action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | f491c810-1823-4ac8-bcf8-105e71196079 | mp-1027965 | Insert a Lr atom in the line between atoms at indices 12 and 11, and the inserted atom must be 4.39 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaLr
_chemical_formula_sum "Y1 Mg14 Ga1 Lr1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H... |
InsertBetweenAtomsAction | 7c1dceb3-b5e8-408c-bc2b-0bfdd392ec59 | mp-698134 | Insert a Pu atom in the line between atoms at indices 20 and 45, and the inserted atom must be 3.96 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20Pu
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20 Pu1"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | 8e072a7e-a8bf-4a86-9d90-9e48fe75d189 | mp-1195032 | Insert a H atom in the line between atoms at indices 22 and 14, and the inserted atom must be 1.91 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Bi4Te4N4O24
_chemical_formula_sum "Bi4 Te4 N4 O24"
_cell_length_a 9.04492363
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4Te4N4O24H
_chemical_formula_sum "Bi4 Te4 N4 O24 H1"
_cell_length_a 9.04492363
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 37cdf713-42ea-42af-ac79-a2cfb5e2408f | mp-2196 | Insert a Es atom in the line between atoms at indices 0 and 2, and the inserted atom must be 7.11 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12Es
_chemical_formula_sum "Ba6 Sb12 Es1"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | e8cd217d-3f51-47b4-b491-5f9891cf314f | mp-1224477 | Insert a H atom in the line between atoms at indices 14 and 10, and the inserted atom must be 2.13 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6H
_chemical_formula_sum "H12 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H... |
InsertBetweenAtomsAction | 8531324c-fd5e-479c-a0b7-fbab895c0275 | mp-2230319 | Insert a No atom in the line between atoms at indices 11 and 0, and the inserted atom must be 8.15 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6No
_chemical_formula_sum "Mg1 Fe6 O6 F6 No1"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ea675567-3eaf-41ce-986c-530f39fec2ac | mp-1198979 | Insert a Gd atom in the line between atoms at indices 11 and 33, and the inserted atom must be 6.63 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18Gd
_chemical_formula_sum "K6 Na14 Mg1 Tl18 Gd1"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 040a5cf0-6f7b-45ed-948e-ff8a7d958851 | mp-557992 | Insert a W atom in the line between atoms at indices 0 and 21, and the inserted atom must be 1.14 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12W
_chemical_formula_sum "In4 Te4 Cl4 O12 W1"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 7ad1e449-e29f-429b-bcd5-8389e9c805a8 | mp-758446 | Insert a Lr atom in the line between atoms at indices 29 and 1, and the inserted atom must be 2.36 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li4V8C8O32
_chemical_formula_sum "Li4 V8 C8 O32"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4V8C8O32Lr
_chemical_formula_sum "Li4 V8 C8 O32 Lr1"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 643d698f-2856-44e1-9d63-2171c612bd40 | mp-1236280 | Insert a Nb atom in the line between atoms at indices 7 and 18, and the inserted atom must be 1.55 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural LiCd4Tc4O12
_chemical_formula_sum "Li1 Cd4 Tc4 O12"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784879199... | data_image0
_chemical_formula_structural LiCd4Tc4O12Nb
_chemical_formula_sum "Li1 Cd4 Tc4 O12 Nb1"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784... |
InsertBetweenAtomsAction | b9a6d60a-52cc-4f09-9ace-0deaac9cdafe | mp-1040917 | Insert a Ca atom in the line between atoms at indices 4 and 41, and the inserted atom must be 1.70 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ca4Fe8P8O32
_chemical_formula_sum "Ca4 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_space... | data_image0
_chemical_formula_structural Ca4Fe8P8O32Ca
_chemical_formula_sum "Ca5 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_spa... |
InsertBetweenAtomsAction | 7a9df4fd-b5d4-4643-8cef-0514d894c9c8 | mp-1180897 | Insert a U atom in the line between atoms at indices 6 and 1, and the inserted atom must be 1.21 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K2PdN2Cl2O4
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_space_... | data_image0
_chemical_formula_structural K2PdN2Cl2O4U
