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 |
|---|---|---|---|---|---|
SwapAtomsAction | a5b66ad6-0d4e-4b0e-b34e-a0cbc8a2c6e8 | mp-1206898 | Swap the spatial positions of atoms at indices 7 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Y3GeIn2GeYGe2
_chemical_formula_sum "Y4 Ge4 In2"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SwapAtomsAction | 13f75b64-b4e9-49a7-b37c-ac615b020c0c | mp-1214060 | Swap the spatial positions of atoms at indices 5 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mg10P6H2C2O32
_chemical_formula_sum "Ca2 Mg10 P6 H2 C2 O32"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93.15584... | data_image0
_chemical_formula_structural Ca2Mg3HMg6P6HMgC2O32
_chemical_formula_sum "Ca2 Mg10 H2 P6 C2 O32"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93.1... |
SwapAtomsAction | 87fe875a-133f-4c11-8fd8-d2fb824d97cc | mp-558681 | Swap the spatial positions of atoms at indices 23 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O7F3OF13
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | c301a264-f0ff-41d9-a8b3-c32a25b92d4d | mp-1196193 | Swap the spatial positions of atoms at indices 31 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H23C3HC5Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32... |
SwapAtomsAction | 97eacfc3-c1f9-477e-a5af-a1e3259bfd19 | mp-510581 | Swap the spatial positions of atoms at indices 2 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2HNiSn2NiH3
_chemical_formula_sum "Pr2 H4 Ni2 Sn2"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7c6d5f46-5e9b-49dd-a84d-aa2c6cf4b86e | mp-862893 | Swap the spatial positions of atoms at indices 6 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th3Nb12O36
_chemical_formula_sum "Th3 Nb12 O36"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_space_group... | data_image0
_chemical_formula_structural Th3Nb3ONb8O11NbO24
_chemical_formula_sum "Th3 Nb12 O36"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_spa... |
SwapAtomsAction | 9339a806-7cdb-44b5-9a4e-660dc70007bd | mp-1205145 | Swap the spatial positions of atoms at indices 58 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si3OSi12H8O22SiO29
_chemical_formula_sum "Na8 Ti4 Si16 O52 H8"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 8aac89bb-2526-4a5b-b1bc-d94a5682c776 | mp-768771 | Swap the spatial positions of atoms at indices 8 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8OLi3Bi4B8O14LiO9
_chemical_formula_sum "Li12 O24 Bi4 B8"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | 2b9b59ae-d772-4578-8b17-9be21fc9e6f7 | mp-1205906 | Swap the spatial positions of atoms at indices 4 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2OIO8IO3
_chemical_formula_sum "K2 Mn2 O12 I2"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M... |
SwapAtomsAction | 24f58ef3-0d61-48ad-b4c2-afb2df18d373 | mp-1211461 | Swap the spatial positions of atoms at indices 4 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Li4Dy4F20
_chemical_formula_sum "K4 Li4 Dy4 F20"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_group_name_H... | data_image0
_chemical_formula_structural K4FLi3Dy4F9LiF10
_chemical_formula_sum "K4 F20 Li4 Dy4"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_group_n... |
SwapAtomsAction | ca26ff2b-e2d4-4a49-bbb1-08affc9c193d | mp-2824 | Swap the spatial positions of atoms at indices 4 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al3PdAlPd7
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SwapAtomsAction | dd343cec-cc00-4230-92c4-b1896e4c6fb5 | mp-1046251 | Swap the spatial positions of atoms at indices 12 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta2OTaZn4W2O2TaO13
_chemical_formula_sum "Ta4 O16 Zn4 W2"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_... |
SwapAtomsAction | 8f7a26e2-a4ac-4e56-b2cd-02d0259a046c | mp-754378 | Swap the spatial positions of atoms at indices 8 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural OLiV6LiO7
_chemical_formula_sum "O8 Li2 V6"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
... |
SwapAtomsAction | 06a2dc07-0a30-497e-bcf6-7cb9b7447782 | mp-17446 | Swap the spatial positions of atoms at indices 7 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt3F28Pt
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | b4b3ecb0-58ed-43e4-b155-b3e0a1857b3f | mp-1079383 | Swap the spatial positions of atoms at indices 3 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce3CuIn2Cu2CeCu
_chemical_formula_sum "Ce4 Cu4 In2"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | 2c827a7c-bedf-4ec2-a847-747aa70f25f7 | mp-2223616 | Swap the spatial positions of atoms at indices 1 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgHCuH3O2F2
