, 0.125], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.910514695, 2.7315388, 2.7315388]}, {"abc": [0.125, 0.125, 0.625], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.7315388, 2.7315388, 0.9105146949999999]}, {"abc": [0.125, 0.625, 0.125], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.7315388, 0.910514695, 2.7315388]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F 4d 2 3 -1d", "number": 227, "point_group": "m-3m", "symbol": "Fd-3m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.74851480\n_cell_length_b   7.74851480\n_cell_length_c   4.61646300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.89524418\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.29941189\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  Mg  Mg0  1  0.10477400  0.89522600  0.50000000  1.0\n  Mg  Mg1  1  0.78413600  0.21586400  0.50000000  1.0\n  Zn  Zn2  1  0.99392600  0.00607400  0.00000000  1.0\n  Zn  Zn3  1  0.33939100  0.66060900  0.00000000  1.0\n  Zn  Zn4  1  0.66763500  0.33236500  0.00000000  1.0\n  Zn  Zn5  1  0.44347000  0.55653000  0.50000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094191"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.939391264323194, "energy_above_hull": 0.10951124833333203, "formation_energy_per_atom": -0.02111905666666658, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0004664, "volume": 104.29941189255935}, "record_id": "mp-1094191", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.7485148024331085, "alpha": 90.0, "b": 7.7485148024331085, "beta": 90.0, "c": 4.616463, "gamma": 157.89524418141025, "matrix": [[1.485439, -7.604798, 0.0], [1.485439, 7.604798, 0.0], [0.0, 0.0, 4.616463]], "pbc": [true, true, true], "volume": 104.29941189255935}, "properties": {}, "sites": [{"abc": [0.104774, 0.895226, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.485439, 6.011227788696, 2.3082315]}, {"abc": [0.784136, 0.215864, 0.5], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.485439, -4.321593769056, 2.3082315]}, {"abc": [0.993926, 0.006074, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.485439, -7.5124149138959995, 0.0]}, {"abc": [0.339391, 0.660609, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.485439, 2.4427980039639996, 0.0]}, {"abc": [0.667635, 0.332365, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.485439, -2.549660625459999, 0.0]}, {"abc": [0.44347, 0.55653, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.485439, 0.8597984618800001, 2.3082315]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.15683372\n_cell_length_b   5.15683372\n_cell_length_c   4.67158100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   124.08801141\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   102.88537191\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  Mg  Mg0  1  0.70027400  0.70027400  0.75000000  1.0\n  Mg  Mg1  1  0.29972600  0.29972600  0.25000000  1.0\n  Zn  Zn2  1  0.98569500  0.35310400  0.75000000  1.0\n  Zn  Zn3  1  0.35310400  0.98569500  0.75000000  1.0\n  Zn  Zn4  1  0.64689600  0.01430500  0.25000000  1.0\n  Zn  Zn5  1  0.01430500  0.64689600  0.25000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094198"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.007277462445882, "energy_above_hull": 0.08034514499999879, "formation_energy_per_atom": -0.050285159999999905, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0020562, "volume": 102.88537190917094}, "record_id": "mp-1094198", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.156833717534918, "alpha": 90.0, "b": 5.156833717534918, "beta": 90.0, "c": 4.671581, "gamma": 124.08801141097997, "matrix": [[2.417489, -4.555072, 0.0], [2.417489, 4.555072, 0.0], [0.0, 0.0, 4.671581]], "pbc": [true, true, true], "volume": 102.88537190917094}, "properties": {}, "sites": [{"abc": [0.700274, 0.700274, 0.75], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [3.385809383972, 0.0, 3.50368575]}, {"abc": [0.299726, 0.299726, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.4491686160280002, 0.0, 1.16789525]}, {"abc": [0.985695, 0.353104, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.236531855711, -2.881497551552, 3.50368575]}, {"abc": [0.353104, 0.985695, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.236531855711, 2.881497551552, 3.50368575]}, {"abc": [0.646896, 0.014305, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5984461442890001, -2.881497551552, 1.16789525]}, {"abc": [0.014305, 0.646896, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.5984461442890001, 2.881497551552, 1.16789525]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.94787420\n_cell_length_b   2.94787420\n_cell_length_c   13.85102100\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000445\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.23901328\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  Mg  Mg0  1  0.00000000  0.00000000  0.67119000  1.0\n  Mg  Mg1  1  0.00000000  0.00000000  0.32881000  1.0\n  Zn  Zn2  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn3  1  0.66666700  0.33333300  0.84367900  1.0\n  Zn  Zn4  1  0.66666700  0.33333300  0.50000000  1.0\n  Zn  Zn5  1  0.66666700  0.33333300  0.15632100  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094426"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.942253267608067, "energy_above_hull": 0.1552982399999987, "formation_energy_per_atom": 0.024667935000000085, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0003062, "volume": 104.23901327612192}, "record_id": "mp-1094426", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.9478741981850245, "alpha": 90.0, "b": 2.9478741981850245, "beta": 90.0, "c": 13.851021, "gamma": 120.00000444788841, "matrix": [[1.473937, -2.552934, 0.0], [1.473937, 2.552934, 0.0], [0.0, 0.0, 13.851021]], "pbc": [true, true, true], "volume": 104.23901327612192}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.67119], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 9.296666784989998]}, {"abc": [0.0, 0.0, 0.32881], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 4.55435421501]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.843679], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.473937, -0.8509797019560001, 11.685815546258999]}, {"abc": [0.666667, 0.333333, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.473937, -0.8509797019560001, 6.9255105]}, {"abc": [0.666667, 0.333333, 0.156321], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.473937, -0.8509797019560001, 2.1652054537409997]}], "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_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.51971122\n_cell_length_b   5.51971122\n_cell_length_c   6.63813452\n_cell_angle_alpha   75.77741639\n_cell_angle_beta   75.77741639\n_cell_angle_gamma   30.94688323\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   100.56703870\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  Mg  Mg0  1  0.52566000  0.52566000  0.20532200  1.0\n  Mg  Mg1  1  0.47434000  0.47434000  0.79467800  1.0\n  Zn  Zn2  1  0.80250900  0.80250900  0.14235400  1.0\n  Zn  Zn3  1  0.14768200  0.14768200  0.46869200  1.0\n  Zn  Zn4  1  0.85231800  0.85231800  0.53130800  1.0\n  Zn  Zn5  1  0.19749100  0.19749100  0.85764600  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094432"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.122708301095578, "energy_above_hull": 0.10572324666666555, "formation_energy_per_atom": -0.024907058333333214, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 6.41e-05, "volume": 