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4 U1"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_sp... |
InsertBetweenAtomsAction | d1fae8aa-9ada-408c-b830-5c117f6e60bc | mp-1290409 | Insert a Pr atom in the line between atoms at indices 1 and 2, and the inserted atom must be 1.74 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Pr
_chemical_formula_sum "Li8 Mn6 Sb2 O16 Pr1"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
... |
InsertBetweenAtomsAction | 2b70a481-45a7-4790-aa23-5c6b9d5ca233 | mp-1208402 | Insert a Tl atom in the line between atoms at indices 10 and 7, and the inserted atom must be 3.00 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12Tl
_chemical_formula_sum "U2 Pb2 I12 Tl1"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888... |
InsertBetweenAtomsAction | 3331f285-331d-48a8-bc4e-0050fb9f8189 | mp-636946 | Insert a Tc atom in the line between atoms at indices 1 and 12, and the inserted atom must be 2.19 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Fe12Ge10
_chemical_formula_sum "Fe12 Ge10"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_group_n... | data_image0
_chemical_formula_structural Fe12Ge10Tc
_chemical_formula_sum "Fe12 Ge10 Tc1"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_g... |
InsertBetweenAtomsAction | 59e88acb-af9c-457e-a4c2-06915201d8c7 | mp-1188515 | Insert a Tl atom in the line between atoms at indices 14 and 7, and the inserted atom must be 0.48 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ca4In2Os2O12
_chemical_formula_sum "Ca4 In2 Os2 O12"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4In2Os2O12Tl
_chemical_formula_sum "Ca4 In2 Os2 O12 Tl1"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 49c5a6d0-d610-4992-96b0-17bf61861fa5 | mp-1232328 | Insert a Y atom in the line between atoms at indices 3 and 5, and the inserted atom must be 2.42 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cu3Sb4O6F6
_chemical_formula_sum "Cu3 Sb4 O6 F6"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Cu3Sb4O6F6Y
_chemical_formula_sum "Cu3 Sb4 O6 F6 Y1"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
InsertBetweenAtomsAction | 05922846-33f6-4315-9f34-36b38468a64a | mp-1225817 | Insert a Es atom in the line between atoms at indices 2 and 7, and the inserted atom must be 4.47 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Dy2Fe4Co4B2
_chemical_formula_sum "Dy2 Fe4 Co4 B2"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.85780878999999
... | data_image0
_chemical_formula_structural Dy2Fe4Co4B2Es
_chemical_formula_sum "Dy2 Fe4 Co4 B2 Es1"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.8578087899... |
InsertBetweenAtomsAction | dd080e1f-ffa8-408f-8437-5a97bed8fd81 | mp-4647 | Insert a Nh atom in the line between atoms at indices 1 and 0, and the inserted atom must be 4.61 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6Nh
_chemical_formula_sum "K3 Cu8 Se6 Nh1"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space... |
InsertBetweenAtomsAction | 2d96f523-1d40-415c-bafb-f24192ce4566 | mp-1026788 | Insert a Cf atom in the line between atoms at indices 10 and 2, and the inserted atom must be 1.36 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14GaCf
_chemical_formula_sum "La1 Mg14 Ga1 Cf1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | cfb3f3d4-9e2e-415d-a31d-6f522dbec24f | mp-1106174 | Insert a Sb atom in the line between atoms at indices 1 and 8, and the inserted atom must be 0.97 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb14Rh6Sb
_chemical_formula_sum "Tb14 Rh6 Sb1"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.0009588... |
InsertBetweenAtomsAction | 23f48286-0230-4422-824c-c9c775aa5f33 | mp-666156 | Insert a Dy atom in the line between atoms at indices 10 and 4, and the inserted atom must be 4.63 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18Dy
_chemical_formula_sum "Na4 Te8 O18 Dy1"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_spac... |
InsertBetweenAtomsAction | 6d7e353f-2c51-4ed3-b7de-d49d8729340a | mp-1220577 | Insert a Ne atom in the line between atoms at indices 9 and 2, and the inserted atom must be 8.42 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nd3GdZr4O14
_chemical_formula_sum "Nd3 Gd1 Zr4 O14"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_group_... | data_image0
_chemical_formula_structural Nd3GdZr4O14Ne
_chemical_formula_sum "Nd3 Gd1 Zr4 O14 Ne1"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_... |