_chemical_formula_sum "Mg1 H4 Cu1 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.429297... |
SwapAtomsAction | cfb271a3-3e67-4f38-91bb-43db8d3d4a74 | mp-757276 | Swap the spatial positions of atoms at indices 15 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Ti4P6O24
_chemical_formula_sum "Li6 Ti4 P6 O24"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_space_group_... | data_image0
_chemical_formula_structural Li6Ti3P6TiO24
_chemical_formula_sum "Li6 Ti4 P6 O24"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_space_grou... |
SwapAtomsAction | 5d814427-bf42-49d2-83b3-76c81cf8553c | mp-1199851 | Swap the spatial positions of atoms at indices 18 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_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 Er4C6OC5O2CO29
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | 7370bcd8-6627-454a-a6aa-cd78b56bae3c | mp-760314 | Swap the spatial positions of atoms at indices 11 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O4FOF18
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_g... |
SwapAtomsAction | 7c9627a1-a85b-4525-90d9-92eaf1846568 | mp-1219511 | Swap the spatial positions of atoms at indices 2 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4O16
_chemical_formula_sum "Sb4 O16"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_space_gro... | data_image0
_chemical_formula_structural Sb2OSbO8SbO7
_chemical_formula_sum "Sb4 O16"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_spa... |
SwapAtomsAction | b5cb4fe2-802c-47f2-bb9c-6eceb19541af | mp-1235023 | Swap the spatial positions of atoms at indices 7 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiOZnFe4ZnO7
_chemical_formula_sum "Li1 O8 Zn2 Fe4"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.2667033299... |
SwapAtomsAction | 367bf4ea-8c77-42b5-b2c5-03e94b6f51b3 | mp-1276828 | Swap the spatial positions of atoms at indices 7 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4La4Co4O16
_chemical_formula_sum "Sr4 La4 Co4 O16"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr4La3OCo4O9LaO6
_chemical_formula_sum "Sr4 La4 O16 Co4"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle_ga... |
SwapAtomsAction | 2cd18b67-688f-4291-8d20-ca3de4317f53 | mp-1224390 | Swap the spatial positions of atoms at indices 3 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Au3HfAu6
_chemical_formula_sum "Au9 Hf1"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt... |
SwapAtomsAction | 45e0fe58-ce2b-4967-9124-2f74a7234c74 | mp-776479 | Swap the spatial positions of atoms at indices 16 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Y8I40
_chemical_formula_sum "Ba8 Y8 I40"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ba8Y3IY5I39
_chemical_formula_sum "Ba8 Y8 I40"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | d2e8eca7-27ba-4728-835e-da205fe08d46 | mp-9855 | Swap the spatial positions of atoms at indices 9 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Hf2Cu2S6
_chemical_formula_sum "K2 Hf2 Cu2 S6"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_name_H... | data_image0
_chemical_formula_structural SKHf2Cu2S3KS2
_chemical_formula_sum "S6 K2 Hf2 Cu2"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_nam... |
SwapAtomsAction | 9689a375-ad17-41f2-9e89-eb6532beae95 | mp-2240631 | Swap the spatial positions of atoms at indices 3 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.95590099
... | data_image0
_chemical_formula_structural MgTiCoO2CoO4
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.955900... |
SwapAtomsAction | ca995e41-7195-4ef8-909c-caf6cd4c7c09 | mp-1223327 | Swap the spatial positions of atoms at indices 2 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4C2O10
_chemical_formula_sum "La4 C2 O10"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural La2OLaC2O6LaO3
_chemical_formula_sum "La4 O10 C2"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt ... |
SwapAtomsAction | 6e3af90e-e3c8-4e71-ac5f-8f863673ba24 | mp-20461 | Swap the spatial positions of atoms at indices 0 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural OBaPb2O4BaO
_chemical_formula_sum "O6 Ba2 Pb2"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_sp... |
SwapAtomsAction | 43f4544e-3d34-4ffa-8fe4-e98aa9f34599 | mp-738612 | Swap the spatial positions of atoms at indices 11 and 50 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2H32C6N16O14
_chemical_formula_sum "Zn2 H32 C6 N16 O14"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.08920301... | data_image0