100.5670387021598}, "record_id": "mp-1094432", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.519711221956634, "alpha": 75.77741638928774, "b": 5.519711221956634, "beta": 75.77741638928774, "c": 6.638134519193853, "gamma": 30.94688323200348, "matrix": [[1.472613, 5.319645, 0.0], [-1.472613, 5.319645, 0.0], [0.0, 1.692257, 6.418808]], "pbc": [true, true, true], "volume": 100.5670387021598}, "properties": {}, "sites": [{"abc": [0.52566, 0.52566, 0.205322], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 5.9401067731540005, 1.317922496176]}, {"abc": [0.47434, 0.47434, 0.794678], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 6.391440226846, 5.100885503824]}, {"abc": [0.802509, 0.802509, 0.142354], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 8.779025531588001, 0.9137429940320001]}, {"abc": [0.147682, 0.147682, 0.468692], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 2.364378943624, 3.008443959136]}, {"abc": [0.852318, 0.852318, 0.531308], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 9.967168056376002, 3.410364040864]}, {"abc": [0.197491, 0.197491, 0.857646], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.5525214684120003, 5.505065005968]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.98676357\n_cell_length_b   2.98676357\n_cell_length_c   13.52645800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999043\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.50003896\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  Mg  Mg0  1  0.33333300  0.66666700  0.75000000  1.0\n  Mg  Mg1  1  0.66666700  0.33333300  0.25000000  1.0\n  Zn  Zn2  1  0.66666700  0.33333300  0.92299100  1.0\n  Zn  Zn3  1  0.66666700  0.33333300  0.57700900  1.0\n  Zn  Zn4  1  0.33333300  0.66666700  0.42299100  1.0\n  Zn  Zn5  1  0.33333300  0.66666700  0.07700900  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094436"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.9299082477803005, "energy_above_hull": 0.1542191816666656, "formation_energy_per_atom": 0.02358887666666683, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.00059, "volume": 104.500038962817}, "record_id": "mp-1094436", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.9867635677590885, "alpha": 90.0, "b": 2.9867635677590885, "beta": 90.0, "c": 13.526458, "gamma": 119.99999042547945, "matrix": [[1.493382, -2.586613, 0.0], [1.493382, 2.586613, 0.0], [0.0, 0.0, 13.526458]], "pbc": [true, true, true], "volume": 104.500038962817}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.75], "label": "Mg", "properties": {"magmom": 0.001}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.493382, 0.8622060577420001, 10.1448435]}, {"abc": [0.666667, 0.333333, 0.25], "label": "Mg", "properties": {"magmom": -0.001}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.493382, -0.8622060577420001, 3.3816145]}, {"abc": [0.666667, 0.333333, 0.922991], "label": "Zn", "properties": {"magmom": -0.004}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.493382, -0.8622060577420001, 12.484798995878]}, {"abc": [0.666667, 0.333333, 0.577009], "label": "Zn", "properties": {"magmom": -0.004}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.493382, -0.8622060577420001, 7.804888004122]}, {"abc": [0.333333, 0.666667, 0.422991], "label": "Zn", "properties": {"magmom": 0.004}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.493382, 0.8622060577420001, 5.721569995878]}, {"abc": [0.333333, 0.666667, 0.077009], "label": "Zn", "properties": {"magmom": 0.004}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.493382, 0.8622060577420001, 1.041659004122]}], "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_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.35129300\n_cell_length_b   7.35129300\n_cell_length_c   4.47943064\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   156.29593744\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   97.31730088\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  Mg  Mg0  1  0.43577059  0.56422941  0.25000000  1.0\n  Mg  Mg1  1  0.56422941  0.43577059  0.75000000  1.0\n  Zn  Zn2  1  0.11825442  0.88174558  0.25000000  1.0\n  Zn  Zn3  1  0.77024063  0.22975937  0.25000000  1.0\n  Zn  Zn4  1  0.22975937  0.77024063  0.75000000  1.0\n  Zn  Zn5  1  0.88174558  0.11825442  0.75000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094439"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.293772014917765, "energy_above_hull": 0.11911356666666739, "formation_energy_per_atom": -0.01151673833333137, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0, "volume": 97.31730088194156}, "record_id": "mp-1094439", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.351292995857609, "alpha": 90.0, "b": 7.351292995857609, "beta": 90.0, "c": 4.47943064, "gamma": 156.2959374436296, "matrix": [[1.50984453, -7.19457283, -0.0], [1.50984453, 7.19457283, 0.0], [-0.0, 0.0, 4.47943064]], "pbc": [true, true, true], "volume": 97.31730088194156}, "properties": {}, "sites": [{"abc": [0.43577059, 0.56422941, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.50984453, 0.9242063361458608, 1.11985766]}, {"abc": [0.56422941, 0.43577059, 0.75], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.50984453, -0.9242063361458608, 3.3595729800000003]}, {"abc": [0.11825442, 0.88174558, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.50984453, 5.492992755681183, 1.11985766]}, {"abc": [0.77024063, 0.22975937, 0.25], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.50984453, -3.8885317883201655, 1.11985766]}, {"abc": [0.22975937, 0.77024063, 0.75], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.50984453, 3.8885317883201655, 3.3595729800000003]}, {"abc": [0.88174558, 0.11825442, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.50984453, -5.492992755681183, 3.3595729800000003]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.60458905\n_cell_length_b   5.60458905\n_cell_length_c   6.78507056\n_cell_angle_alpha   73.12063249\n_cell_angle_beta   73.12063249\n_cell_angle_gamma   30.45647622\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   103.02400026\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  Mg  Mg0  1  0.81191100  0.81191100  0.64546500  1.0\n  Mg  Mg1  1  0.18808900  0.18808900  0.35453500  1.0\n  Zn  Zn2  1  0.13296200  0.13296200  0.97820300  1.0\n  Zn  Zn3  1  0.53072900  0.53072900  0.70453600  1.0\n  Zn  Zn4  1  0.46927100  0.46927100  0.29546400  1.0\n  Zn  Zn5  1  0.86703800  0.86703800  0.02179700  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094456"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.000539706176962, "energy_above_hull": 0.13099394333333225, "formation_energy_per_atom": 0.00036363833333356393, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 9.8e-05, "volume": 103.024000257368}, "record_id": "mp-1094456", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.604589050590596, "alpha": 73.12063249073685, "b": 5.604589050590596, "beta": 73.12063249073685, "c": 6.7850705618291105, "gamma": 30.456476222412636, "matrix": [[1.472128, 5.407796, 0.0], [-1.472128, 5.407796, 0.0], [0.0, 2.04179, 6.47057]], "pbc": [true, true, true], "volume": 103.024000257368}, "properties": {}, "sites": [{"abc": [0.811911, 0.811911, 0.645465], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 10.099202098662001, 4.17652646505]}, {"abc": [0.188089, 0.188089, 0.354535], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 2.758179901338, 2.29404353495]}, {"abc": [0.132962, 0.132962, 0.978203], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.4353478468740004, 6.329530985710001]}, {"abc": [0.530729, 0.530729, 