InsertBetweenAtomsAction | 8ff7494e-63e2-45f9-a4fe-c5455b18e0df | mp-1102378 | Insert a Nh atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.04 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Nd4Re8
_chemical_formula_sum "Nd4 Re8"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Nd4Re8Nh
_chemical_formula_sum "Nd4 Re8 Nh1"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | d1dd8a40-7a4f-4c52-b2ce-a634cb15391c | mp-1214455 | Insert a Cd atom in the line between atoms at indices 36 and 22, and the inserted atom must be 1.42 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28Cd
_chemical_formula_sum "Ba4 Fe8 Si8 O28 Cd1"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 11fea831-2d1b-4472-aebc-ad89034f450d | mp-1245786 | Insert a Be atom in the line between atoms at indices 34 and 16, and the inserted atom must be 4.04 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural In12Ga8N16Be
_chemical_formula_sum "In12 Ga8 N16 Be1"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 92f47e74-54dd-4c68-ac17-9f259f025da4 | mp-772276 | Insert a Ac atom in the line between atoms at indices 3 and 13, and the inserted atom must be 2.76 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20Ac
_chemical_formula_sum "Cr4 P4 O20 Ac1"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059... |
InsertBetweenAtomsAction | 728f62f3-c32b-4c07-8e8b-66c4d5fbdf41 | mp-1214285 | Insert a Fr atom in the line between atoms at indices 49 and 50, and the inserted atom must be 3.86 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be8Si8Ag16O32Fr
_chemical_formula_sum "Be8 Si8 Ag16 O32 Fr1"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9df4ecf0-b5e9-402e-af65-57198eacc9b9 | mp-615141 | Insert a Pu atom in the line between atoms at indices 8 and 4, and the inserted atom must be 2.71 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8Pu
_chemical_formula_sum "Pb2 Cl4 O8 Pu1"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M... |
InsertBetweenAtomsAction | e6102f1c-cbb1-4128-a194-a0d7b20b2995 | mp-1346690 | Insert a Ir atom in the line between atoms at indices 6 and 5, and the inserted atom must be 1.50 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Ir
_chemical_formula_sum "Mg2 Sn2 P4 O14 Ir1"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_gro... |
InsertBetweenAtomsAction | 7023afe6-77e8-43ed-89aa-9d26bc293d18 | mp-755554 | Insert a Br atom in the line between atoms at indices 6 and 4, and the inserted atom must be 0.97 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8Br
_chemical_formula_sum "Li2 Fe2 F8 Br1"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f7e24ace-cfbc-48fb-8d8a-07e880748b6f | mp-555706 | Insert a Mg atom in the line between atoms at indices 36 and 5, and the inserted atom must be 2.61 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Al4Si4H8O20Mg
_chemical_formula_sum "Li4 Al4 Si4 H8 O20 Mg1"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2ed39a29-3884-4f1b-99a1-4d457f8def0d | mp-1522321 | Insert a Gd atom in the line between atoms at indices 16 and 2, and the inserted atom must be 2.32 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural K4Sr4Ce4Sb4O24
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Sr4Ce4Sb4O24Gd
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24 Gd1"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 22350b3d-f4b8-44b7-a512-d9f3bf8fdadf | mp-770944 | Insert a Co atom in the line between atoms at indices 16 and 12, and the inserted atom must be 5.19 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li8Co4C8S2O32
_chemical_formula_sum "Li8 Co4 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
_s... | data_image0
_chemical_formula_structural Li8Co4C8S2O32Co
_chemical_formula_sum "Li8 Co5 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
... |
InsertBetweenAtomsAction | 01ae177b-3aee-4d5c-bc8d-32635334eb09 | mp-1036398 | Insert a Am atom in the line between atoms at indices 30 and 5, and the inserted atom must be 3.28 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg14AlBO16Am
_chemical_formula_sum "Mg14 Al1 B1 O16 Am1"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 22457144-9263-4781-8bb6-be3f99b81612 | mp-758607 | Insert a B atom in the line between atoms at indices 25 and 8, and the inserted atom must be 3.32 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Co4Si4O16B
