raw/materials_project/materials_project-part-135.jsonl

{"cif": "# generated using pymatgen\ndata_Mo15N16\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   8.04723994\n_cell_length_b   8.04723994\n_cell_length_c   9.96003616\n_cell_angle_alpha   89.98058602\n_cell_angle_beta   89.98058602\n_cell_angle_gamma   90.95457185\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mo15N16\n_chemical_formula_sum   'Mo30 N32'\n_cell_volume   644.90313661\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  Mo  Mo0  1  0.49502100  0.74573800  0.01027800  1.0\n  Mo  Mo1  1  0.49504700  0.74405500  0.50106300  1.0\n  Mo  Mo2  1  0.61335500  0.62850700  0.24432200  1.0\n  Mo  Mo3  1  0.62850700  0.61335500  0.74432200  1.0\n  Mo  Mo4  1  0.99717500  0.74399100  0.49256900  1.0\n  Mo  Mo5  1  0.74573800  0.49502100  0.51027800  1.0\n  Mo  Mo6  1  0.74405500  0.49504700  0.00106300  1.0\n  Mo  Mo7  1  0.99431100  0.74345500  0.99779500  1.0\n  Mo  Mo8  1  0.87716600  0.38888700  0.74615000  1.0\n  Mo  Mo9  1  0.11605100  0.62558800  0.25691200  1.0\n  Mo  Mo10  1  0.86619700  0.35300200  0.24323000  1.0\n  Mo  Mo11  1  0.24516100  0.49714500  0.98755200  1.0\n  Mo  Mo12  1  0.99694000  0.24464100  0.00844100  1.0\n  Mo  Mo13  1  0.99302500  0.24451200  0.50213700  1.0\n  Mo  Mo14  1  0.24283400  0.49470400  0.49863100  1.0\n  Mo  Mo15  1  0.11510700  0.12691400  0.24373900  1.0\n  Mo  Mo16  1  0.36764800  0.37580200  0.75701500  1.0\n  Mo  Mo17  1  0.12691400  0.11510700  0.74373900  1.0\n  Mo  Mo18  1  0.37580200  0.36764800  0.25701500  1.0\n  Mo  Mo19  1  0.24464100  0.99694000  0.50844100  1.0\n  Mo  Mo20  1  0.49714500  0.24516100  0.48755200  1.0\n  Mo  Mo21  1  0.24451200  0.99302500  0.00213700  1.0\n  Mo  Mo22  1  0.49470400  0.24283400  0.99863100  1.0\n  Mo  Mo23  1  0.35300200  0.86619700  0.74323000  1.0\n  Mo  Mo24  1  0.38888700  0.87716600  0.24615000  1.0\n  Mo  Mo25  1  0.62558800  0.11605100  0.75691200  1.0\n  Mo  Mo26  1  0.74345500  0.99431100  0.49779500  1.0\n  Mo  Mo27  1  0.74399100  0.99717500  0.99256900  1.0\n  Mo  Mo28  1  0.86592100  0.87662900  0.75513300  1.0\n  Mo  Mo29  1  0.87662900  0.86592100  0.25513300  1.0\n  N  N30  1  0.24831500  0.74570500  0.91600800  1.0\n  N  N31  1  0.37238200  0.61897700  0.66770800  1.0\n  N  N32  1  0.36367700  0.61596600  0.16603600  1.0\n  N  N33  1  0.49799100  0.49941800  0.91654900  1.0\n  N  N34  1  0.74924500  0.74905500  0.58393900  1.0\n  N  N35  1  0.49941800  0.49799100  0.41654900  1.0\n  N  N36  1  0.61596600  0.36367700  0.66603600  1.0\n  N  N37  1  0.61897700  0.37238200  0.16770800  1.0\n  N  N38  1  0.86321300  0.61333400  0.33389400  1.0\n  N  N39  1  0.87413300  0.62363500  0.83495100  1.0\n  N  N40  1  0.99954600  0.49781300  0.58262900  1.0\n  N  N41  1  0.74570500  0.24831500  0.41600800  1.0\n  N  N42  1  0.74831600  0.24890500  0.91804500  1.0\n  N  N43  1  0.99726800  0.49725700  0.08350400  1.0\n  N  N44  1  0.11782600  0.37002000  0.83212700  1.0\n  N  N45  1  0.86593300  0.11244400  0.16560900  1.0\n  N  N46  1  0.87063200  0.12385000  0.66697300  1.0\n  N  N47  1  0.11934200  0.37009900  0.33397300  1.0\n  N  N48  1  0.99865500  0.99683600  0.91546700  1.0\n  N  N49  1  0.24905000  0.24863000  0.08366900  1.0\n  N  N50  1  0.99683600  0.99865500  0.41546700  1.0\n  N  N51  1  0.24863000  0.24905000  0.58366900  1.0\n  N  N52  1  0.37002000  0.11782600  0.33212700  1.0\n  N  N53  1  0.11244400  0.86593300  0.66560900  1.0\n  N  N54  1  0.12385000  0.87063200  0.16697300  1.0\n  N  N55  1  0.37009900  0.11934200  0.83397300  1.0\n  N  N56  1  0.49725700  0.99726800  0.58350400  1.0\n  N  N57  1  0.24890500  0.74831600  0.41804500  1.0\n  N  N58  1  0.49781300  0.99954600  0.08262900  1.0\n  N  N59  1  0.61333400  0.86321300  0.83389400  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"occu": 1.0}], "xyz": [-1.4372225055780001, 8.453007702043, 3.336123683285]}, {"abc": [0.749055, 0.749245, 0.083939], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-0.0010901175899995508, 8.454801476407, 0.8360353778649999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Monoclinic", "hall": "C -2yc", "number": 9, "point_group": "m", "symbol": "Cc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mo15N16\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   7.97625374\n_cell_length_b   7.97625374\n_cell_length_c   10.00610704\n_cell_angle_alpha   89.95391237\n_cell_angle_beta   89.95391237\n_cell_angle_gamma   91.58537679\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mo15N16\n_chemical_formula_sum   'Mo30 N32'\n_cell_volume   636.35066415\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  Mo  Mo0  1  0.49042098  0.74924662  0.01480809  1.0\n  Mo  Mo1  1  0.49231945  0.75146992  0.51183938  1.0\n  Mo  Mo2  1  0.61460884  0.62398421  0.23481574  1.0\n  Mo  Mo3  1  0.62398421  0.61460884  0.73481574  1.0\n  Mo  Mo4  1  0.99134019  0.75022370  0.48972739  1.0\n  Mo  Mo5  1  0.74924662  0.49042098  0.51480809  1.0\n  Mo  Mo6  1  0.75146992  0.49231945  0.01183938  1.0\n  Mo  Mo7  1  0.98986567  0.75327861  0.98550244  1.0\n  Mo  Mo8  1  0.88153491  0.38344421  0.74208100  1.0\n  Mo  Mo9  1  0.11677692  0.61820242  0.26632966  1.0\n  Mo  Mo10  1  0.85878760  0.35703699  0.23409208  1.0\n  Mo  Mo11  1  0.25294059  0.49006992  0.98463365  1.0\n  Mo  Mo12  1  0.99241097  0.25124539  0.01161909  1.0\n  Mo  Mo13  1  0.99072072  0.24933115  0.51475710  1.0\n  Mo  Mo14  1  0.25013195  0.49164283  0.48975798  1.0\n  Mo  Mo15  1  0.12245155  0.11639283  0.23436928  1.0\n  Mo  Mo16  1  0.37049746  0.36911850  0.76330952  1.0\n  Mo  Mo17  1  0.11639283  0.12245155  0.73436928  1.0\n  Mo  Mo18  1  0.36911850  0.37049746  0.26330952  1.0\n  Mo  Mo19  1  0.25124539  0.99241097  0.51161909  1.0\n  Mo  Mo20  1  0.49006992  0.25294059  0.48463365  1.0\n  Mo  Mo21  1  0.24933115  0.99072072  0.01475710  1.0\n  Mo  Mo22  1  0.49164283  0.25013195  0.98975798  1.0\n  Mo  Mo23  1  0.35703699  0.85878760  0.73409208  1.0\n  Mo  Mo24  1  0.38344421  0.88153491  0.24208100  1.0\n  Mo  Mo25  1  0.61820242  0.11677692  0.76632966  1.0\n  Mo  Mo26  1  0.75327861  0.98986567  0.48550244  1.0\n  Mo  Mo27  1  0.75022370  0.99134019  0.98972739  1.0\n  Mo  Mo28  1  0.86751925  0.87188372  0.76303804  1.0\n  Mo  Mo29  1  0.87188372  0.86751925  0.26303804  1.0\n  N  N30  1  0.25047794  0.75096709  0.91905778  1.0\n  N  N31  1  0.36987348  0.61207751  0.66798839  1.0\n  N  N32  1  0.35987059  0.61178129  0.16605745  1.0\n  N  N33  1  0.50650181  0.50377744  0.91517679  1.0\n  N  N34  1  0.75229619  0.75365333  0.58482637  1.0\n  N  N35  1  0.50377744  0.50650181  0.41517679  1.0\n  N  N36  1  0.61178129  0.35987059  0.66605745  1.0\n  N  N37  1  0.61207751  0.36987348  0.16798839  1.0\n  N  N38  1  0.85914074  0.61061018  0.33484725  1.0\n  N  N39  1  0.87035782  0.61741336  0.83456461  1.0\n  N  N40  1  0.00122635  0.50148899  0.57884484  1.0\n  N  N41  1  0.75096709  0.25047794  0.41905778  1.0\n  N  N42  1  0.75076405  0.25062424  0.91835614  1.0\n  N  N43  1  0.00523398  0.50505551  0.08427371  1.0\n  N  N44  1  0.11682824  0.37023195  0.83354352  1.0\n  N  N45  1  0.86932790  0.11118005  0.16713232  1.0\n  N  N46  