0.704536], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.178662886008, 4.558749505520001]}, {"abc": [0.469271, 0.469271, 0.295464], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 5.678719113992, 1.9118204944800001]}, {"abc": [0.867038, 0.867038, 0.021797], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 9.422034153126, 0.14103901429000001]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.54359294\n_cell_length_b   7.54359294\n_cell_length_c   4.73431800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.29104154\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.00585525\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  Mg  Mg0  1  0.28372700  0.71627300  0.25000000  1.0\n  Mg  Mg1  1  0.71627300  0.28372700  0.75000000  1.0\n  Zn  Zn2  1  0.60759100  0.39240900  0.25000000  1.0\n  Zn  Zn3  1  0.95110800  0.04889200  0.25000000  1.0\n  Zn  Zn4  1  0.04889200  0.95110800  0.75000000  1.0\n  Zn  Zn5  1  0.39240900  0.60759100  0.75000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094460"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.9533327015915525, "energy_above_hull": 0.135881838333332, "formation_energy_per_atom": 0.005251533333333391, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 3.67e-05, "volume": 104.00585525188394}, "record_id": "mp-1094460", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.543592944336405, "alpha": 90.0, "b": 7.543592944336405, "beta": 90.0, "c": 4.734318, "gamma": 157.29104153947887, "matrix": [[1.485171, -7.395949, 0.0], [1.485171, 7.395949, 0.0], [0.0, 0.0, 4.734318]], "pbc": [true, true, true], "volume": 104.00585525188394}, "properties": {}, "sites": [{"abc": [0.283727, 0.716273, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.485171, 3.1990881561540006, 1.1835795]}, {"abc": [0.716273, 0.283727, 0.75], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.485171, -3.1990881561540006, 3.5507385]}, {"abc": [0.607591, 0.392409, 0.25], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.485171, -1.5914750977179999, 1.1835795]}, {"abc": [0.951108, 0.048892, 0.25], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.4851709999999998, -6.672743522984, 1.1835795]}, {"abc": [0.048892, 0.951108, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.4851709999999998, 6.672743522984, 3.5507385]}, {"abc": [0.392409, 0.607591, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.485171, 1.5914750977179999, 3.5507385]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.02146630\n_cell_length_b   5.02146630\n_cell_length_c   5.80543110\n_cell_angle_alpha   60.67113187\n_cell_angle_beta   60.67113187\n_cell_angle_gamma   57.23402513\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   102.14898166\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  Mg  Mg0  1  0.08531500  0.91468500  0.75000000  1.0\n  Mg  Mg1  1  0.91468500  0.08531500  0.25000000  1.0\n  Zn  Zn2  1  0.25181600  0.41782300  0.23818900  1.0\n  Zn  Zn3  1  0.58217700  0.74818400  0.26181100  1.0\n  Zn  Zn4  1  0.41782300  0.25181600  0.73818900  1.0\n  Zn  Zn5  1  0.74818400  0.58217700  0.76181100  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094461"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.043374839491732, "energy_above_hull": 0.09210977499999884, "formation_energy_per_atom": -0.03852052999999985, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0006235, "volume": 102.14898165849462}, "record_id": "mp-1094461", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.021466301016069, "alpha": 60.6711318716196, "b": 5.021466301016069, "beta": 60.6711318716196, "c": 5.805431104035255, "gamma": 57.23402512797238, "matrix": [[2.405044, 4.408048, 0.0], [-2.405044, 4.408048, 0.0], [0.0, 3.239342, 4.817644]], "pbc": [true, true, true], "volume": 102.14898165849462}, "properties": {}, "sites": [{"abc": [0.085315, 0.914685, 0.75], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-1.9946713422800002, 6.8375544999999995, 3.6132329999999997]}, {"abc": [0.914685, 0.085315, 0.25], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.9946713422800002, 5.2178835, 1.204411]}, {"abc": [0.251816, 0.417823, 0.238189], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.39925413930800013, 3.7233764863100003, 1.147509806716]}, {"abc": [0.582177, 0.748184, 0.261811], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-0.399254139308, 6.71239051369, 1.261312193284]}, {"abc": [0.417823, 0.251816, 0.738189], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.39925413930800013, 5.343047486310001, 3.5563318067159995]}, {"abc": [0.748184, 0.582177, 0.761811], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.399254139308, 8.33206151369, 3.670134193284]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2yc", "number": 15, "point_group": "2/m", "symbol": "C2/c", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.97278736\n_cell_length_b   4.97278736\n_cell_length_c   4.77289700\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999152\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   102.21450019\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  Mg  Mg0  1  0.66666700  0.33333300  0.50000000  1.0\n  Mg  Mg1  1  0.33333300  0.66666700  0.50000000  1.0\n  Zn  Zn2  1  0.00000000  0.31962000  0.00000000  1.0\n  Zn  Zn3  1  0.68038000  0.68038000  0.00000000  1.0\n  Zn  Zn4  1  0.31962000  0.00000000  0.00000000  1.0\n  Zn  Zn5  1  0.00000000  0.00000000  0.50000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094463"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.040142083557654, "energy_above_hull": 0.1218010599999988, "formation_energy_per_atom": -0.008829244999999966, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.00193, "volume": 102.21450019371487}, "record_id": "mp-1094463", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.972787362921926, "alpha": 90.0, "b": 4.972787362921926, "beta": 90.0, "c": 4.772897, "gamma": 119.9999915241204, "matrix": [[2.486394, -4.30656, 0.0], [2.486394, 4.30656, 0.0], [0.0, 0.0, 4.772897]], "pbc": [true, true, true], "volume": 102.21450019371487}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.486394, -1.43552287104, 2.3864485]}, {"abc": [0.333333, 0.666667, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.486394, 1.43552287104, 2.3864485]}, {"abc": [0.0, 0.31962, 0.0], "label": "Zn", "properties": {"magmom": -0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.7947012502800002, 1.3764627072000002, 0.0]}, {"abc": [0.68038, 0.68038, 0.0], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.38338549944, 0.0, 0.0]}, {"abc": [0.31962, 0.0, 0.0], "label": "Zn", "properties": {"magmom": 0.001}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.7947012502800002, -1.3764627072000002, 0.0]}, {"abc": [0.0, 0.0, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 2.3864485]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 -2", "number": 189, "point_group": "-6m2", "symbol": "P-62m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.47207630\n_cell_length_b   7.47207630\n_cell_length_c   4.66974800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   156.99083548\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   101.91020320\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  Mg  Mg0  1  0.11020300  0.88979700  0.25000000  1.0\n  Mg  Mg1  1  0.88979700  0.11020300  0.75000000  1.0\n  Zn  Zn2  1  0.44333400  0.55666600  0.25000000  1.0\n  Zn  Zn3  1  0.77933900  0.22066100  0.25000000  1.0\n  Zn  Zn4  1  0.22066100  0.77933900  0.75000000  1.0\n  Zn  Zn5  1  0.55666600  0.44333400  