Commit b6f64de2 authored by Daria M. Tomecka's avatar Daria M. Tomecka

update: aflow url's updated (8 new cases)

parent e26cca95
...@@ -3986,7 +3986,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -3986,7 +3986,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': 'A11', 'Strukturbericht Designation': 'A11',
'Wyckoff Positions': 'f', 'Wyckoff Positions': 'f',
'aflow_prototype_id': 'A_oC8_64_f', 'aflow_prototype_id': 'A_oC8_64_f',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_oC8_64_f.alpha-Ga.html',
'atom_labels': ['Ga', 'Ga', 'Ga', 'Ga'], 'atom_labels': ['Ga', 'Ga', 'Ga', 'Ga'],
'atom_positions': [[0.0, 1.18658047e-10, 3.665979e-11], 'atom_positions': [[0.0, 1.18658047e-10, 3.665979e-11],
[0.0, -1.18658047e-10, -3.665979e-11], [0.0, -1.18658047e-10, -3.665979e-11],
...@@ -5713,7 +5713,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -5713,7 +5713,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': 'A6', 'Strukturbericht Designation': 'A6',
'Wyckoff Positions': 'a', 'Wyckoff Positions': 'a',
'aflow_prototype_id': 'A_tI2_139_a', 'aflow_prototype_id': 'A_tI2_139_a',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.In.html',
'atom_labels': ['In'], 'atom_labels': ['In'],
'atom_positions': [[0.0, 0.0, 0.0]], 'atom_positions': [[0.0, 0.0, 0.0]],
'lattice_vectors': [[3.2512769800000005e-10, 0.0, 0.0], 'lattice_vectors': [[3.2512769800000005e-10, 0.0, 0.0],
...@@ -5839,7 +5839,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -5839,7 +5839,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': 'Aa', 'Strukturbericht Designation': 'Aa',
'Wyckoff Positions': 'a', 'Wyckoff Positions': 'a',
'aflow_prototype_id': 'A_tI2_139_a', 'aflow_prototype_id': 'A_tI2_139_a',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_tI2_139_a.alpha-Pa.html',
'atom_labels': ['Pa'], 'atom_labels': ['Pa'],
'atom_positions': [[0.0, 0.0, 0.0]], 'atom_positions': [[0.0, 0.0, 0.0]],
'lattice_vectors': [[3.925e-10, 0.0, 0.0], 'lattice_vectors': [[3.925e-10, 0.0, 0.0],
...@@ -7503,7 +7503,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -7503,7 +7503,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': 'A7', 'Strukturbericht Designation': 'A7',
'Wyckoff Positions': 'c', 'Wyckoff Positions': 'c',
'aflow_prototype_id': 'A_hR2_166_c', 'aflow_prototype_id': 'A_hR2_166_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.alpha-As.html',
'atom_labels': ['As', 'As'], 'atom_labels': ['As', 'As'],
'atom_positions': [[1.37328129e-10, 1.37328129e-10, 1.37328129e-10], 'atom_positions': [[1.37328129e-10, 1.37328129e-10, 1.37328129e-10],
[-1.37328129e-10, -1.37328129e-10, -1.37328129e-10]], [-1.37328129e-10, -1.37328129e-10, -1.37328129e-10]],
...@@ -7962,7 +7962,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -7962,7 +7962,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': '-', 'Strukturbericht Designation': '-',
'Wyckoff Positions': 'c', 'Wyckoff Positions': 'c',
'aflow_prototype_id': 'A_hR2_166_c', 'aflow_prototype_id': 'A_hR2_166_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.C.html',
'atom_labels': ['C', 'C'], 'atom_labels': ['C', 'C'],
'atom_positions': [[0.0, 0.0, 1.6740000000000337e-10], 'atom_positions': [[0.0, 0.0, 1.6740000000000337e-10],
[0.0, 0.0, 8.369999999999966e-10]], [0.0, 0.0, 8.369999999999966e-10]],
...@@ -8098,7 +8098,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -8098,7 +8098,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': 'A10', 'Strukturbericht Designation': 'A10',
'Wyckoff Positions': 'a', 'Wyckoff Positions': 'a',
'aflow_prototype_id': 'A_hR1_166_a', 'aflow_prototype_id': 'A_hR1_166_a',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.alpha-Hg.html',
'atom_labels': ['Hg'], 'atom_labels': ['Hg'],
'atom_positions': [[0.0, 0.0, 0.0]], 'atom_positions': [[0.0, 0.0, 0.0]],
'lattice_vectors': [[2.9288947099999997e-10, 'lattice_vectors': [[2.9288947099999997e-10,
...@@ -8120,7 +8120,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -8120,7 +8120,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': '-', 'Strukturbericht Designation': '-',
'Wyckoff Positions': 'c', 'Wyckoff Positions': 'c',
'aflow_prototype_id': 'A_hR2_166_c', 'aflow_prototype_id': 'A_hR2_166_c',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR2_166_c.beta-O.html',
'atom_labels': ['O', 'O'], 'atom_labels': ['O', 'O'],
'atom_positions': [[0.0, 0.0, 6.125583e-11], [0.0, 0.0, -6.125583e-11]], 'atom_positions': [[0.0, 0.0, 6.125583e-11], [0.0, 0.0, -6.125583e-11]],
'lattice_vectors': [[1.6445e-10, -9.4945252e-11, 3.76033333e-10], 'lattice_vectors': [[1.6445e-10, -9.4945252e-11, 3.76033333e-10],
...@@ -8136,7 +8136,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-', ...@@ -8136,7 +8136,7 @@ structure_types_by_spacegroup = {1: [{'Notes': '-',
'Strukturbericht Designation': 'Ai', 'Strukturbericht Designation': 'Ai',
'Wyckoff Positions': 'a', 'Wyckoff Positions': 'a',
'aflow_prototype_id': 'A_hR1_166_a', 'aflow_prototype_id': 'A_hR1_166_a',
'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.html', 'aflow_prototype_url': 'http://www.aflowlib.org/CrystalDatabase/A_hR1_166_a.beta-Po.html',
'atom_labels': ['Po'], 'atom_labels': ['Po'],
'atom_positions': [[0.0, 0.0, 0.0]], 'atom_positions': [[0.0, 0.0, 0.0]],
'lattice_vectors': [[2.98911671e-10, -2.1818147e-11, -2.1818147e-11], 'lattice_vectors': [[2.98911671e-10, -2.1818147e-11, -2.1818147e-11],
......
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