_chemical_formula_sum "Li4 Co4 Si4 O16 B1"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 5961135d-2737-4302-9f6a-7b9d8f9d695c | mp-775316 | Insert a In atom in the line between atoms at indices 27 and 41, and the inserted atom must be 1.96 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Fe12O32
_chemical_formula_sum "Li8 Ti4 Fe12 O32"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803
_spa... | data_image0
_chemical_formula_structural Li8Ti4Fe12O32In
_chemical_formula_sum "Li8 Ti4 Fe12 O32 In1"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803... |
InsertBetweenAtomsAction | 47d4fb21-6a2d-4262-b9fe-dbf161231542 | mp-558350 | Insert a Md atom in the line between atoms at indices 1 and 41, and the inserted atom must be 1.05 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn16Te8Br16O24Md
_chemical_formula_sum "Zn16 Te8 Br16 O24 Md1"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7c29f7bd-32db-4afb-b66f-af9e3257e89b | mp-2230319 | Insert a Zn atom in the line between atoms at indices 17 and 2, and the inserted atom must be 1.99 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6Zn
_chemical_formula_sum "Mg1 Fe6 O6 F6 Zn1"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 63075585-eedd-4d5a-b345-be4acacd9ee3 | mp-728512 | Insert a Hf atom in the line between atoms at indices 33 and 30, and the inserted atom must be 5.46 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48Hf
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48 Hf1"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | f3e81e2b-bc63-4152-b103-60727b97b4b9 | mp-1105449 | Insert a Ga atom in the line between atoms at indices 1 and 19, and the inserted atom must be 5.04 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Ga
_chemical_formula_sum "Sm2 Tl2 P4 Se12 Ga1"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 91473dd6-f492-48df-b657-b69ed37beea0 | mp-608551 | Insert a Os atom in the line between atoms at indices 15 and 11, and the inserted atom must be 4.87 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ti2Al4Br16Os
_chemical_formula_sum "Ti2 Al4 Br16 Os1"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 0ee229bb-3a4a-4656-a1c4-3745d0ace2b1 | mp-1176688 | Insert a Rf atom in the line between atoms at indices 25 and 58, and the inserted atom must be 3.60 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li12Fe12Si12O48
_chemical_formula_sum "Li12 Fe12 Si12 O48"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li12Fe12Si12O48Rf
_chemical_formula_sum "Li12 Fe12 Si12 O48 Rf1"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 06a8864e-6144-4154-bd8e-10a406dab48b | mp-30447 | Insert a Ca atom in the line between atoms at indices 14 and 4, and the inserted atom must be 3.62 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Ca
_chemical_formula_sum "Sr18 Cd8 Bi18 Ca1"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
... |
InsertBetweenAtomsAction | e561417b-41a2-4d8e-bba7-d1b0a4db7e22 | mp-9511 | Insert a Kr atom in the line between atoms at indices 9 and 1, and the inserted atom must be 1.57 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8Kr
_chemical_formula_sum "K4 As2 Au2 S8 Kr1"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 442525c0-61c2-48b3-8b95-e15ebcc15126 | mp-1048483 | Insert a Co atom in the line between atoms at indices 8 and 0, and the inserted atom must be 4.37 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba2AlNi3O7Co
_chemical_formula_sum "Ba2 Al1 Ni3 O7 Co1"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 2aa579b2-c442-46a7-b3a3-c4aad0e0b756 | mp-756803 | Insert a P atom in the line between atoms at indices 4 and 3, and the inserted atom must be 3.05 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8P
_chemical_formula_sum "Li3 Fe4 Ni1 O8 P1"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_gro... |
InsertBetweenAtomsAction | fe01ee39-d0cf-4fb4-8a79-729cbfe98d31 | mp-758878 | Insert a Tm atom in the line between atoms at indices 1 and 10, and the inserted atom must be 0.96 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13Tm
_chemical_formula_sum "Li3 Fe8 O3 F13 Tm1"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129... |
InsertBetweenAtomsAction | e500e795-a1f7-4c21-9daf-039c60824f9e | mp-1028212 | Insert a At atom in the line between atoms at indices 11 and 2, and the inserted atom must be 2.62 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural LaMg14Al
_chemical_formula_sum "La1 Mg14 Al1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaMg14AlAt
_chemical_formula_sum "La1 Mg14 Al1 At1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H... |