0.75000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094483"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.055191608026026, "energy_above_hull": 0.0733274216666655, "formation_energy_per_atom": -0.057302883333333256, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0024647, "volume": 101.9102031974852}, "record_id": "mp-1094483", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.472076301236022, "alpha": 90.0, "b": 7.472076301236022, "beta": 90.0, "c": 4.669748, "gamma": 156.99083547655195, "matrix": [[1.490278, -7.321953, 0.0], [1.490278, 7.321953, 0.0], [0.0, 0.0, 4.669748]], "pbc": [true, true, true], "volume": 101.9102031974852}, "properties": {}, "sites": [{"abc": [0.110203, 0.889797, 0.25], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.4902779999999998, 5.7081506270819995, 1.167437]}, {"abc": [0.889797, 0.110203, 0.75], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.4902779999999998, -5.7081506270819995, 3.502311]}, {"abc": [0.443334, 0.556666, 0.25], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.490278, 0.8298115773959998, 1.167437]}, {"abc": [0.779339, 0.220661, 0.25], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.490278, -4.090614058134, 1.167437]}, {"abc": [0.220661, 0.779339, 0.75], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.490278, 4.090614058134, 3.502311]}, {"abc": [0.556666, 0.443334, 0.75], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.490278, -0.8298115773959998, 3.502311]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-C 2c 2", "number": 63, "point_group": "mmm", "symbol": "Cmcm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.39296415\n_cell_length_b   5.39296415\n_cell_length_c   6.74951223\n_cell_angle_alpha   78.80490497\n_cell_angle_beta   78.80490497\n_cell_angle_gamma   32.76083376\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.02846725\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  Mg  Mg0  1  0.61806100  0.61806100  0.26680000  1.0\n  Mg  Mg1  1  0.94000200  0.94000200  0.61754500  1.0\n  Zn  Zn2  1  0.99632800  0.99632800  0.00111000  1.0\n  Zn  Zn3  1  0.33610400  0.33610400  0.32932000  1.0\n  Zn  Zn4  1  0.66608700  0.66608700  0.67240200  1.0\n  Zn  Zn5  1  0.27675100  0.27675100  0.94615600  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094492"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.95225602740808, "energy_above_hull": 0.12748254666666536, "formation_energy_per_atom": -0.0031477583333332504, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0005969, "volume": 104.02846725309308}, "record_id": "mp-1094492", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.392964149952881, "alpha": 78.80490497245697, "b": 5.392964149952881, "beta": 78.80490497245697, "c": 6.749512226619713, "gamma": 32.7608337587745, "matrix": [[1.520889, 5.174066, 0.0], [-1.520889, 5.174066, 0.0], [0.0, 1.36586, 6.609867]], "pbc": [true, true, true], "volume": 104.02846725309308}, "properties": {}, "sites": [{"abc": [0.618061, 0.618061, 0.2668], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 6.760188260052, 1.7635125156]}, {"abc": [0.940002, 0.940002, 0.617545], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 10.570744789964001, 4.0818903165150004]}, {"abc": [0.996328, 0.996328, 0.00111], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 10.311649763896, 0.007336952370000001]}, {"abc": [0.336104, 0.336104, 0.32932], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.927853572928, 2.17676140044]}, {"abc": [0.666087, 0.666087, 0.672402], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.811163195203999, 4.444487790534001]}, {"abc": [0.276751, 0.276751, 0.946156], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.156172513292001, 6.253965321252]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.81154750\n_cell_length_b   5.81154750\n_cell_length_c   5.81154751\n_cell_angle_alpha   49.58669028\n_cell_angle_beta   49.58669028\n_cell_angle_gamma   49.58669183\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.61495943\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  Mg  Mg0  1  0.83312900  0.83312900  0.83312900  1.0\n  Mg  Mg1  1  0.16687100  0.16687100  0.16687100  1.0\n  Zn  Zn2  1  0.00000000  0.66197500  0.33802500  1.0\n  Zn  Zn3  1  0.66197500  0.33802500  0.00000000  1.0\n  Zn  Zn4  1  0.50000000  0.50000000  0.50000000  1.0\n  Zn  Zn5  1  0.33802500  0.00000000  0.66197500  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094500"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.924492699750844, "energy_above_hull": 0.14136706999999893, "formation_energy_per_atom": 0.010736765000000167, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0027861, "volume": 104.61495942561143}, "record_id": "mp-1094500", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.811547499628133, "alpha": 49.58669027658777, "b": 5.811547499628133, "beta": 49.58669027658777, "c": 5.811547509237535, "gamma": 49.58669183007951, "matrix": [[5.275875, -2.437053, 0.0], [5.275875, 2.437053, 0.0], [4.150142, 0.0, 4.068219]], "pbc": [true, true, true], "volume": 104.61495942561143}, "properties": {}, "sites": [{"abc": [0.833129, 0.833129, 0.833129], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [12.248572580068, 0.0, 3.3893512272510002]}, {"abc": [0.166871, 0.166871, 0.166871], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.453319419932, 0.0, 0.678867772749]}, {"abc": [0.0, 0.661975, 0.338025], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.8953491026750005, 1.613268159675, 1.375159727475]}, {"abc": [0.661975, 0.338025, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [5.275875, -0.7894833193499999, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [7.350946, 0.0, 2.0341095]}, {"abc": [0.338025, 0.0, 0.661975], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.530667897325, -0.8237848403250001, 2.6930592725249998]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 2\"", "number": 155, "point_group": "32", "symbol": "R32", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.89577208\n_cell_length_b   5.89577208\n_cell_length_c   6.57288092\n_cell_angle_alpha   72.11560537\n_cell_angle_beta   72.11560537\n_cell_angle_gamma   28.90598674\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn2\n_chemical_formula_sum   'Mg2 Zn4'\n_cell_volume   104.73770252\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  Mg  Mg0  1  0.63740000  0.63740000  0.46091500  1.0\n  Mg  Mg1  1  0.36260000  0.36260000  0.53908500  1.0\n  Zn  Zn2  1  0.31051500  0.31051500  0.12627900  1.0\n  Zn  Zn3  1  0.02826500  0.02826500  0.17938100  1.0\n  Zn  Zn4  1  0.97173500  0.97173500  0.82061900  1.0\n  Zn  Zn5  1  0.68948500  0.68948500  0.87372100  1.0\n", "composition": {"Mg": 2.0, "Zn": 4.