_chemical_formula_structural Zn2H9NH22C6N10HN5O14
_chemical_formula_sum "Zn2 H32 N16 C6 O14"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.08... |
SwapAtomsAction | e63e41d2-d5d1-41ae-8789-04d4ad09b3a4 | mp-1192032 | Swap the spatial positions of atoms at indices 3 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr2Be2SrBeB3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.... |
SwapAtomsAction | eeccd051-ec40-4372-a3f9-fb256a75522a | mp-1203429 | Swap the spatial positions of atoms at indices 29 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B21OsB2Os2BOs
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_gro... |
SwapAtomsAction | 4bea21b9-efc5-42fa-b041-d13a30982330 | mp-1101765 | Swap the spatial positions of atoms at indices 3 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Rh4Se4
_chemical_formula_sum "Bi4 Rh4 Se4"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Bi3Rh2BiRh2Se4
_chemical_formula_sum "Bi4 Rh4 Se4"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | d3cf34cd-2a98-4431-9e43-437ef716dc9f | mp-21286 | Swap the spatial positions of atoms at indices 5 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn2CoMnCoMnCo2Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | c8ebf449-c4d2-4ea5-9f70-fff62edfa3bb | mp-31027 | Swap the spatial positions of atoms at indices 3 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc12Re8Si16
_chemical_formula_sum "Sc12 Re8 Si16"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.586560140... | data_image0
_chemical_formula_structural Sc3SiSc8Re8Si14ScSi
_chemical_formula_sum "Sc12 Si16 Re8"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.5... |
SwapAtomsAction | 0add0359-de3f-41e8-9868-6eac8c0f4d50 | mp-1219272 | Swap the spatial positions of atoms at indices 41 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe8CFe24C3Fe
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space... |
SwapAtomsAction | 3edd2c44-9c13-4997-a131-f2191e08c99e | mp-1191177 | Swap the spatial positions of atoms at indices 21 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co9BCo4B3CoB2
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_sp... |
SwapAtomsAction | 46a695fb-231a-4700-9880-57c1df9e1ae8 | mp-753244 | Swap the spatial positions of atoms at indices 12 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural LiFMn4F6LiF11
_chemical_formula_sum "Li2 F18 Mn4"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_g... |
SwapAtomsAction | 989ed193-8c61-4e55-9694-91e456b6367f | mp-600039 | Swap the spatial positions of atoms at indices 62 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si24O48
_chemical_formula_sum "Si24 O48"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_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 Si22OSiO38SiO9
_chemical_formula_sum "Si24 O48"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | ae9e9153-12b7-41a9-bad4-5a7d36f82359 | mp-19488 | Swap the spatial positions of atoms at indices 42 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Mn4S4O16F12
_chemical_formula_sum "Rb8 Mn4 S4 O16 F12"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Rb8Mn4S4O4FO11F10OF
_chemical_formula_sum "Rb8 Mn4 S4 O16 F12"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 15ed9ce1-8054-47c7-bc9e-6a7846365fd8 | mp-1211033 | Swap the spatial positions of atoms at indices 6 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu6FeLu5In2Fe2Lu
_chemical_formula_sum "Lu12 Fe3 In2"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
SwapAtomsAction | ecb1ddec-3a83-445d-a3d6-4a7c3c3896ad | mp-1206399 | Swap the spatial positions of atoms at indices 3 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiClVCl5
_chemical_formula_sum "Rb2 Li1 Cl6 V1"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_na... |
SwapAtomsAction | cbf46477-e363-4441-81ba-9600209230e3 | mp-11321 | Swap the spatial positions of atoms at indices 16 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural OY5Ta2O8YO5
_chemical_formula_sum "O14 Y6 Ta2"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_a... |
SwapAtomsAction | d92fdb7b-ff89-4480-b498-bdbf05f3a8d8 | mp-555706 | Swap the spatial positions of atoms at indices 10 and 5 in the cif file. The indices of atoms are started from 0. | 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 Li4AlSiAl2Si2AlSiH8O20
_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_al... |
SwapAtomsAction | d589875a-cc71-42f5-8fa2-fd3f03cca987 | mp-19489 | Swap the spatial positions of atoms at indices 66 and 15 in the cif file. The indices of atoms are started from 0. | 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 Sm4Co4B7OB12O38BO