InsertBetweenAtomsAction | f3eb2b04-4784-4ad5-8930-bc16d64f6ebb | mp-1205225 | Insert a Ni atom in the line between atoms at indices 56 and 58, and the inserted atom must be 3.65 angstrom from atom at 56 in the cif file. | data_image0
_chemical_formula_structural Fe6P12O54
_chemical_formula_sum "Fe6 P12 O54"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6P12O54Ni
_chemical_formula_sum "Fe6 P12 O54 Ni1"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-... |
InsertBetweenAtomsAction | e6d35b20-a040-464b-aeb9-b7ab4709ca19 | mp-1214002 | Insert a Cn atom in the line between atoms at indices 5 and 9, and the inserted atom must be 2.15 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20Cn
_chemical_formula_sum "Ce3 P6 Pd20 Cn1"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.0301374000... |
InsertBetweenAtomsAction | 5562d15e-d45b-40f4-af37-4ca270e2d92b | mp-1080028 | Insert a As atom in the line between atoms at indices 8 and 0, and the inserted atom must be 1.11 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6As
_chemical_formula_sum "Sr2 Zr1 Ti1 O6 As1"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.41464... |
InsertBetweenAtomsAction | f15781cb-6c14-4e6d-8d53-8c9bcbd4eb36 | mp-758001 | Insert a Ne atom in the line between atoms at indices 15 and 18, and the inserted atom must be 1.07 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Li8V4C4O20Ne
_chemical_formula_sum "Li8 V4 C4 O20 Ne1"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | b68a964a-ccc5-426c-aad9-4468d16a4efb | mp-1225690 | Insert a Fe atom in the line between atoms at indices 6 and 5, and the inserted atom must be 0.64 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7Fe
_chemical_formula_sum "Er2 Fe7 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5093541b-e140-47f1-87e9-dc6230e988c6 | mp-978989 | Insert a Es atom in the line between atoms at indices 13 and 18, and the inserted atom must be 2.72 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6Es
_chemical_formula_sum "Tc14 B6 Es1"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3c58ef79-27fb-469f-ab30-72e60ee3a71a | mp-568761 | Insert a F atom in the line between atoms at indices 8 and 26, and the inserted atom must be 2.80 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ag16Te16F
_chemical_formula_sum "Ag16 Te16 F1"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | a02a6c5f-a03b-49ec-b28f-8b834eea26b2 | mp-17383 | Insert a Fe atom in the line between atoms at indices 1 and 4, and the inserted atom must be 0.55 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ni8Ge4
_chemical_formula_sum "Ni8 Ge4"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Ni8Ge4Fe
_chemical_formula_sum "Ni8 Ge4 Fe1"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | d35897ba-2442-43d8-bc45-9e7ffa3be781 | mp-1199395 | Insert a Rb atom in the line between atoms at indices 17 and 26, and the inserted atom must be 3.00 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20Rb
_chemical_formula_sum "Zr4 O12 F20 Rb1"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.86828765999999... |
InsertBetweenAtomsAction | dbf87d66-33ce-4fab-91c9-af02986369be | mp-1029422 | Insert a Li atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.79 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6Li
_chemical_formula_sum "Nb2 Zn4 N6 Li1"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | 0dc18185-6a2c-4ba3-b78e-a3bf8762d0a4 | mp-1217800 | Insert a Ce atom in the line between atoms at indices 25 and 10, and the inserted atom must be 6.91 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33Ce
_chemical_formula_sum "Ta12 Mo1 O33 Ce1"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969... |
InsertBetweenAtomsAction | 0bc5ca88-39f9-480a-a81f-ef577b16d829 | mp-1214079 | Insert a Cu atom in the line between atoms at indices 1 and 27, and the inserted atom must be 3.28 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca6Cd32Cu
_chemical_formula_sum "Ca6 Cd32 Cu1"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ca6Cd32Cu2
_chemical_formula_sum "Ca6 Cd32 Cu2"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | 25b16231-6a56-43fa-a0b1-f8515864c543 | mp-28297 | Insert a Nh atom in the line between atoms at indices 12 and 26, and the inserted atom must be 4.70 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Nd12S8Br20Nh