1  0.86064102  0.11307522  0.66637880  1.0\n  N  N47  1  0.11132759  0.35985461  0.33488404  1.0\n  N  N48  1  0.00397533  0.00649725  0.91489815  1.0\n  N  N49  1  0.25276458  0.25420531  0.08453742  1.0\n  N  N50  1  0.00649725  0.00397533  0.41489815  1.0\n  N  N51  1  0.25420531  0.25276458  0.58453742  1.0\n  N  N52  1  0.37023195  0.11682824  0.33354352  1.0\n  N  N53  1  0.11118005  0.86932790  0.66713232  1.0\n  N  N54  1  0.11307522  0.86064102  0.16637880  1.0\n  N  N55  1  0.35985461  0.11132759  0.83488404  1.0\n  N  N56  1  0.50505551  0.00523398  0.58427371  1.0\n  N  N57  1  0.25062424  0.75076405  0.41835614  1.0\n  N  N58  1  0.50148899  0.00122635  0.07884484  1.0\n  N  N59  1  0.61061018  0.85914074  0.83484725  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{"abc": [0.50650181, 0.50377744, 0.91517679], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.015576725098962463, 5.626027882103729, 9.159317049907061]}, {"abc": [0.75229619, 0.75365333, 0.58482637], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-0.007759517503424185, 8.380037192997797, 5.854759603828509]}, {"abc": [0.50377744, 0.50650181, 0.41517679], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-0.015576725098962463, 5.622004182103729, 4.156265149907062]}, {"abc": [0.61178129, 0.35987059, 0.66605745], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.440312337673375, 5.4091971905323994, 6.666528017664376]}, {"abc": [0.61207751, 0.36987348, 0.16798839], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.3848139544815372, 5.4624674792753245, 1.6828173161425706]}, {"abc": [0.85914074, 0.61061018, 0.33484725], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.4209862139912, 8.176707174862633, 3.35337224305222]}, {"abc": [0.87035782, 0.61741336, 0.83456461], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.4462229134535742, 8.28094818785602, 8.3536310334018]}, {"abc": [0.00122635, 0.50148899, 0.57884484], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-2.8602772826603, 2.8005070910430967, 5.792958389365853]}, {"abc": [0.75096709, 0.25047794, 0.41905778], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.861572365193937, 5.572903942828675, 4.195081572744257]}, {"abc": [0.75076405, 0.25062424, 0.91835614], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.859574995840263, 5.576606437219532, 9.191112679821396]}, {"abc": [0.00523398, 0.50505551, 0.08427371], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-2.857755213628413, 2.8386506773674585, 0.8442430435849068]}, {"abc": [0.11682824, 0.37023195, 0.83354352], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4488486988651372, 2.715490713342315, 8.341469399333768]}, {"abc": [0.8693279, 0.11118005, 0.16713232], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.334749187452312, 5.454435130262934, 1.67424858686262]}, {"abc": [0.86064102, 0.11307522, 0.6663788], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.27424577424725, 5.420680704568381, 6.6697474904197085]}, {"abc": [0.11132759, 0.35985461, 0.33488404], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4209659738597753, 2.6231724376188943, 3.351800028759816]}, {"abc": [0.00397533, 0.00649725, 0.91489815], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-0.014419206848400003, 0.06560575362194221, 9.15458620480762]}, {"abc": [0.25276458, 0.25420531, 0.08453742], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-0.008237447612412518, 2.8201908604465484, 0.8468753028368528]}, {"abc": [0.00649725, 0.00397533, 0.41489815], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.014419206848400003, 0.06158205362194221, 4.15153430480762]}, {"abc": [0.25420531, 0.25276458, 0.58453742], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.008237447612412518, 2.8242145604465483, 5.849927202836853]}, {"abc": [0.37023195, 0.11682824, 0.33354352], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.4488486988651372, 2.711467013342315, 3.3384174993337687]}, {"abc": [0.11118005, 0.8693279, 0.66713232], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-4.334749187452312, 5.458458830262934, 6.67730048686262]}, {"abc": [0.11307522, 0.86064102, 0.1663788], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-4.27424577424725, 5.416657004568382, 1.6666955904197087]}, {"abc": [0.35985461, 0.11132759, 0.83488404], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.4209659738597753, 2.627196137618894, 8.354851928759818]}, {"abc": [0.50505551, 0.00523398, 0.58427371], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.857755213628413, 2.8426743773674583, 5.847294943584907]}, {"abc": [0.25062424, 0.75076405, 0.41835614], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-2.859574995840263, 5.572582737219531, 4.188060779821396]}, {"abc": [0.50148899, 0.00122635, 0.07884484], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.8602772826603, 2.796483391043097, 0.7899064893658528]}, {"abc": [0.61061018, 0.85914074, 0.83484725], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4209862139912, 8.180730874862633, 8.356424143052221]}, {"abc": [0.61741336, 0.87035782, 0.33456461], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4462229134535742, 8.27692448785602, 3.350579133401799]}, {"abc": [0.75365333, 0.75229619, 0.08482637], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.007759517503424185, 8.376013492997798, 0.8517077038285084]}], "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_Mo2N\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.25556809\n_cell_length_b   4.25556873\n_cell_length_c   4.98560663\n_cell_angle_alpha   115.26372544\n_cell_angle_beta   115.26372516\n_cell_angle_gamma   89.99999789\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mo2N\n_chemical_formula_sum   'Mo4 N2'\n_cell_volume   71.98834035\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  Mo  Mo0  1  0.36196524  0.11196524  0.72392848  1.0\n  Mo  Mo1  1  0.11196524  0.36196524  0.22392848  1.0\n  Mo  Mo2  1  0.88803476  0.63803476  0.77607152  1.0\n  Mo  Mo3  1  0.63803476  0.88803476  0.27607152  1.0\n  N  N4  1  0.62500000  0.37500000  0.25000000  1.0\n  N  N5  1  0.37500000  0.62500000  0.75000000  1.0\n", "composition": {"Mo": 4.