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Cr2WO6.json
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Cr2WO6.json
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{"@module": "pymatgen.core.structure", "@class": "Structure", "charge": null, "lattice": {"matrix": [[4.582, 0.0, 2.8056658168465863e-16], [-2.8056658168465863e-16, 4.582, 2.8056658168465863e-16], [0.0, 0.0, 8.87]], "a": 4.582, "b": 4.582, "c": 8.87, "alpha": 90.0, "beta": 90.0, "gamma": 90.0, "volume": 186.22320187999998}, "sites": [{"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.0, 0.0, 0.3345], "xyz": [0.0, 0.0, 2.967015], "label": "Cr", "properties": {"magmom": 2.14}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.5, 0.5, 0.16549999999999998], "xyz": [2.291, 2.291, 1.4679849999999999], "label": "Cr", "properties": {"magmom": 2.14}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.5, 0.5, 0.8345], "xyz": [2.291, 2.291, 7.402015], "label": "Cr", "properties": {"magmom": -2.14}}, {"species": [{"element": "Cr", "occu": 1.0}], "abc": [0.0, 0.0, 0.6655], "xyz": [0.0, 0.0, 5.902984999999999], "label": "Cr", "properties": {"magmom": -2.14}}, {"species": [{"element": "W", "occu": 1.0}], "abc": [0.0, 0.0, 0.0], "xyz": [0.0, 0.0, 0.0], "label": "W", "properties": {"magmom": 0.0}}, {"species": [{"element": "W", "occu": 1.0}], "abc": [0.5, 0.5, 0.5], "xyz": [2.291, 2.291, 4.435], "label": "W", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.303, 0.303, 0.0], "xyz": [1.3883459999999999, 1.3883459999999999, 1.7002334850090313e-16], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.197, 0.8029999999999999, 0.5], "xyz": [0.9026539999999997, 3.679346, 4.435], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.8029999999999999, 0.197, 0.5], "xyz": [3.679346, 0.902654, 4.435], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.6970000000000001, 0.6970000000000001, 0.0], "xyz": [3.193654, 3.193654, 3.9110981486841415e-16], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.306, 0.306, 0.34], "xyz": [1.402092, 1.402092, 3.0158], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.194, 0.806, 0.15999999999999998], "xyz": [0.8889079999999998, 3.693092, 1.4192], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.194, 0.806, 0.8400000000000001], "xyz": [0.8889079999999998, 3.693092, 7.4508], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.306, 0.306, 0.6599999999999999], "xyz": [1.402092, 1.402092, 5.854199999999999], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.806, 0.194, 0.15999999999999998], "xyz": [3.693092, 0.888908, 1.4192], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.694, 0.694, 0.34], "xyz": [3.1799079999999997, 3.1799079999999997, 3.0158000000000005], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.694, 0.694, 0.6599999999999999], "xyz": [3.1799079999999997, 3.1799079999999997, 5.854199999999999], "label": "O", "properties": {"magmom": 0.0}}, {"species": [{"element": "O", "occu": 1.0}], "abc": [0.806, 0.194, 0.8400000000000001], "xyz": [3.693092, 0.888908, 7.4508], "label": "O", "properties": {"magmom": 0.0}}]}