_chemical_formula_sum "Nd12 S8 Br20 Nh1"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 672cb8b5-d535-486a-9c3c-602804157041 | mp-1218215 | Insert a Sb atom in the line between atoms at indices 8 and 13, and the inserted atom must be 1.81 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ta8Cu3S24
_chemical_formula_sum "Ta8 Cu3 S24"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta8Cu3S24Sb
_chemical_formula_sum "Ta8 Cu3 S24 Sb1"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 50b84151-0759-47b1-a74a-f61b2aa9d14f | mp-1224199 | Insert a Cr atom in the line between atoms at indices 8 and 0, and the inserted atom must be 1.36 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9Cr
_chemical_formula_sum "Ho12 Co9 Cr1"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_gro... |
InsertBetweenAtomsAction | 47516af7-f4c8-4b45-ac01-cfcba2889cdf | mp-728431 | Insert a Eu atom in the line between atoms at indices 25 and 9, and the inserted atom must be 3.41 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18Eu
_chemical_formula_sum "Li4 Cr4 O18 Eu1"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group... |
InsertBetweenAtomsAction | 020a1e24-5e6f-424f-9d80-5e957b2c88d1 | mp-559593 | Insert a Pr atom in the line between atoms at indices 0 and 17, and the inserted atom must be 0.78 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Pr
_chemical_formula_sum "P3 S9 N15 F6 Pr1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
InsertBetweenAtomsAction | 1d2e59de-2ab6-49bc-9913-fbf513188345 | mp-1177360 | Insert a Cf atom in the line between atoms at indices 11 and 24, and the inserted atom must be 1.91 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.24362554
_s... | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16Cf
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16 Cf1"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.243625... |
InsertBetweenAtomsAction | c0968cee-d30a-4190-a14a-cc960acf7412 | mp-557500 | Insert a Mg atom in the line between atoms at indices 7 and 9, and the inserted atom must be 3.36 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6Mg
_chemical_formula_sum "Li1 Ni1 P2 S6 Mg1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
InsertBetweenAtomsAction | 4e5735f2-0d11-49d0-a0bc-ad06445c072d | mp-19489 | Insert a Ti atom in the line between atoms at indices 1 and 2, and the inserted atom must be 2.62 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Ti
_chemical_formula_sum "Sm4 Co4 B20 O40 Ti1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 0d27b342-369c-40bb-bdfc-0bbca92e043a | mp-1176082 | Insert a Mg atom in the line between atoms at indices 22 and 15, and the inserted atom must be 1.31 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
_space... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Mg
_chemical_formula_sum "Li9 Mn2 Co5 O16 Mg1"
_cell_length_a 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
... |
InsertBetweenAtomsAction | 7b8a348b-c678-42a7-9f91-bf4ac0c9b2a5 | mp-775339 | Insert a Ru atom in the line between atoms at indices 31 and 2, and the inserted atom must be 2.84 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30Ru
_chemical_formula_sum "Li4 V2 Si12 O30 Ru1"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 96ddc9d9-a96d-4bc2-a3d9-cd76f5a64222 | mp-1112417 | Insert a Cl atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.32 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2TaAuF6
_chemical_formula_sum "K2 Ta1 Au1 F6"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TaAuF6Cl
_chemical_formula_sum "K2 Ta1 Au1 F6 Cl1"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | fa522d68-a1af-44e1-bcf8-6906620212d2 | mp-25285 | Insert a Rn atom in the line between atoms at indices 1 and 13, and the inserted atom must be 3.35 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12Rn
_chemical_formula_sum "Mn4 Ni2 O12 Rn1"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 249da3c4-2fa6-41ed-8546-e6b9be1ba388 | mp-2227842 | Insert a La atom in the line between atoms at indices 11 and 12, and the inserted atom must be 2.12 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8La
_chemical_formula_sum "Mg1 Bi4 O8 La1"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999... |
InsertBetweenAtomsAction | aa05d95a-dc3e-4381-bfb8-2419a3b78910 | mp-558636 | Insert a He atom in the line between atoms at indices 6 and 4, and the inserted atom must be 1.22 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca2Al4O8