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "Mo2N", "identifiers": {"materials_project_id": "mp-27953"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 9.498285624551674, "energy_above_hull": 0.004063535833333631, "formation_energy_per_atom": -0.36008341000000027, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 0.0, "volume": 71.98834034581864}, "record_id": "mp-27953", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.255568086201262, "alpha": 115.26372543853999, "b": 4.2555687309209, "beta": 115.26372515908152, "c": 4.985606626468543, "gamma": 89.99999788560318, "matrix": [[3.85902977, 0.0, -1.79380851], [-0.83382314, 3.76787144, -1.79380852], [-0.0290471, -0.0361783, 4.98539074]], "pbc": [true, true, true], "volume": 71.98834034581864}, "properties": {}, "sites": [{"abc": [0.36196524, 0.11196524, 0.72392848], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.2824474059261333, 0.3956801283407616, 2.7589258113222375]}, {"abc": [0.11196524, 0.36196524, 0.22392848], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.12375772842613313, 1.3557371383407617, 0.26623043882223796]}, {"abc": [0.88803476, 0.63803476, 0.77607152], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [2.872401801573867, 2.3759560016592385, 1.1315432711777618]}, {"abc": [0.63803476, 0.88803476, 0.27607152], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.7137121240738669, 3.336013011659239, -1.3611521013222383]}, {"abc": [0.625, 0.375, 0.25], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.09194815375, 1.4039072149999998, -0.5474608287500002]}, {"abc": [0.375, 0.625, 0.75], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.90421137625, 2.3277859249999997, 1.9452345387499999]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "I 4bw 2bw -1bw", "number": 141, "point_group": "4/mmm", "symbol": "I4_1/amd", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mo2N\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.27150509\n_cell_length_b   5.27150509\n_cell_length_c   5.27150506\n_cell_angle_alpha   31.72324603\n_cell_angle_beta   31.72324603\n_cell_angle_gamma   31.72324081\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mo2N\n_chemical_formula_sum   'Mo2 N1'\n_cell_volume   35.96985856\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  Mo  Mo0  1  0.75710852  0.75710852  0.75710852  1.0\n  Mo  Mo1  1  0.24289148  0.24289148  0.24289148  1.0\n  N  N2  1  -0.00000000  -0.00000000  -0.00000000  1.0\n", "composition": {"Mo": 2.0, "N": 1.0}, "description": "", "elements": ["Mo", "N"], "formula": "Mo2N", "identifiers": {"materials_project_id": "mp-1221525"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 9.504705407123764, "energy_above_hull": 0.02555961749999902, "formation_energy_per_atom": -0.3385873283333349, "is_stable": false, "ordering": "Unknown", "theoretical": true, "total_magnetization": 0.0, "volume": 35.96985855708589}, "record_id": "mp-1221525", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.271505093862201, "alpha": 31.723246027455268, "b": 5.271505093862201, "beta": 31.723246027455268, "c": 5.271505056882733, "gamma": 31.7232408136207, "matrix": [[5.07078511, -1.44078107, 0.00736418], [5.07078511, 1.44078107, 0.00736418], [4.65783612, 0.0, 2.46846678]], "pbc": [true, true, true], "volume": 35.96985855708589}, "properties": {}, "sites": [{"abc": [0.75710852, 0.75710852, 0.75710852], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [11.204756630956016, 0.0, 1.8800481973165926]}, {"abc": [0.24289148, 0.24289148, 0.24289148], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [3.594649709043983, 0.0, 0.6031469426834072]}, {"abc": [-0.0, -0.0, -0.0], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "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_Mo2N3\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.81642300\n_cell_length_b   6.12527853\n_cell_length_c   10.35442759\n_cell_angle_alpha   77.25478637\n_cell_angle_beta   76.11034523\n_cell_angle_gamma   86.12468210\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   Mo2N3\n_chemical_formula_sum   'Mo8 N12'\n_cell_volume   349.24739722\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  Mo  Mo0  1  0.08847600  0.21512900  0.17470300  1.0\n  Mo  Mo1  1  0.91152400  0.78487100  0.82529700  1.0\n  Mo  Mo2  1  0.61854800  0.59892500  0.69365200  1.0\n  Mo  Mo3  1  0.38145200  0.40107500  0.30634800  1.0\n  Mo  Mo4  1  0.56862600  0.96601500  0.34813400  1.0\n  Mo  Mo5  1  0.43137400  0.03398500  0.65186600  1.0\n  Mo  Mo6  1  0.17085700  0.34527900  0.80191200  1.0\n  Mo  Mo7  1  0.82914300  0.65472100  0.19808800  1.0\n  N  N8  1  0.93607300  0.52699800  0.72390100  1.0\n  N  N9  1  0.06392700  0.47300200  0.27609900  1.0\n  N  N10  1  0.87333500  0.72009300  0.01155700  1.0\n  N  N11  1  0.12666500  0.27990700  0.98844300  1.0\n  N  N12  1  0.50655000  0.31065500  0.69676400  1.0\n  N  N13  1  0.49345000  0.68934500  0.30323600  1.0\n  N  N14  1  0.11263900  0.04379400  0.75481800  1.0\n  N  N15  1  0.88736100  0.95620600  0.24518200  1.0\n  N  N16  1  0.59940500  0.84845700  0.79792500  1.0\n  N  N17  1  0.40059500  0.15154300  0.20207500  1.0\n  N  N18  1  0.40464400  0.20650500  0.46820200  1.0\n  N  N19  1  0.59535600  0.79349500  0.53179800  1.0\n", "composition": {"Mo": 8.0, "N": 12.0}, "description": "", "elements": ["Mo", "N"], "formula": "Mo2N3", "identifiers": {"materials_project_id": "mp-1080195"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.4484254698854695, "energy_above_hull": 0.15551657610000014, "formation_energy_per_atom": -0.2892157635000004, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0005079, "volume": 349.24739722281527}, "record_id": "mp-1080195", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.816423, "alpha": 77.25478637047082, "b": 6.1252785341508345, "beta": 76.11034523233704, "c": 10.354427591289197, "gamma": 86.12468210293854, "matrix": [[5.816423, 0.0, 0.0], [0.41398, 6.111273, 0.0], [2.485609, 2.121211, 9.825293]], "pbc": [true, true, true], "volume": 349.24739722281527}, "properties": {}, "sites": [{"abc": [0.088476, 0.215129, 0.174703], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.037916293895, 1.68529397455, 1.716508162979]}, {"abc": [0.911524, 0.784871, 0.825297], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [7.678095706105001, 6.54719002545, 8.108784837021]}, {"abc": [0.618548, 0.598925, 0.693652], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [5.569827439372, 5.131576434097, 6.815334140036001]}, {"abc": [0.381452, 0.401075, 0.306348], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [3.1461845606280003, 3.1009075659030003, 3.009958859964]}, {"abc": [0.568626, 0.966015, 0.348134], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [4.572605238104, 6.642047057369, 3.420518553262]}, {"abc": [0.431374, 0.033985, 0.651866], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [4.143406761895999, 1.5904369426309999, 6.404774446737999]}, {"abc": [0.170857, 0.345279, 0.801912], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [3.1299548693390005, 3.8111187855989996, 7.879020360216]}, {"abc": [0.829143, 0.654721, 0.198088], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [5.586057130661, 4.421365214401, 1.946272639784]}, {"abc": [0.936073, 0.526998, 0.723901], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [7.462097999628001, 4.756175412565, 7.112539427993]}, {"abc": [0.063927, 0.473002, 0.276099], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.253914000372, 3.4763085874349997, 2.7127535720069997]}, {"abc": [0.873335, 0.720093, 0.011557], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [5.406516064058, 4.425199743916, 0.113550911201]}, {"abc": [0.126665, 0.279907, 0.988443], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.309495935942, 3.8072842560840003, 9.711742088799]}, {"abc": [0.50655, 0.310655, 0.696764], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.806796896826, 3.376480975019, 6.845910451852001]}, {"abc": [0.49345, 0.689345, 0.303236], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.909215103174, 4.856003024981, 2.979382548148]}, {"abc": [0.112639, 0.043794, 0.754818], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.549468324579, 1.8687653343600001, 7.416308011674]}, {"abc": [0.887361, 