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn2", "identifiers": {"materials_project_id": "mp-1094504"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.918721640827377, "energy_above_hull": 0.13416478666666531, "formation_energy_per_atom": 0.0035344816666667, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0011474, "volume": 104.73770251603356}, "record_id": "mp-1094504", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.8957720826851, "alpha": 72.11560536555594, "b": 5.8957720826851, "beta": 72.11560536555594, "c": 6.572880915863683, "gamma": 28.905986742576022, "matrix": [[1.4715, 5.709187, 0.0], [-1.4715, 5.709187, 0.0], [0.0, 2.084483, 6.233594]], "pbc": [true, true, true], "volume": 104.73770251603356}, "properties": {}, "sites": [{"abc": [0.6374, 0.6374, 0.460915], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 8.238841069545, 2.87315697851]}, {"abc": [0.3626, 0.3626, 0.539085], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 5.264015930455, 3.36043702149]}, {"abc": [0.310515, 0.310515, 0.126279], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 3.8088028313669997, 0.787172016726]}, {"abc": [0.028265, 0.028265, 0.179381], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.6966569861330001, 1.1181883253140001]}, {"abc": [0.971735, 0.971735, 0.820619], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 12.806200013867, 5.115405674686]}, {"abc": [0.689485, 0.689485, 0.873721], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 9.694054168633, 5.446421983274]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.48229752\n_cell_length_b   5.48229752\n_cell_length_c   5.48229752\n_cell_angle_alpha   149.08895142\n_cell_angle_beta   127.52680423\n_cell_angle_gamma   62.15389017\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn3\n_chemical_formula_sum   'Mg1 Zn3'\n_cell_volume   66.50335608\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  Mg  Mg0  1  0.33664600  0.00000000  0.33664600  1.0\n  Zn  Zn1  1  0.83095100  0.50000000  0.33095100  1.0\n  Zn  Zn2  1  0.24810100  0.24856700  0.99953400  1.0\n  Zn  Zn3  1  0.75096800  0.75143300  0.99953400  1.0\n", "composition": {"Mg": 1.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn3", "identifiers": {"materials_project_id": "mp-1094430"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.50651912232858, "energy_above_hull": 0.08543683797618917, "formation_energy_per_atom": -0.013537836249999824, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 1.68e-05, "volume": 66.50335607882299}, "record_id": "mp-1094430", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.482297518249534, "alpha": 149.08895141524368, "b": 5.482297518249534, "beta": 127.52680422592077, "c": 5.482297518249534, "gamma": 62.153890171419775, "matrix": [[-1.460979, 2.423608, 4.69545], [1.460979, -2.423608, 4.69545], [1.460979, 2.423608, -4.69545]], "pbc": [true, true, true], "volume": 66.50335607882299}, "properties": {}, "sites": [{"abc": [0.336646, 0.0, 0.336646], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 1.6317958775360002, 0.0]}, {"abc": [0.830951, 0.5, 0.330951], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.6041909824160003, 4.69545]}, {"abc": [0.248101, 0.248567, 0.999534], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.460979, 2.421349197344, -2.3611821597000002]}, {"abc": [0.750968, 0.751433, 0.999534], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.4609775390210002, 2.421351620952, 2.3611868551499997]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "I 2 -2", "number": 44, "point_group": "mm2", "symbol": "Imm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.85643402\n_cell_length_b   4.85643402\n_cell_length_c   4.85643402\n_cell_angle_alpha   129.82226433\n_cell_angle_beta   129.82226433\n_cell_angle_gamma   73.69106453\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn3\n_chemical_formula_sum   'Mg1 Zn3'\n_cell_volume   65.92053134\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  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.50000000  0.00000000  1.0\n  Zn  Zn2  1  0.25000000  0.75000000  0.50000000  1.0\n  Zn  Zn3  1  0.75000000  0.25000000  0.50000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn3", "identifiers": {"materials_project_id": "mp-1094476"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.555204039060093, "energy_above_hull": 0.07171987047618922, "formation_energy_per_atom": -0.02725480374999978, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 2.97e-05, "volume": 65.92053133821969}, "record_id": "mp-1094476", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.856434017890493, "alpha": 129.82226432559344, "b": 4.856434017890493, "beta": 129.82226432559344, "c": 4.856434017890493, "gamma": 73.69106452783244, "matrix": [[-2.059242, 2.059242, 3.886386], [2.059242, -2.059242, 3.886386], [2.059242, 2.059242, -3.886386]], "pbc": [true, true, true], "volume": 65.92053133821969}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 3.886386]}, {"abc": [0.25, 0.75, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.0592420000000002, -2.220446049250313e-16, 1.943193]}, {"abc": [0.75, 0.25, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-2.220446049250313e-16, 2.0592420000000002, 1.943193]}], "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"}}}
{"cif": "# generated using pymatgen\ndata_MgZn3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.73242649\n_cell_length_b   5.73242692\n_cell_length_c   4.36563978\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998583\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn3\n_chemical_formula_sum   'Mg2 Zn6'\n_cell_volume   124.23833220\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  Mg  Mg0  1  0.66666700  0.33333300  0.75000000  1.0\n  Mg  Mg1  1  0.33333300  0.66666700  0.25000000  1.0\n  Zn  Zn2  1  0.67970924  0.83985462  0.75000000  1.0\n  Zn  Zn3  1  0.16014538  0.32029076  0.75000000  1.0\n  Zn  Zn4  1  0.16014538  0.83985462  0.75000000  1.0\n  Zn  Zn5  1  0.83985462  0.67970924  0.25000000  1.0\n  Zn  Zn6  1  0.83985462  0.16014538  0.25000000  1.0\n  Zn  Zn7  1  0.32029076  0.16014538  0.25000000  1.0\n", "composition": {"Mg": 2.0, "Zn": 6.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn3", "identifiers": {"materials_project_id": "mp-1094478"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.895153217990707, "energy_above_hull": 0.04111436172618932, "formation_energy_per_atom": -0.05786031249999968, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 124.23833220466526}, "record_id": "mp-1094478", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.73242649, "alpha": 90.0, "b": 5.732426917899962, "beta": 90.0, "c": 4.36563978, "gamma": 119.99998583182396, "matrix": [[5.73242649, 1e-08, 0.0], [-2.86621224, 4.96442804, -0.0], [0.0, 0.0, 4.36563978]], "pbc": [true, true, true], "volume": 124.23833220466526}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.75], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [2.8662164462129103, 1.65480769852399, 3.2742298350000003]}, {"abc": [0.333333, 0.666667, 0.25], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [-2.196212909977291e-06, 3.30962035147601, 1.091409945]}, {"abc": [0.67970924, 0.83985462, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.4891816612092188, 4.169397831848637, 3.2742298350000003]}, {"abc": [0.16014538, 0.32029076, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.2189221388367883e-07, 1.5900604314983642, 3.2742298350000003]}, {"abc": [0.16014538, 0.83985462, 0.75], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.4891799731014324, 4.1693978266529985, 3.2742298350000003]}, {"abc": [0.83985462, 0.67970924, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.8662139281077863, 3.3743676185016356, 1.091409945]}, {"abc": [0.83985462, 0.16014538, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.355394223101433, 0.7950302233470014, 1.091409945]}, {"abc": [0.32029076, 0.16014538, 0.25], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.3770325887907813, 0.7950302181513628, 1.091409945]}], "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_MgZn3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.90159600\n_cell_length_b   4.67577500\n_cell_length_c   4.88236200\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   MgZn3\n_chemical_formula_sum   'Mg1 Zn3'\n_cell_volume   66.24003073\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  Mg  Mg0  1  0.00000000  0.50000000  0.33532500  1.0\n  Zn  Zn1  1  0.00000000  0.00000000  0.99674600  1.0\n  Zn  Zn2  1  0.50000000  0.00000000  0.50360700  1.0\n  Zn  Zn3  1  0.50000000  0.50000000  0.83098800  1.0\n", "composition": {"Mg": 1.