_chemical_formula_sum "Ca2 Al4 O8"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al4O8He
_chemical_formula_sum "Ca2 Al4 O8 He1"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 143b0905-447b-479f-beeb-45f6dedcfffb | mp-570684 | Insert a Li atom in the line between atoms at indices 4 and 5, and the inserted atom must be 0.28 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8Li
_chemical_formula_sum "Zr4 Os8 Li1"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2a79aa0d-c8a5-4d8f-b574-f67506c8a8cb | mp-18245 | Insert a P atom in the line between atoms at indices 25 and 1, and the inserted atom must be 3.93 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Co4P4O16P
_chemical_formula_sum "Na4 Co4 P5 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 820fa754-dfbc-4dba-8719-19b2030b7e34 | mp-571569 | Insert a Nb atom in the line between atoms at indices 22 and 11, and the inserted atom must be 7.12 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18Nb
_chemical_formula_sum "Cd9 I18 Nb1"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 28f1d45e-eb31-4977-9ff1-9216cbe776dd | mp-759145 | Insert a Cl atom in the line between atoms at indices 24 and 55, and the inserted atom must be 1.47 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li12Co12Si12O48
_chemical_formula_sum "Li12 Co12 Si12 O48"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li12Co12Si12O48Cl
_chemical_formula_sum "Li12 Co12 Si12 O48 Cl1"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | e80fa0ae-22d5-4afe-8470-2307553b83c6 | mp-1224658 | Insert a B atom in the line between atoms at indices 18 and 6, and the inserted atom must be 1.75 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2B
_chemical_formula_sum "Ho4 Fe34 C2 B1"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 48f22914-9187-477b-8c4a-158114fa567e | mp-1228355 | Insert a Dy atom in the line between atoms at indices 3 and 25, and the inserted atom must be 3.53 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4Dy
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4 Dy1"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 2fe066eb-e22d-4b1c-8217-121e957fd015 | mp-626573 | Insert a Ag atom in the line between atoms at indices 36 and 3, and the inserted atom must be 5.92 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Fe16H16O32
_chemical_formula_sum "Fe16 H16 O32"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998
_spa... | data_image0
_chemical_formula_structural Fe16H16O32Ag
_chemical_formula_sum "Fe16 H16 O32 Ag1"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998... |
InsertBetweenAtomsAction | e5008fbb-6481-4592-92d4-58d81088de6d | mp-1522695 | Insert a Sr atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.82 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural KCaTbNbO6
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural KCaTbNbO6Sr
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6 Sr1"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_g... |
InsertBetweenAtomsAction | 03eee08c-2e03-482c-b1bd-cde61293ac94 | mp-1196766 | Insert a Rb atom in the line between atoms at indices 66 and 70, and the inserted atom must be 2.61 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Ce2Ni4N34O48
_chemical_formula_sum "Ce2 Ni4 N34 O48"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce2Ni4N34O48Rb
_chemical_formula_sum "Ce2 Ni4 N34 O48 Rb1"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 4c16689c-4cf7-42f4-9a6a-105fb8bf85bd | mp-1520482 | Insert a Os atom in the line between atoms at indices 9 and 4, and the inserted atom must be 2.22 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KEuFeSnO6
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KEuFeSnO6Os
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6 Os1"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | 9d9d0196-a121-4601-b044-3771250832d4 | mp-613620 | Insert a Lr atom in the line between atoms at indices 3 and 25, and the inserted atom must be 2.75 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Lr
_chemical_formula_sum "Rh16 O24 Lr1"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name... |
InsertBetweenAtomsAction | f2b45ba7-6f76-43ee-8758-7e11b39995ae | mp-1225428 | Insert a Lu atom in the line between atoms at indices 9 and 7, and the inserted atom must be 1.28 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Dy4V2Fe2O12
_chemical_formula_sum "Dy4 V2 Fe2 O12"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Dy4V2Fe2O12Lu