0.956206, 0.245182], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [6.166543675421001, 6.3637186656399995, 2.4089849883260004]}, {"abc": [0.599405, 0.848457, 0.797925], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [5.8209668185000005, 6.877719642936, 7.8398469170250005]}, {"abc": [0.400595, 0.151543, 0.202075], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.8950451815, 1.354764357064, 1.985446082975]}, {"abc": [0.404644, 0.206505, 0.468202], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.60283671333, 2.255163663487, 4.6002218331860005]}, {"abc": [0.595356, 0.793495, 0.531798], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [5.113175286670001, 5.977320336512999, 5.225071166814]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Triclinic", "hall": "-P 1", "number": 2, "point_group": "-1", "symbol": "P-1", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_Mo3N2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.15976100\n_cell_length_b   4.15976100\n_cell_length_c   4.07875700\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   Mo3N2\n_chemical_formula_sum   'Mo3 N2'\n_cell_volume   70.57722685\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  Mo  Mo0  1  0.00000000  0.00000000  0.00000000  1.0\n  Mo  Mo1  1  0.50000000  0.00000000  0.50000000  1.0\n  Mo  Mo2  1  0.00000000  0.50000000  0.50000000  1.0\n  N  N3  1  0.50000000  0.50000000  0.50000000  1.0\n  N  N4  1  0.00000000  0.00000000  0.50000000  1.0\n", "composition": {"Mo": 3.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "Mo3N2", "identifiers": {"materials_project_id": "mp-32652"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.4309196239487765, "energy_above_hull": 0.5718018090000001, "formation_energy_per_atom": 0.13482547399999872, "is_stable": false, "ordering": "FiM", "theoretical": true, "total_magnetization": 0.0164813, "volume": 70.57722684546331}, "record_id": "mp-32652", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.159761, "alpha": 90.0, "b": 4.159761, "beta": 90.0, "c": 4.078757, "gamma": 90.0, "matrix": [[4.159761, 0.0, 0.0], [0.0, 4.159761, 0.0], [0.0, 0.0, 4.078757]], "pbc": [true, true, true], "volume": 70.57722684546331}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": 0.121}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.0, 0.5], "label": "Mo", "properties": {"magmom": -0.057}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [2.0798805, 0.0, 2.0393785]}, {"abc": [0.0, 0.5, 0.5], "label": "Mo", "properties": {"magmom": -0.057}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 2.0798805, 2.0393785]}, {"abc": [0.5, 0.5, 0.5], "label": "N", "properties": {"magmom": 0.008}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.0798805, 2.0798805, 2.0393785]}, {"abc": [0.0, 0.0, 0.5], "label": "N", "properties": {"magmom": -0.003}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 2.0393785]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.39928151\n_cell_length_b   3.39928151\n_cell_length_c   4.92927000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999045\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo2 N2'\n_cell_volume   49.32732273\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  Mo  Mo0  1  0.00000000  0.00000000  0.74800900  1.0\n  Mo  Mo1  1  0.00000000  0.00000000  0.25199100  1.0\n  N  N2  1  0.33333300  0.66666700  0.00000000  1.0\n  N  N3  1  0.66666700  0.33333300  0.00000000  1.0\n", "composition": {"Mo": 2.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-2355"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.402420433713803, "energy_above_hull": 1.8608440037499996, "formation_energy_per_atom": 1.3146235849999997, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0043227, "volume": 49.327322727393515}, "record_id": "mp-2355", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.3992815092864843, "alpha": 90.0, "b": 3.3992815092864843, "beta": 90.0, "c": 4.92927, "gamma": 119.9999904493507, "matrix": [[1.699641, -2.943864, 0.0], [1.699641, 2.943864, 0.0], [0.0, 0.0, 4.92927]], "pbc": [true, true, true], "volume": 49.327322727393515}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.748009], "label": "Mo", "properties": {"magmom": -0.002}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 3.68713832343]}, {"abc": [0.0, 0.0, 0.251991], "label": "Mo", "properties": {"magmom": -0.002}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 1.2421316765700001]}, {"abc": [0.333333, 0.666667, 0.0], "label": "N", "properties": {"magmom": 0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.699641, 0.9812899625760001, 0.0]}, {"abc": [0.666667, 0.333333, 0.0], "label": "N", "properties": {"magmom": 0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.699641, -0.9812899625760001, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6 2", "number": 191, "point_group": "6/mmm", "symbol": "P6/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.74303458\n_cell_length_b   5.74303557\n_cell_length_c   5.64355837\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000027\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo8 N8'\n_cell_volume   161.20057594\n_cell_formula_units_Z   8\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  Mo  Mo0  1  0.51426464  0.48573536  0.49263880  1.0\n  Mo  Mo1  1  0.02853028  0.51426464  0.99263880  1.0\n  Mo  Mo2  1  0.48573536  0.97146972  0.99263880  1.0\n  Mo  Mo3  1  0.51426464  0.02853028  0.49263880  1.0\n  Mo  Mo4  1  0.97146972  0.48573536  0.49263880  1.0\n  Mo  Mo5  1  0.48573536  0.51426464  0.99263880  1.0\n  Mo  Mo6  1  0.00000000  -0.00000000  0.48565562  1.0\n  Mo  Mo7  1  0.00000000  -0.00000000  0.98565562  1.0\n  N  N8  1  0.83350938  0.16649062  0.74876490  1.0\n  N  N9  1  0.66701777  0.83350938  0.24876490  1.0\n  N  N10  1  0.16649062  0.33298223  0.24876490  1.0\n  N  N11  1  0.83350938  0.66701777  0.74876490  1.0\n  N  N12  1  0.33298223  0.16649062  0.74876490  1.0\n  N  N13  1  0.16649062  0.83350938  0.24876490  1.0\n  N  N14  1  0.66666700  0.33333300  0.21713928  1.0\n  N  N15  1  0.33333300  0.66666700  0.71713928  1.0\n", "composition": {"Mo": 8.0, "N": 8.