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn3", "identifiers": {"materials_project_id": "mp-1094741"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.528409300393377, "energy_above_hull": 0.08581633797618915, "formation_energy_per_atom": -0.013158336249999847, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0009534, "volume": 66.24003073017914}, "record_id": "mp-1094741", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.901596, "alpha": 90.0, "b": 4.675775, "beta": 90.0, "c": 4.882362, "gamma": 90.0, "matrix": [[2.901596, 0.0, 0.0], [0.0, 4.675775, 0.0], [0.0, 0.0, 4.882362]], "pbc": [true, true, true], "volume": 66.24003073017914}, "properties": {}, "sites": [{"abc": [0.0, 0.5, 0.335325], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 2.3378875, 1.6371780376499998]}, {"abc": [0.0, 0.0, 0.996746], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 4.8664747940519995]}, {"abc": [0.5, 0.0, 0.503607], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.450798, 0.0, 2.458791679734]}, {"abc": [0.5, 0.5, 0.830988], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.450798, 2.3378875, 4.057184233656]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "P 2 -2", "number": 25, "point_group": "mm2", "symbol": "Pmm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.96628632\n_cell_length_b   3.96628632\n_cell_length_c   3.96628632\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   MgZn3\n_chemical_formula_sum   'Mg1 Zn3'\n_cell_volume   62.39534439\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  Mg  Mg0  1  -0.00000000  -0.00000000  -0.00000000  1.0\n  Zn  Zn1  1  0.50000000  0.50000000  -0.00000000  1.0\n  Zn  Zn2  1  0.50000000  0.00000000  0.50000000  1.0\n  Zn  Zn3  1  0.00000000  0.50000000  0.50000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn3", "identifiers": {"materials_project_id": "mp-1094867"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.8690597117996095, "energy_above_hull": 0.05199323797618893, "formation_energy_per_atom": -0.046981436250000064, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 62.39534438724907}, "record_id": "mp-1094867", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.96628632, "alpha": 90.0, "b": 3.96628632, "beta": 90.0, "c": 3.96628632, "gamma": 90.0, "matrix": [[3.96628632, -0.0, -0.0], [0.0, 3.96628632, -0.0], [0.0, -0.0, 3.96628632]], "pbc": [true, true, true], "volume": 62.39534438724907}, "properties": {}, "sites": [{"abc": [-0.0, -0.0, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.98314316, 1.98314316, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.98314316, 0.0, 1.98314316]}, {"abc": [0.0, 0.5, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.98314316, 1.98314316]}], "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_MgZn3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.97720957\n_cell_length_b   2.97720957\n_cell_length_c   8.77860300\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999052\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn3\n_chemical_formula_sum   'Mg1 Zn3'\n_cell_volume   67.38680969\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  Mg  Mg0  1  0.66666700  0.33333300  0.50000000  1.0\n  Zn  Zn1  1  0.66666700  0.33333300  0.00000000  1.0\n  Zn  Zn2  1  0.00000000  0.00000000  0.75983300  1.0\n  Zn  Zn3  1  0.00000000  0.00000000  0.24016700  1.0\n", "composition": {"Mg": 1.0, "Zn": 3.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn3", "identifiers": {"materials_project_id": "mp-1094920"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.4343276319815, "energy_above_hull": 0.11812754297618921, "formation_energy_per_atom": 0.019152868750000218, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 8.68e-05, "volume": 67.3868096932423}, "record_id": "mp-1094920", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.9772095735681763, "alpha": 90.0, "b": 2.9772095735681763, "beta": 90.0, "c": 8.778603, "gamma": 119.99999052384378, "matrix": [[1.488605, -2.578339, 0.0], [1.488605, 2.578339, 0.0], [0.0, 0.0, 8.778603]], "pbc": [true, true, true], "volume": 67.3868096932423}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.5], "label": "Mg", "properties": {"magmom": 0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.488605, -0.8594480522260001, 4.3893015]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.488605, -0.8594480522260001, 0.0]}, {"abc": [0.0, 0.0, 0.759833], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 6.670272253299]}, {"abc": [0.0, 0.0, 0.240167], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 2.108330746701]}], "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_MgZn5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   9.86458361\n_cell_length_b   9.86458361\n_cell_length_c   8.85243832\n_cell_angle_alpha   67.94503849\n_cell_angle_beta   67.94503849\n_cell_angle_gamma   29.61528299\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn5\n_chemical_formula_sum   'Mg4 Zn20'\n_cell_volume   392.27643415\n_cell_formula_units_Z   4\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  Mg  Mg0  1  0.28090500  0.28090500  0.37363500  1.0\n  Mg  Mg1  1  0.71909500  0.71909500  0.62636500  1.0\n  Mg  Mg2  1  0.46648700  0.46648700  0.20212800  1.0\n  Mg  Mg3  1  0.53351300  0.53351300  0.79787200  1.0\n  Zn  Zn4  1  0.50000000  0.50000000  0.50000000  1.0\n  Zn  Zn5  1  0.03533600  0.03533600  0.29540500  1.0\n  Zn  Zn6  1  0.21079700  0.21079700  0.12546800  1.0\n  Zn  Zn7  1  0.12314500  0.12314500  0.71189900  1.0\n  Zn  Zn8  1  0.87685500  0.87685500  0.28810100  1.0\n  Zn  Zn9  1  0.12298900  0.61614700  0.03820300  1.0\n  Zn  Zn10  1  0.11910300  0.62489500  0.54026400  1.0\n  Zn  Zn11  1  0.96466400  0.96466400  0.70459500  1.0\n  Zn  Zn12  1  0.74676400  0.74676400  0.23552000  1.0\n  Zn  Zn13  1  0.37510500  0.88089700  0.45973600  1.0\n  Zn  Zn14  1  0.62489500  0.11910300  0.54026400  1.0\n  Zn  Zn15  1  0.88089700  0.37510500  0.45973600  1.0\n  Zn  Zn16  1  0.38385300  0.87701100  0.96179700  1.0\n  Zn  Zn17  1  0.78920300  0.78920300  0.87453200  1.0\n  Zn  Zn18  1  0.61614700  0.12298900  0.03820300  1.0\n  Zn  Zn19  1  0.87701100  0.38385300  0.96179700  1.0\n  Zn  Zn20  1  0.00000000  0.00000000  0.00000000  1.0\n  Zn  Zn21  1  0.38798700  0.38798700  0.77897100  1.0\n  Zn  Zn22  1  0.61201300  0.61201300  0.22102900  1.0\n  Zn  Zn23  1  0.25323600  0.25323600  0.76448000  1.0\n", "composition": {"Mg": 4.0, "Zn": 20.