_chemical_formula_sum "Dy4 V2 Fe2 O12 Lu1"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | b1ad1f34-d661-4ef5-8c9a-d0cc2b86681d | mp-1208988 | Insert a Th atom in the line between atoms at indices 2 and 3, and the inserted atom must be 4.36 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6Th
_chemical_formula_sum "Sm3 Ni9 Sn6 Th1"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4e41a62b-b540-425b-889e-70a68c4c7c79 | mp-530449 | Insert a Ca atom in the line between atoms at indices 30 and 88, and the inserted atom must be 4.87 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56Ca
_chemical_formula_sum "Ca22 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 2691f62a-86e4-4c0b-82b2-21c2406b40f8 | mp-604304 | Insert a Si atom in the line between atoms at indices 17 and 37, and the inserted atom must be 1.66 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Hg2H32Br12N8
_chemical_formula_sum "Hg2 H32 Br12 N8"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hg2H32Br12N8Si
_chemical_formula_sum "Hg2 H32 Br12 N8 Si1"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 4a99c164-a7e7-4874-bde5-e99d4af582cd | mp-1102486 | Insert a Lu atom in the line between atoms at indices 3 and 6, and the inserted atom must be 1.26 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8Lu
_chemical_formula_sum "Sm2 P2 O8 Lu1"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_... |
InsertBetweenAtomsAction | ede0a404-c4ee-404b-a220-1068a2c066a3 | mp-768947 | Insert a Ta atom in the line between atoms at indices 2 and 10, and the inserted atom must be 1.35 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16Ta
_chemical_formula_sum "Li10 Zn3 Ge4 O16 Ta1"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001... |
InsertBetweenAtomsAction | e572119f-797d-4df5-9b01-8b063da108f3 | mp-1174188 | Insert a Ts atom in the line between atoms at indices 2 and 1, and the inserted atom must be 2.48 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773225099... | data_image0
_chemical_formula_structural Li6Mn2Co2O10Ts
_chemical_formula_sum "Li6 Mn2 Co2 O10 Ts1"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773... |
InsertBetweenAtomsAction | 6002f82d-a881-4030-ad22-527ec1302026 | mp-778104 | Insert a Si atom in the line between atoms at indices 23 and 25, and the inserted atom must be 2.20 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Na8V8O20Si
_chemical_formula_sum "Na8 V8 O20 Si1"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 2feae95a-91a9-477b-8546-91cc0716247d | mp-726132 | Insert a Sr atom in the line between atoms at indices 5 and 4, and the inserted atom must be 4.79 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10Sr
_chemical_formula_sum "Ta2 N4 Cl10 Sr1"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 8028b51c-f942-4abc-b2e0-ecc084ae9908 | mp-1214497 | Insert a Mc atom in the line between atoms at indices 17 and 15, and the inserted atom must be 2.41 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2Mc
_chemical_formula_sum "Ba10 P6 O24 F2 Mc1"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-... |
InsertBetweenAtomsAction | 15dfd239-30be-4b4f-8636-de8dac55c6fe | mp-1520242 | Insert a At atom in the line between atoms at indices 7 and 1, and the inserted atom must be 1.46 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6At
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6 At1"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | effce191-5f87-466d-bde3-698c49d6fa19 | mp-2713621 | Insert a Si atom in the line between atoms at indices 4 and 1, and the inserted atom must be 1.50 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Si
_chemical_formula_sum "Na12 Zr4 Ti4 Si9 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | 1a3fa02c-5b14-4245-915b-056978a7f7ac | mp-1213326 | Insert a At atom in the line between atoms at indices 33 and 9, and the inserted atom must be 5.15 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36At
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36 At1"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name... |
InsertBetweenAtomsAction | 8bfc6514-c6f7-418e-8feb-0e1ab2cb2ce3 | mp-1103985 | Insert a W atom in the line between atoms at indices 0 and 12, and the inserted atom must be 2.31 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6W
_chemical_formula_sum "Nd9 Pt6 W1"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999... |
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