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-2811"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 9.06055278195652, "energy_above_hull": 0.0, "formation_energy_per_atom": -0.5462204187499999, "is_stable": true, "ordering": "Unknown", "theoretical": false, "total_magnetization": 8e-07, "volume": 161.20057594049132}, "record_id": "mp-2811", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.74303458, "alpha": 90.0, "b": 5.743035570175465, "beta": 90.0, "c": 5.64355837, "gamma": 120.00000027155424, "matrix": [[5.74303458, -1e-08, -0.0], [-2.8715178, 4.97361469, -0.0], [-0.0, -0.0, 5.64355837]], "pbc": [true, true, true], "volume": 161.20057594049132}, "properties": {}, "sites": [{"abc": [0.51426464, 0.48573536, 0.4926388], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.5586418784618432, 2.415860516805792, 2.780235823126756]}, {"abc": [0.02853028, 0.51426464, 0.9926388], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [-1.3128696830535096, 2.5577541677662587, 5.602015008126756]}, {"abc": [0.48573536, 0.97146972, 0.9926388], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [2.376067732789977e-06, 4.831716065424833, 5.602015008126756]}, {"abc": [0.51426464, 0.02853028, 0.4926388], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [2.871514403932267, 0.1418986145751668, 2.780235823126756]}, {"abc": [0.97146972, 0.48573536, 0.4926388], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [4.184386463053509, 2.415860512233741, 2.780235823126756]}, {"abc": [0.48573536, 0.51426464, 0.9926388], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.3128749015381564, 2.557754163194208, 5.602015008126756]}, {"abc": [0.0, -0.0, 0.48565562], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 2.7408258391885396]}, {"abc": [0.0, -0.0, 0.98565562], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 5.562605024188539]}, {"abc": [0.83350938, 0.16649062, 0.7487649], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [4.308792413231324, 0.8280601850441139, 4.225698418557212]}, {"abc": [0.66701777, 0.83350938, 0.2487649], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.4372690974475226, 4.145554489950615, 1.403919233557213]}, {"abc": [0.16649062, 0.33298223, 0.2487649], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-3.012623054243768e-06, 1.6561253089720525, 1.403919233557213]}, {"abc": [0.83350938, 0.66701777, 0.7487649], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.871519792623054, 3.317489371027947, 4.225698418557212]}, {"abc": [0.33298223, 0.16649062, 0.7487649], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.4342476825524773, 0.8280601900493855, 4.225698418557212]}, {"abc": [0.16649062, 0.83350938, 0.2487649], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4372756332313241, 4.145554494955886, 1.403919233557213]}, {"abc": [0.666667, 0.333333, 0.21713928], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.87151999151746, 1.6578698987950997, 1.2254382010997735]}, {"abc": [0.333333, 0.666667, 0.71713928], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-3.2115174599667284e-06, 3.3157447812049, 4.047217386099774]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.30401725\n_cell_length_b   3.30401725\n_cell_length_c   3.30401725\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   MoN\n_chemical_formula_sum   'Mo1 N1'\n_cell_volume   25.50421254\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  Mo  Mo0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.75000000  0.75000000  0.75000000  1.0\n", "composition": {"Mo": 1.0, "N": 1.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-13034"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.158456297107163, "energy_above_hull": 0.32469296124999936, "formation_energy_per_atom": -0.22152745750000058, "is_stable": false, "ordering": "FM", "theoretical": true, "total_magnetization": 0.7642384, "volume": 25.50421253847789}, "record_id": "mp-13034", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.304017246277325, "alpha": 59.99999999999999, "b": 3.304017246277325, "beta": 59.99999999999999, "c": 3.304017246277325, "gamma": 59.99999999999999, "matrix": [[0.0, 2.336293, 2.336293], [2.336293, 0.0, 2.336293], [2.336293, 2.336293, 0.0]], "pbc": [true, true, true], "volume": 25.50421253847789}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": 0.74}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.75, 0.75, 0.75], "label": "N", "properties": {"magmom": -0.023}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.5044395, 3.5044395, 3.5044395]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Cubic", "hall": "F -4 2 3", "number": 216, "point_group": "-43m", "symbol": "F-43m", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.70454600\n_cell_length_b   2.70454600\n_cell_length_c   2.70454600\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   MoN\n_chemical_formula_sum   'Mo1 N1'\n_cell_volume   19.78258851\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  Mo  Mo0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Mo": 1.0, "N": 1.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-13035"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 9.228862580913777, "energy_above_hull": 0.7386676412500002, "formation_energy_per_atom": 0.19244722250000024, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0127938, "volume": 19.782588509487766}, "record_id": "mp-13035", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.704546, "alpha": 90.0, "b": 2.704546, "beta": 90.0, "c": 2.704546, "gamma": 90.0, "matrix": [[2.704546, 0.0, 0.0], [0.0, 2.704546, 0.0], [0.0, 0.0, 2.704546]], "pbc": [true, true, true], "volume": 19.782588509487766}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": 0.011}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "N", "properties": {"magmom": -0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.352273, 1.352273, 1.352273]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.88584381\n_cell_length_b   2.88584381\n_cell_length_c   2.85608000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99999572\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo1 N1'\n_cell_volume   20.59902496\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  Mo  Mo0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.66666700  0.33333300  0.50000000  1.0\n", "composition": {"Mo": 1.0, "N": 1.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-13036"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.863079258177063, "energy_above_hull": 0.08943476624999924, "formation_energy_per_atom": -0.4567856525000007, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0004514, "volume": 20.599024958553425}, "record_id": "mp-13036", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.885843813493724, "alpha": 90.0, "b": 2.885843813493724, "beta": 90.0, "c": 2.85608, "gamma": 119.99999572424677, "matrix": [[1.442922, -2.499214, 0.0], [1.442922, 2.499214, 0.0], [0.0, 0.0, 2.85608]], "pbc": [true, true, true], "volume": 20.599024958553425}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.666667, 0.333333, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.442922, -0.8330729994759999, 1.42804]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   3.08081333\n_cell_length_b   3.08081333\n_cell_length_c   3.08081333\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   MoN\n_chemical_formula_sum   'Mo1 N1'\n_cell_volume   20.67669673\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  Mo  Mo0  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N1  1  0.50000000  0.50000000  0.50000000  1.0\n", "composition": {"Mo": 1.0, "N": 1.