_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... |
SwapAtomsAction | 70f82ca9-370b-4f8c-94a8-6b6338742128 | mp-556233 | Swap the spatial positions of atoms at indices 7 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4O2ClO4
_chemical_formula_sum "K1 As4 O6 Cl1"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_... |
SwapAtomsAction | 6985a590-eba5-41d3-8c3c-1aedd319572c | mp-650121 | Swap the spatial positions of atoms at indices 16 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se4OSeO4SeO19
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_gr... |
SwapAtomsAction | 51affcf4-5ab9-438c-9f19-6ab95b08293e | mp-1245725 | Swap the spatial positions of atoms at indices 31 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Ni8N16
_chemical_formula_sum "Sr12 Ni8 N16"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_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 Sr11NNi8N11SrN4
_chemical_formula_sum "Sr12 N16 Ni8"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | 06df1be9-dd88-4c14-ba74-93f2f6704c07 | mp-1173734 | Swap the spatial positions of atoms at indices 18 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si7O3SiO21
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.0390... |
SwapAtomsAction | dbe627c9-8898-44b2-ae12-38b0027c1467 | mp-542830 | Swap the spatial positions of atoms at indices 23 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn23C6
_chemical_formula_sum "Mn23 C6"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004
_space... | data_image0
_chemical_formula_structural Mn20CMn3C5
_chemical_formula_sum "Mn23 C6"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004
_s... |
SwapAtomsAction | f8f06576-6aa6-4b1c-b6a4-cfaa68ae6748 | mp-2230054 | Swap the spatial positions of atoms at indices 4 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu3FCu2O2F5CuF4
_chemical_formula_sum "Mg1 Cu6 F10 O2"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999... |
SwapAtomsAction | b0609512-f10e-4da8-be36-f183cb820d7e | mp-2230007 | Swap the spatial positions of atoms at indices 0 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural SCs3MgTi2Ag4S6CsS
_chemical_formula_sum "S8 Cs4 Mg1 Ti2 Ag4"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_gr... |
SwapAtomsAction | 10a50a76-0642-447f-a4e3-7230718e703f | mp-31230 | Swap the spatial positions of atoms at indices 7 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4Cr4O14
_chemical_formula_sum "Tl4 Cr4 O14"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
_spac... | data_image0
_chemical_formula_structural Tl4Cr3OCrO13
_chemical_formula_sum "Tl4 Cr4 O14"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
_s... |
SwapAtomsAction | 9cfc0dcc-53cd-4e7a-a36f-0225f0779d4a | mp-849387 | Swap the spatial positions of atoms at indices 5 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu5FOFCuF9
_chemical_formula_sum "Cu6 F11 O1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_... |
SwapAtomsAction | f811aa80-03e3-42fd-81a6-1217ce1e5665 | mp-1105094 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4Hg4Cl12
_chemical_formula_sum "Tl4 Hg4 Cl12"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_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 Tl4ClHg3Cl5HgCl6
_chemical_formula_sum "Tl4 Cl12 Hg4"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | f6a5e1bc-2362-4926-998f-740f135d0e23 | mp-676712 | Swap the spatial positions of atoms at indices 16 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Re12Se12Cl12
_chemical_formula_sum "Re12 Se12 Cl12"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.78862754... | data_image0
_chemical_formula_structural Re7SeRe4Se4ReSe7Cl12
_chemical_formula_sum "Re12 Se12 Cl12"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.... |
SwapAtomsAction | c9536b8c-246e-4655-946d-7563ffacd13f | mp-1234848 | Swap the spatial positions of atoms at indices 23 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg6OAg7Pb6O2AgO15
_chemical_formula_sum "Mg1 Ag14 O18 Pb6"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_sp... |
SwapAtomsAction | b11b63ba-14e0-482f-b3e6-835f895a3a81 | mp-757738 | Swap the spatial positions of atoms at indices 11 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe11OFe7Co5O2FeO29
_chemical_formula_sum "Fe19 O32 Co5"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma ... |
SwapAtomsAction | b66520fc-6f20-4d57-b7e8-fcdaa655bcd0 | mp-1223619 | Swap the spatial positions of atoms at indices 18 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_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 MgSiMg2Al4Si10MgSi5O60