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn5", "identifiers": {"materials_project_id": "mp-580931"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.94917615309884, "energy_above_hull": 0.03014021803571265, "formation_energy_per_atom": -0.03717882541666665, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0031009, "volume": 392.27643414871244}, "record_id": "mp-580931", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 9.86458361471583, "alpha": 67.9450384873678, "b": 9.86458361471583, "beta": 67.9450384873678, "c": 8.85243832309048, "gamma": 29.615282994247014, "matrix": [[2.521138, 9.536974, 0.0], [-2.521138, 9.536974, 0.0], [0.0, 3.43824, 8.157461]], "pbc": [true, true, true], "volume": 392.27643414871244}, "properties": {}, "sites": [{"abc": [0.280905, 0.280905, 0.373635], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 6.642614165340001, 3.047912940735]}, {"abc": [0.719095, 0.719095, 0.626365], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 15.86957383466, 5.109548059264999]}, {"abc": [0.466487, 0.466487, 0.202128], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 9.592713355396, 1.648851277008]}, {"abc": [0.533513, 0.533513, 0.797872], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 12.919474644604001, 6.508609722992]}, {"abc": [0.5, 0.5, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 11.256094000000001, 4.0787305]}, {"abc": [0.035336, 0.035336, 0.295405], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 1.689670313728, 2.409754766705]}, {"abc": [0.210797, 0.210797, 0.125468], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.452120112876001, 1.023500316748]}, {"abc": [0.123145, 0.123145, 0.711899], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.79654094422, 5.807288328438999]}, {"abc": [0.876855, 0.876855, 0.288101], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 17.715647055780003, 2.350172671561]}, {"abc": [0.122989, 0.616147, 0.038203], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.243319373804, 7.180471897184001, 0.311639482583]}, {"abc": [0.119103, 0.624895, 0.540264], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.275171431296, 8.953046877412, 4.407182509704]}, {"abc": [0.964664, 0.964664, 0.704595], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 20.822517686272, 5.747706233294999]}, {"abc": [0.746764, 0.746764, 0.23552], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 15.053511989072, 1.9212452147199999]}, {"abc": [0.375105, 0.880897, 0.459736], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.2751714312960003, 13.559141122588, 3.7502784902959996]}, {"abc": [0.624895, 0.119103, 0.540264], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.275171431296, 8.953046877412, 4.407182509704]}, {"abc": [0.880897, 0.375105, 0.459736], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.2751714312960003, 13.559141122588, 3.7502784902959996]}, {"abc": [0.383853, 0.877011, 0.961797], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [-1.243319373804, 15.331716102816001, 7.845821517417]}, {"abc": [0.789203, 0.789203, 0.874532], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 18.060067887124, 7.133960683251999]}, {"abc": [0.616147, 0.122989, 0.038203], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.243319373804, 7.180471897184001, 0.311639482583]}, {"abc": [0.877011, 0.383853, 0.961797], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.243319373804, 15.331716102816001, 7.845821517417]}, {"abc": [0.0, 0.0, 0.0], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.387987, 0.387987, 0.778971], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 10.078733113716002, 6.354425552631]}, {"abc": [0.612013, 0.612013, 0.221029], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 12.433454886284002, 1.803035447369]}, {"abc": [0.253236, 0.253236, 0.76448], "label": "Zn", "properties": {"magmom": 0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 7.458676010928, 6.23621578528]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "-C 2y", "number": 12, "point_group": "2/m", "symbol": "C2/m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.38959715\n_cell_length_b   5.38959715\n_cell_length_c   5.38959710\n_cell_angle_alpha   52.43621118\n_cell_angle_beta   52.43621118\n_cell_angle_gamma   52.43621802\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn5\n_chemical_formula_sum   'Mg1 Zn5'\n_cell_volume   91.04085867\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  Mg  Mg0  1  0.50000000  0.50000000  0.50000000  1.0\n  Zn  Zn1  1  -0.00000000  0.67071478  0.32928522  1.0\n  Zn  Zn2  1  0.83627446  0.83627446  0.83627446  1.0\n  Zn  Zn3  1  0.67071478  0.32928522  -0.00000000  1.0\n  Zn  Zn4  1  0.32928522  0.00000000  0.67071478  1.0\n  Zn  Zn5  1  0.16372554  0.16372554  0.16372554  1.0\n", "composition": {"Mg": 1.0, "Zn": 5.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn5", "identifiers": {"materials_project_id": "mp-1094194"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.40844572861486, "energy_above_hull": 0.04761991595237891, "formation_energy_per_atom": -0.01969912750000047, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 91.04085866872843}, "record_id": "mp-1094194", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.389597154035343, "alpha": 52.43621118028456, "b": 5.389597154035343, "beta": 52.43621118028456, "c": 5.389597096742859, "gamma": 52.43621801914566, "matrix": [[4.83384211, -2.381067, -0.11067014], [4.83384211, 2.381067, -0.11067014], [3.75208555, 0.0, 3.86905814]], "pbc": [true, true, true], "volume": 91.04085866872843}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [6.709884885, 0.0, 1.8238589299999999]}, {"abc": [-0.0, 0.67071478, 0.32928522], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.477635663153956, 1.5970168290702598, 1.1997955622200216]}, {"abc": [0.83627446, 0.83627446, 0.83627446], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [11.222610717731076, 0.0, 3.050493283603856]}, {"abc": [0.67071478, 0.32928522, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.833842109999999, -0.8129666581405198, -0.11067014]}, {"abc": [0.32928522, 0.0, 0.67071478], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [4.108291996846043, -0.7840501709297399, 2.558592437779978]}, {"abc": [0.16372554, 0.16372554, 0.16372554], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.1971590522689257, 0.0, 0.5972245763961443]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Trigonal", "hall": "R 3 2\"", "number": 155, "point_group": "32", "symbol": "R32", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.79726564\n_cell_length_b   2.79726564\n_cell_length_c   14.37267700\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999146\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn5\n_chemical_formula_sum   'Mg1 Zn5'\n_cell_volume   97.39479681\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  Mg  Mg0  1  0.66666700  0.33333300  0.00000000  1.0\n  Zn  Zn1  1  0.00000000  0.00000000  0.82495200  1.0\n  Zn  Zn2  1  0.66666700  0.33333300  0.66362100  1.0\n  Zn  Zn3  1  0.00000000  0.00000000  0.50000000  1.0\n  Zn  Zn4  1  0.66666700  0.33333300  0.33637900  1.0\n  Zn  Zn5  1  0.00000000  0.00000000  0.17504800  1.0\n", "composition": {"Mg": 1.0, "Zn": 5.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn5", "identifiers": {"materials_project_id": "mp-1094428"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.990365203978825, "energy_above_hull": 0.10683588761904605, "formation_energy_per_atom": 0.03951684416666682, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0010251, "volume": 97.39479681097325}, "record_id": "mp-1094428", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.7972656387440216, "alpha": 90.0, "b": 2.7972656387440216, "beta": 90.0, "c": 14.372677, "gamma": 119.99999145576189, "matrix": [[1.398633, -2.422503, 0.0], [1.398633, 2.422503, 0.0], [0.0, 0.0, 14.372677]], "pbc": [true, true, true], "volume": 97.39479681097325}, "properties": {}, "sites": [{"abc": [0.666667, 0.333333, 0.0], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.398633, -0.8075026150019999, 0.0]}, {"abc": [0.0, 0.0, 0.824952], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 11.856768636504]}, {"abc": [0.666667, 0.333333, 0.663621], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.398633, -0.8075026150019999, 9.538010283417]}, {"abc": [0.0, 0.0, 0.5], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 7.1863385]}, {"abc": [0.666667, 0.333333, 0.336379], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.398633, -0.8075026150019999, 4.8346667165829995]}, {"abc": [0.0, 0.0, 0.175048], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 0.0, 2.515908363496]}], "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_MgZn5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.85107112\n_cell_length_b   4.85107112\n_cell_length_c   4.43580243\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99998332\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn5\n_chemical_formula_sum   'Mg1 Zn5'\n_cell_volume   90.40202986\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  Mg  Mg0  1  0.00000000  0.00000000  -0.00000000  1.0\n  Zn  Zn1  1  -0.00000000  0.36335603  0.50000000  1.0\n  Zn  Zn2  1  0.63664397  0.63664397  0.50000000  1.0\n  Zn  Zn3  1  0.36335603  -0.00000000  0.50000000  1.0\n  Zn  Zn4  1  0.66666700  0.33333300  0.00000000  1.0\n  Zn  Zn5  1  0.33333300  0.66666700  0.00000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 5.