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-16730"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.829785202058362, "energy_above_hull": 0.4005607162500002, "formation_energy_per_atom": -0.1456597024999997, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0010428, "volume": 20.67669673394392}, "record_id": "mp-16730", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 3.080813333941542, "alpha": 59.99999999999999, "b": 3.080813333941542, "beta": 59.99999999999999, "c": 3.080813333941542, "gamma": 59.99999999999999, "matrix": [[0.0, 2.178464, 2.178464], [2.178464, 0.0, 2.178464], [2.178464, 2.178464, 0.0]], "pbc": [true, true, true], "volume": 20.67669673394392}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": -0.001}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.5, 0.5, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.178464, 2.178464, 2.178464]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.97506263\n_cell_length_b   2.97506263\n_cell_length_c   6.25553000\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00001406\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo2 N2'\n_cell_volume   47.94981187\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  Mo  Mo0  1  0.33333300  0.66666700  0.47220600  1.0\n  Mo  Mo1  1  0.66666700  0.33333300  0.97220600  1.0\n  N  N2  1  0.33333300  0.66666700  0.15299400  1.0\n  N  N3  1  0.66666700  0.33333300  0.65299400  1.0\n", "composition": {"Mo": 2.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-999503"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.61507850449005, "energy_above_hull": 0.24764224375000055, "formation_energy_per_atom": -0.2985781749999994, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0004117, "volume": 47.94981187421193}, "record_id": "mp-999503", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.975062632342553, "alpha": 90.0, "b": 2.975062632342553, "beta": 90.0, "c": 6.25553, "gamma": 120.00001406203845, "matrix": [[1.487531, -2.57648, 0.0], [1.487531, 2.57648, 0.0], [0.0, 0.0, 6.25553]], "pbc": [true, true, true], "volume": 47.94981187421193}, "properties": {}, "sites": [{"abc": [0.333333, 0.666667, 0.472206], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.487531, 0.8588283843200002, 2.95389879918]}, {"abc": [0.666667, 0.333333, 0.972206], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.487531, -0.8588283843200002, 6.08166379918]}, {"abc": [0.333333, 0.666667, 0.152994], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.487531, 0.8588283843200002, 0.95705855682]}, {"abc": [0.666667, 0.333333, 0.652994], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.487531, -0.8588283843200002, 4.08482355682]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "P 6c -2c", "number": 186, "point_group": "6mm", "symbol": "P6_3mc", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.90502709\n_cell_length_b   2.90502709\n_cell_length_c   3.82515800\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   119.99997936\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo1 N1'\n_cell_volume   27.95635038\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  Mo  Mo0  1  0.00000000  0.00000000  0.50000000  1.0\n  N  N1  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Mo": 1.0, "N": 1.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-1059462"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 6.530565983676308, "energy_above_hull": 1.257004896249999, "formation_energy_per_atom": 0.710784477499999, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.021823, "volume": 27.95635038451145}, "record_id": "mp-1059462", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.90502709352684, "alpha": 90.0, "b": 2.90502709352684, "beta": 90.0, "c": 3.825158, "gamma": 119.99997935586046, "matrix": [[1.452514, -2.515827, 0.0], [1.452514, 2.515827, 0.0], [0.0, 0.0, 3.825158]], "pbc": [true, true, true], "volume": 27.95635038451145}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "Mo", "properties": {"magmom": 0.014}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 1.912579]}, {"abc": [0.0, 0.0, 0.0], "label": "N", "properties": {"magmom": -0.026}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Hexagonal", "hall": "-P 6 2", "number": 191, "point_group": "6/mmm", "symbol": "P6/mmm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.35869233\n_cell_length_b   5.35869233\n_cell_length_c   5.35869233\n_cell_angle_alpha   146.01784414\n_cell_angle_beta   107.41142174\n_cell_angle_gamma   82.62038894\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo2 N2'\n_cell_volume   79.97379996\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  Mo  Mo0  1  0.63315600  0.88315600  0.75000000  1.0\n  Mo  Mo1  1  0.36684400  0.11684400  0.25000000  1.0\n  N  N2  1  0.50000000  0.00000000  0.50000000  1.0\n  N  N3  1  0.00000000  0.00000000  0.00000000  1.0\n", "composition": {"Mo": 2.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-1064706"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 4.56576506154059, "energy_above_hull": 0.7584151612499994, "formation_energy_per_atom": 0.21219474249999948, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 0.0006322, "volume": 79.97379996036112}, "record_id": "mp-1064706", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.358692325532042, "alpha": 146.01784414119837, "b": 5.358692325532042, "beta": 107.41142174122214, "c": 5.358692325532042, "gamma": 82.62038894362217, "matrix": [[-1.565932, 3.171986, 4.025164], [1.565932, -3.171986, 4.025164], [1.565932, 3.171986, -4.025164]], "pbc": [true, true, true], "volume": 79.97379996036112}, "properties": {}, "sites": [{"abc": [0.633156, 0.883156, 0.75], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.565932, 1.5859929999999998, 3.084531475168]}, {"abc": [0.366844, 0.116844, 0.25], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 1.5859929999999998, 0.940632524832]}, {"abc": [0.5, 0.0, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 3.171986, 0.0]}, {"abc": [0.0, 0.0, 0.0], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Orthorhombic", "hall": "-I 2b 2", "number": 74, "point_group": "mmm", "symbol": "Imma", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.87050813\n_cell_length_b   2.87050813\n_cell_length_c   5.70667400\n_cell_angle_alpha   90.00000000\n_cell_angle_beta   90.00000000\n_cell_angle_gamma   120.00000300\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo2 N2'\n_cell_volume   40.72220115\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  Mo  Mo0  1  0.00000000  0.00000000  0.50000000  1.0\n  Mo  Mo1  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N2  1  0.33333300  0.66666700  0.75000000  1.0\n  N  N3  1  0.66666700  0.33333300  0.25000000  1.0\n", "composition": {"Mo": 2.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-1065394"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.966646482802549, "energy_above_hull": 0.013843436249999286, "formation_energy_per_atom": -0.5323769825000007, "is_stable": false, "ordering": "NM", "theoretical": false, "total_magnetization": 2.16e-05, "volume": 40.722201148218694}, "record_id": "mp-1065394", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.870508130106062, "alpha": 90.0, "b": 2.870508130106062, "beta": 90.0, "c": 5.706674, "gamma": 120.00000299868432, "matrix": [[1.435254, -2.485933, 0.0], [1.435254, 2.485933, 0.0], [0.0, 0.0, 5.706674]], "pbc": [true, true, true], "volume": 40.722201148218694}, "properties": {}, "sites": [{"abc": [0.0, 0.0, 0.5], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 2.853337]}, {"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.333333, 0.666667, 0.75], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.435254, 0.8286459906220002, 4.2800055]}, {"abc": [0.666667, 0.333333, 0.25], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.435254, -0.8286459906220002, 1.4266685]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.84946477\n_cell_length_b   2.84946477\n_cell_length_c   11.39820007\n_cell_angle_alpha   90.00000038\n_cell_angle_beta   89.99999962\n_cell_angle_gamma   120.00008761\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo4 N4'\n_cell_volume   80.14807737\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  Mo  Mo0  1  0.00000381  0.99999619  0.74999480  1.0\n  Mo  Mo1  1  0.99999619  0.00000381  0.25000595  1.0\n  Mo  Mo2  1  -0.00000000  0.00000000  0.49999541  1.0\n  Mo  Mo3  1  0.00000000  -0.00000000  0.00000451  1.0\n  N  N4  1  0.66666933  0.33333067  0.63014694  1.0\n  N  N5  1  0.33333067  0.66666933  0.36984280  1.0\n  N  N6  1  0.33333049  0.66666951  0.13018512  1.0\n  N  N7  1  0.66666951  0.33333049  0.86982548  1.0\n", "composition": {"Mo": 4.0, "N": 4.