_chemical_formula_sum "Mg4 Si16 Al4 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | b1c89ea7-52fa-4fdb-b9a6-01d17332336f | mp-23451 | Swap the spatial positions of atoms at indices 1 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Cr4Br18
_chemical_formula_sum "Cs6 Cr4 Br18"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
_space_gr... | data_image0
_chemical_formula_structural CsBrCs4Cr4Br9CsBr8
_chemical_formula_sum "Cs6 Br18 Cr4"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
_... |
SwapAtomsAction | 9cdce70b-e718-4e78-8106-e073ca06acd3 | mp-1212741 | Swap the spatial positions of atoms at indices 21 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural EuOAl6B8O5EuO18
_chemical_formula_sum "Eu2 O24 Al6 B8"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
... |
SwapAtomsAction | 905f6f05-2fcc-4a5e-af50-be69f8b87eb1 | mp-1247150 | Swap the spatial positions of atoms at indices 46 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn23N19MnN9
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 30ec7d3d-c59f-40ac-bf39-960e804c422f | mp-861587 | Swap the spatial positions of atoms at indices 10 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr2In8Pd
_chemical_formula_sum "Pr2 In8 Pd1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.01682849
_spac... | data_image0
_chemical_formula_structural Pr2In5PdIn3
_chemical_formula_sum "Pr2 In8 Pd1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.01682849
_s... |
SwapAtomsAction | 8811b157-1555-46a4-a119-f57c1b24ba19 | mp-1224899 | Swap the spatial positions of atoms at indices 2 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural FeRePb2O6
_chemical_formula_sum "Fe1 Re1 Pb2 O6"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
_spac... | data_image0
_chemical_formula_structural FeReOPbO2PbO3
_chemical_formula_sum "Fe1 Re1 O6 Pb2"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
_... |
SwapAtomsAction | ac49deab-c5c4-4f20-a04f-8d0956508403 | mp-1214585 | Swap the spatial positions of atoms at indices 11 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 BaOPrCu3O5Ba
_chemical_formula_sum "Ba2 O6 Pr1 Cu3"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | 4aed885f-3950-4bfb-8d47-a2253733f351 | mp-557123 | Swap the spatial positions of atoms at indices 13 and 36 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4SiOSi10O12SiO19
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | 9b104d45-073c-4391-a0f5-0e8d963f7f5e | mp-29185 | Swap the spatial positions of atoms at indices 13 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O2FO3F3O
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
... |
SwapAtomsAction | 1034334c-dae6-4772-b644-b14a8b31e4e8 | mp-532424 | Swap the spatial positions of atoms at indices 8 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Al22O34
_chemical_formula_sum "K2 Al22 O34"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_group_name_H... | data_image0
_chemical_formula_structural K2Al6OAl15O11AlO22
_chemical_formula_sum "K2 Al22 O34"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_gro... |
SwapAtomsAction | 8f2cfe4c-1fe7-4b4c-af13-260f95edbc37 | mp-976118 | Swap the spatial positions of atoms at indices 8 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg2H12I6N2O2
_chemical_formula_sum "Hg2 H12 I6 N2 O2"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.43844644
_sp... | data_image0
_chemical_formula_structural Hg2H6OH5I6N2OH
_chemical_formula_sum "Hg2 H12 O2 I6 N2"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.43844644
_... |
SwapAtomsAction | 8d76e1d1-9e70-494a-bbed-bcf0a286056a | mp-1218673 | Swap the spatial positions of atoms at indices 2 and 42 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr2ZnSrZn38SrZn12
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma ... |
SwapAtomsAction | be4085c2-f8d6-49ae-8e0a-2651d0939c14 | mp-1189919 | Swap the spatial positions of atoms at indices 5 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3P3O12
_chemical_formula_sum "Li3 P3 O12"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792
_spa... | data_image0
_chemical_formula_structural Li3P2O7PO5
_chemical_formula_sum "Li3 P3 O12"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792
_s... |
SwapAtomsAction | d3ea236b-bbb7-4454-a606-8e2cc6ed22d7 | mp-558681 | Swap the spatial positions of atoms at indices 30 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 FP7Cl8O8F6PF9
_chemical_formula_sum "F16 P8 Cl8 O8"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 842bb990-76a6-4a1a-980a-052bfb0e0c61 | mp-542012 | Swap the spatial positions of atoms at indices 2 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb2SRb5Hf6S21RbS6