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn5", "identifiers": {"materials_project_id": "mp-1094462"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.453731213275875, "energy_above_hull": 0.04847130428571189, "formation_energy_per_atom": -0.01884773916666734, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 90.40202986217894}, "record_id": "mp-1094462", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.851071117140986, "alpha": 90.0, "b": 4.851071117140986, "beta": 90.0, "c": 4.43580243, "gamma": 119.999983322507, "matrix": [[2.42553617, -4.20115047, -0.0], [2.42553617, 4.20115047, 0.0], [-0.0, 0.0, 4.43580243]], "pbc": [true, true, true], "volume": 90.40202986217894}, "properties": {}, "sites": [{"abc": [0.0, 0.0, -0.0], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [-0.0, 0.36335603, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.8813331933526051, 1.526513356211834, 2.217901215]}, {"abc": [0.63664397, 0.63664397, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [3.0884059532947896, 0.0, 2.217901215]}, {"abc": [0.36335603, -0.0, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.8813331933526051, -1.526513356211834, 2.217901215]}, {"abc": [0.666667, 0.333333, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.42553617, -1.4003862907669802, 0.0]}, {"abc": [0.333333, 0.666667, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [2.42553617, 1.4003862907669802, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P -6 -2", "number": 189, "point_group": "-6m2", "symbol": "P-62m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.31445540\n_cell_length_b   7.31445540\n_cell_length_c   4.48624459\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   157.71170939\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn5\n_chemical_formula_sum   'Mg1 Zn5'\n_cell_volume   91.03157890\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  Mg  Mg0  1  0.77795786  0.22204214  0.50000000  1.0\n  Zn  Zn1  1  0.00001126  0.99998874  -0.00000000  1.0\n  Zn  Zn2  1  0.33842172  0.66157828  0.00000000  1.0\n  Zn  Zn3  1  0.66379363  0.33620637  0.00000000  1.0\n  Zn  Zn4  1  0.10593086  0.89406914  0.50000000  1.0\n  Zn  Zn5  1  0.44721567  0.55278433  0.50000000  1.0\n", "composition": {"Mg": 1.0, "Zn": 5.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn5", "identifiers": {"materials_project_id": "mp-1094484"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.409099006338783, "energy_above_hull": 0.044126105952380534, "formation_energy_per_atom": -0.023192937499998845, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 91.03157889868957}, "record_id": "mp-1094484", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 7.314455401407451, "alpha": 90.0, "b": 7.314455401407451, "beta": 90.0, "c": 4.48624459, "gamma": 157.7117093866233, "matrix": [[1.41372314, -7.17653431, 0.0], [1.41372314, 7.17653431, 0.0], [0.0, 0.0, 4.48624459]], "pbc": [true, true, true], "volume": 91.03157889868957}, "properties": {}, "sites": [{"abc": [0.77795786, 0.22204214, 0.5], "label": "Mg", "properties": {}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [1.41372314, -3.9895482380483527, 2.243122295]}, {"abc": [1.126e-05, 0.99998874, -0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.41372314, 7.176372694447339, 0.0]}, {"abc": [0.33842172, 0.66157828, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.41372314, 2.3191441403415736, 0.0]}, {"abc": [0.66379363, 0.33620637, 0.0], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.41372314, -2.3509412109088905, 0.0]}, {"abc": [0.10593086, 0.89406914, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.41372314, 5.656101407444387, 2.243122295]}, {"abc": [0.44721567, 0.55278433, 0.5], "label": "Zn", "properties": {}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [1.41372314, 0.7576171105507252, 2.243122295]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "A 2 -2", "number": 38, "point_group": "mm2", "symbol": "Amm2", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MgZn5\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.45750637\n_cell_length_b   5.45750637\n_cell_length_c   6.57922287\n_cell_angle_alpha   75.30846462\n_cell_angle_beta   75.30846462\n_cell_angle_gamma   30.43774978\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MgZn5\n_chemical_formula_sum   'Mg1 Zn5'\n_cell_volume   95.78244005\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  Mg  Mg0  1  0.61267900  0.61267900  0.27426700  1.0\n  Zn  Zn1  1  0.99764900  0.99764900  0.99490100  1.0\n  Zn  Zn2  1  0.33552200  0.33552200  0.33642400  1.0\n  Zn  Zn3  1  0.94086400  0.94086400  0.61905500  1.0\n  Zn  Zn4  1  0.66659500  0.66659500  0.66856400  1.0\n  Zn  Zn5  1  0.28002400  0.28002400  0.94012300  1.0\n", "composition": {"Mg": 1.0, "Zn": 5.0}, "description": "", "elements": ["Mg", "Zn"], "formula": "MgZn5", "identifiers": {"materials_project_id": "mp-1094485"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.091204207629321, "energy_above_hull": 0.07428632595237938, "formation_energy_per_atom": 0.006967282500000079, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0057817, "volume": 95.78244005254115}, "record_id": "mp-1094485", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.457506369625234, "alpha": 75.30846461891164, "b": 5.457506369625234, "beta": 75.30846461891164, "c": 6.57922286500503, "gamma": 30.437749778451217, "matrix": [[1.432634, 5.266112, 0.0], [-1.432634, 5.266112, 0.0], [0.0, 1.729234, 6.347907]], "pbc": [true, true, true], "volume": 95.78244005254115}, "properties": {}, "sites": [{"abc": [0.612679, 0.612679, 0.274267], "label": "Mg", "properties": {"magmom": -0.0}, "species": [{"element": "Mg", "occu": 1.0}], "xyz": [0.0, 6.927144289574, 1.741021409169]}, {"abc": [0.997649, 0.997649, 0.994901], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 12.22787937721, 6.315539022207]}, {"abc": [0.335522, 0.335522, 0.336424], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.115548680143999, 2.135588264568]}, {"abc": [0.940864, 0.940864, 0.619055], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 10.979881355405999, 3.9297035678850003]}, {"abc": [0.666595, 0.666595, 0.668564], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 8.176831457256, 4.2439820955480005]}, {"abc": [0.280024, 0.280024, 0.940123], "label": "Zn", "properties": {"magmom": -0.0}, "species": [{"element": "Zn", "occu": 1.0}], "xyz": [0.0, 4.574968149158, 5.967813372561]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2y", "number": 8, "point_group": "m", "symbol": "Cm", "symprec": 0.1, "version": "2.7.0"}}}