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-1078389"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 9.11167413329678, "energy_above_hull": 0.010758138749999091, "formation_energy_per_atom": -0.5354622800000008, "is_stable": false, "ordering": "Unknown", "theoretical": false, "total_magnetization": 2e-07, "volume": 80.14807736885948}, "record_id": "mp-1078389", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.8494647731929676, "alpha": 90.00000037520701, "b": 2.8494647731929676, "beta": 89.99999962479299, "c": 11.39820007, "gamma": 120.00008760676202, "matrix": [[-1.4247305, -2.46770997, -1e-08], [-1.4247305, 2.46770997, 1e-08], [0.0, -4e-08, -11.39820007]], "pbc": [true, true, true], "volume": 80.14807736885948}, "properties": {}, "sites": [{"abc": [3.81e-06, 0.99999619, 0.7499948], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [-1.4247304999999997, 2.4676911360502367, -8.548590771859711]}, {"abc": [0.99999619, 3.81e-06, 0.25000595], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [-1.4247304999999997, -2.4676911760502667, -2.8496178467903404]}, {"abc": [-0.0, 0.0, 0.49999541], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, -1.9999816399999998e-08, -5.699047717261678]}, {"abc": [0.0, -0.0, 4.51e-06], "label": "Mo", "properties": {}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, -1.804e-13, -5.14058823157e-05]}, {"abc": [0.66666933, 0.33333067, 0.63014694], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4247305, -0.8225831598743176, -7.182540898951673]}, {"abc": [0.33333067, 0.66666933, 0.3698428], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4247305, 0.822583119874728, -4.215542225515609]}, {"abc": [0.33333049, 0.66666951, 0.13018512], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4247305, 0.8225840178366246, -1.483876040563568]}, {"abc": [0.66666951, 0.33333049, 0.86982548], "label": "N", "properties": {}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.4247305, -0.8225840578370487, -9.914444850357174]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   6.06801132\n_cell_length_b   6.06801132\n_cell_length_c   5.10971034\n_cell_angle_alpha   82.97206828\n_cell_angle_beta   82.97206828\n_cell_angle_gamma   100.37359593\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo8 N8'\n_cell_volume   181.65775237\n_cell_formula_units_Z   8\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  Mo  Mo0  1  0.87505200  0.87505200  0.76790000  1.0\n  Mo  Mo1  1  0.12494800  0.12494800  0.23210000  1.0\n  Mo  Mo2  1  0.39850400  0.02530100  0.72732600  1.0\n  Mo  Mo3  1  0.02530100  0.39850400  0.72732600  1.0\n  Mo  Mo4  1  0.51650000  0.51650000  0.74029100  1.0\n  Mo  Mo5  1  0.60149600  0.97469900  0.27267400  1.0\n  Mo  Mo6  1  0.97469900  0.60149600  0.27267400  1.0\n  Mo  Mo7  1  0.48350000  0.48350000  0.25970900  1.0\n  N  N8  1  0.31440000  0.68560000  0.50000000  1.0\n  N  N9  1  0.68560000  0.31440000  0.50000000  1.0\n  N  N10  1  0.20015000  0.45779500  0.04998900  1.0\n  N  N11  1  0.54220500  0.79985000  0.95001100  1.0\n  N  N12  1  0.13114000  0.86886000  0.00000000  1.0\n  N  N13  1  0.45779500  0.20015000  0.04998900  1.0\n  N  N14  1  0.86886000  0.13114000  0.00000000  1.0\n  N  N15  1  0.79985000  0.54220500  0.95001100  1.0\n", "composition": {"Mo": 8.0, "N": 8.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-1205447"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 8.04020917210583, "energy_above_hull": 0.4163008700000006, "formation_energy_per_atom": -0.12991954874999934, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 5.4e-06, "volume": 181.6577523701503}, "record_id": "mp-1205447", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 6.068011316786827, "alpha": 82.97206827657092, "b": 6.068011316786827, "beta": 82.97206827657092, "c": 5.1097103412758145, "gamma": 100.37359592543699, "matrix": [[4.661058, 3.885267, 0.0], [-4.661058, 3.885267, 0.0], [0.0, 0.976421, 5.01555]], "pbc": [true, true, true], "volume": 181.6577523701503}, "properties": {}, "sites": [{"abc": [0.875052, 0.875052, 0.7679], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 7.549415003668001, 3.8514408450000004]}, {"abc": [0.124948, 0.124948, 0.2321], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 1.197539996332, 1.164109155]}, {"abc": [0.398504, 0.025301, 0.727326], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.739520828774, 2.356771961181, 3.6479399193]}, {"abc": [0.025301, 0.398504, 0.727326], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [-1.739520828774, 2.356771961181, 3.6479399193]}, {"abc": [0.5165, 0.5165, 0.740291], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 4.736316489510999, 3.71296652505]}, {"abc": [0.601496, 0.974699, 0.272674], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [-1.7395208287739998, 6.390183038819, 1.3676100807000002]}, {"abc": [0.974699, 0.601496, 0.272674], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [1.7395208287739998, 6.390183038819, 1.3676100807000002]}, {"abc": [0.4835, 0.4835, 0.259709], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 4.010638510489, 1.3025834749500003]}, {"abc": [0.3144, 0.6856, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.7301847295999997, 4.3734775, 2.507775]}, {"abc": [0.6856, 0.3144, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.7301847295999997, 4.3734775, 2.507775]}, {"abc": [0.20015, 0.457795, 0.049989], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.20089828841, 2.6051023056840004, 0.25072232895]}, {"abc": [0.542205, 0.79985, 0.950011], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-1.2008982884099995, 6.1418526943159995, 4.764827671050001]}, {"abc": [0.13114, 0.86886, 0.0], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [-3.43855570776, 3.885267, 0.0]}, {"abc": [0.457795, 0.20015, 0.049989], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.20089828841, 2.6051023056840004, 0.25072232895]}, {"abc": [0.86886, 0.13114, 0.0], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.43855570776, 3.885267, 0.0]}, {"abc": [0.79985, 0.542205, 0.950011], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.2008982884099995, 6.1418526943159995, 4.764827671050001]}], "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_MoN\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   2.82976606\n_cell_length_b   2.82976606\n_cell_length_c   6.13615166\n_cell_angle_alpha   80.35142653\n_cell_angle_beta   80.35142653\n_cell_angle_gamma   89.11427394\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN\n_chemical_formula_sum   'Mo2 N2'\n_cell_volume   47.75138071\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  Mo  Mo0  1  0.85294400  0.85294400  0.70291600  1.0\n  Mo  Mo1  1  0.14705600  0.14705600  0.29708400  1.0\n  N  N2  1  0.68686000  0.68686000  0.19666200  1.0\n  N  N3  1  0.31314000  0.31314000  0.80333800  1.0\n", "composition": {"Mo": 2.0, "N": 2.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN", "identifiers": {"materials_project_id": "mp-1419585"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.646723012048887, "energy_above_hull": 0.2552408162499997, "formation_energy_per_atom": -0.2909796025000002, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0012483, "volume": 47.75138070547371}, "record_id": "mp-1419585", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 2.829766062389257, "alpha": 80.35142652789769, "b": 2.829766062389257, "beta": 80.35142652789769, "c": 6.136151663681806, "gamma": 89.11427394071302, "matrix": [[1.985421, 2.016353, 0.0], [-1.985421, 2.016353, 0.0], [0.0, 1.443331, 5.963988]], "pbc": [true, true, true], "volume": 47.75138070547371}, "properties": {}, "sites": [{"abc": [0.852944, 0.852944, 0.702916], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 4.45421283966, 4.192182589008]}, {"abc": [0.147056, 0.147056, 0.297084], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 1.02182416034, 1.771805410992]}, {"abc": [0.68686, 0.68686, 0.196662], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 3.0537528042820004, 1.172889808056]}, {"abc": [0.31314, 0.31314, 0.803338], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 2.422284195718, 4.791098191944]}], "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_MoN2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   4.34805300\n_cell_length_b   4.34805300\n_cell_length_c   2.76746000\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   MoN2\n_chemical_formula_sum   'Mo2 N4'\n_cell_volume   52.32039461\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  Mo  Mo0  1  0.50000000  0.50000000  0.00000000  1.0\n  Mo  Mo1  1  0.00000000  0.00000000  0.00000000  1.0\n  N  N2  1  0.88835300  0.38835300  0.50000000  1.0\n  N  N3  1  0.11164700  0.61164700  0.50000000  1.0\n  N  N4  1  0.38835300  0.11164700  0.50000000  1.0\n  N  N5  1  0.61164700  0.88835300  0.50000000  1.0\n", "composition": {"Mo": 2.0, "N": 4.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN2", "identifiers": {"materials_project_id": "mp-1080193"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 7.868039411745352, "energy_above_hull": 0.2594106546666666, "formation_energy_per_atom": -0.11119962833333356, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 9.52e-05, "volume": 52.320394612718275}, "record_id": "mp-1080193", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 4.348053, "alpha": 90.0, "b": 4.348053, "beta": 90.0, "c": 2.76746, "gamma": 90.0, "matrix": [[4.348053, 0.0, 0.0], [0.0, 4.348053, 0.0], [0.0, 0.0, 2.76746]], "pbc": [true, true, true], "volume": 52.320394612718275}, "properties": {}, "sites": [{"abc": [0.5, 0.5, 0.0], "label": "Mo", "properties": {"magmom": -0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [2.1740265, 2.1740265, 0.0]}, {"abc": [0.0, 0.0, 0.0], "label": "Mo", "properties": {"magmom": 0.0}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 0.0, 0.0]}, {"abc": [0.888353, 0.388353, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [3.862605926709, 1.6885794267090002, 1.38373]}, {"abc": [0.111647, 0.611647, 0.5], "label": "N", "properties": {"magmom": 0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.485447073291, 2.659473573291, 1.38373]}, {"abc": [0.388353, 0.111647, 0.5], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [1.6885794267090002, 0.485447073291, 1.38373]}, {"abc": [0.611647, 0.888353, 0.5], "label": "N", "properties": {"magmom": -0.0}, "species": [{"element": "N", "occu": 1.0}], "xyz": [2.659473573291, 3.862605926709, 1.38373]}], "symmetry": {"angle_tolerance": 5.0, "crystal_system": "Tetragonal", "hall": "-P 4 2ab", "number": 127, "point_group": "4/mmm", "symbol": "P4/mbm", "symprec": 0.1, "version": "2.7.0"}}}
{"cif": "# generated using pymatgen\ndata_MoN2\n_symmetry_space_group_name_H-M   'P 1'\n_cell_length_a   5.68095565\n_cell_length_b   5.68095565\n_cell_length_c   4.18525484\n_cell_angle_alpha   69.03483343\n_cell_angle_beta   69.03483343\n_cell_angle_gamma   38.41553204\n_symmetry_Int_Tables_number   1\n_chemical_formula_structural   MoN2\n_chemical_formula_sum   'Mo2 N4'\n_cell_volume   77.67061032\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  Mo  Mo0  1  0.61684600  0.61684600  0.69215700  1.0\n  Mo  Mo1  1  0.38315400  0.38315400  0.30784300  1.0\n  N  N2  1  0.83340500  0.83340500  0.44347000  1.0\n  N  N3  1  0.16659500  0.16659500  0.55653000  1.0\n  N  N4  1  0.58499500  0.58499500  0.15508800  1.0\n  N  N5  1  0.41500500  0.41500500  0.84491200  1.0\n", "composition": {"Mo": 2.0, "N": 4.0}, "description": "", "elements": ["Mo", "N"], "formula": "MoN2", "identifiers": {"materials_project_id": "mp-1402363"}, "inchi": null, "material_class": "crystal", "metadata": {"source_endpoint": "/materials/summary"}, "names": [], "properties": {"band_gap": 0.0, "density": 5.300060411017959, "energy_above_hull": 0.2747271696666651, "formation_energy_per_atom": -0.09588311333333384, "is_stable": false, "ordering": "NM", "theoretical": true, "total_magnetization": 0.0003437, "volume": 77.67061031892484}, "record_id": "mp-1402363", "smiles": null, "source_name": "materials-project", "structure": {"@class": "Structure", "@module": "pymatgen.core.structure", "charge": 0.0, "lattice": {"a": 5.6809556544533075, "alpha": 69.03483342665547, "b": 5.6809556544533075, "beta": 69.03483342665547, "c": 4.185254842022048, "gamma": 38.41553204101125, "matrix": [[1.869004, 5.364707, 0.0], [-1.869004, 5.364707, 0.0], [0.0, 1.585762, 3.873205]], "pbc": [true, true, true], "volume": 77.67061031892484}, "properties": {}, "sites": [{"abc": [0.616846, 0.616846, 0.692157], "label": "Mo", "properties": {"magmom": 0.001}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 7.715992376878, 2.680865953185]}, {"abc": [0.383154, 0.383154, 0.307843], "label": "Mo", "properties": {"magmom": 0.001}, "species": [{"element": "Mo", "occu": 1.0}], "xyz": [0.0, 4.599183623122, 1.192339046815]}, {"abc": [0.833405, 0.833405, 0.44347], "label": "N", "properties": {"magmom": -0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 9.645185148809999, 1.71765022135]}, {"abc": [0.166595, 0.166595, 0.55653], "label": "N", "properties": {"magmom": -0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 2.6699908511899997, 2.15555477865]}, {"abc": [0.584995, 0.584995, 0.155088], "label": "N", "properties": {"magmom": -0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 6.522586199986001, 0.6006876170400001]}, {"abc": [0.415005, 0.415005, 0.844912], "label": "N", "properties": {"magmom": -0.001}, "species": [{"element": "N", "occu": 1.0}], "xyz": [0.0, 5.7925898000139995, 3.27251738296]}], "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"}}}