_chemical_formula_sum "Rb8 S28 Hf6"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gam... |
SwapAtomsAction | ce21ac26-a57a-4c21-98e6-f874c8c0249c | mp-19489 | Swap the spatial positions of atoms at indices 55 and 24 in the cif file. The indices of atoms are started from 0. | 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 Sm4Co4B16OB3O27BO12
_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_na... |
SwapAtomsAction | 4bb3a74d-1c04-4dd8-a6af-bd5c4bc223c9 | mp-24402 | Swap the spatial positions of atoms at indices 18 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4OSi3H4O2SiO17
_chemical_formula_sum "Ca4 Al4 O20 Si4 H4"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 28e5ee55-02d7-4518-83e6-998772152990 | mp-861061 | Swap the spatial positions of atoms at indices 13 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si6Ni6O20
_chemical_formula_sum "Li4 Si6 Ni6 O20"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.921792270000005
_sp... | data_image0
_chemical_formula_structural Li4Si5Ni4SiNi2O20
_chemical_formula_sum "Li4 Si6 Ni6 O20"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.921792270000005... |
SwapAtomsAction | 200c802b-bd1a-4d36-b2b9-1812425094d0 | mp-572465 | Swap the spatial positions of atoms at indices 24 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P3SP4S8PS15
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | a4618d49-2622-4452-924c-cc59ab62cc62 | mp-1044027 | Swap the spatial positions of atoms at indices 7 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2La2Fe2W2O12
_chemical_formula_sum "Ca2 La2 Fe2 W2 O12"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.4459353
_... | data_image0
_chemical_formula_structural Ca2La2Fe2WO4WO8
_chemical_formula_sum "Ca2 La2 Fe2 W2 O12"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.4459353
... |
SwapAtomsAction | 5f0a987e-8800-4e98-ae02-0fbce8893c93 | mp-1111119 | Swap the spatial positions of atoms at indices 0 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2YInF6
_chemical_formula_sum "K2 Y1 In1 F6"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural YK2InF6
_chemical_formula_sum "Y1 K2 In1 F6"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
SwapAtomsAction | 96c8d922-b40f-407b-9ff8-558a8d9d7364 | mp-1043709 | Swap the spatial positions of atoms at indices 2 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O24
_chemical_formula_sum "Ca2 Ti2 Sn2 P6 O24"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.5230127799... | data_image0
_chemical_formula_structural Ca2PTiSn2P3TiP2O24
_chemical_formula_sum "Ca2 P6 Ti2 Sn2 O24"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.523012... |
SwapAtomsAction | 561b80e4-a070-47bf-bcd2-7e77d6bfec70 | mp-779533 | Swap the spatial positions of atoms at indices 9 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba9OBa2Br8O4BaO3
_chemical_formula_sum "Ba12 O8 Br8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 944803fc-5d8b-49f8-8214-b963d342580f | mp-1227442 | Swap the spatial positions of atoms at indices 8 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH2O3HO2
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_g... |
SwapAtomsAction | 5035421e-fb74-4ea7-afdb-28a9e8485da9 | mp-28481 | Swap the spatial positions of atoms at indices 0 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural OTiCl8O23TiO8
_chemical_formula_sum "O32 Ti2 Cl8"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_n... |
SwapAtomsAction | 16baceac-75c8-4ce8-9e21-f09f117af7dd | mp-1199329 | Swap the spatial positions of atoms at indices 19 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C7O19CO5
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_gro... |
SwapAtomsAction | 51603038-ef33-45d8-ba03-66d89c2777e4 | mp-1180605 | Swap the spatial positions of atoms at indices 7 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S3O26SO12
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.45624... |
SwapAtomsAction | 119edc22-b737-49ee-b5ef-70d598d47422 | mp-22991 | Swap the spatial positions of atoms at indices 0 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2V2I6
_chemical_formula_sum "Cs2 V2 I6"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural VCsVCsI6
_chemical_formula_sum "V2 Cs2 I6"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 96882031-49eb-405c-86aa-b45f8a929978 | mp-1208371 | Swap the spatial positions of atoms at indices 11 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl2NTlN7TlCl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 11bf7f73-4982-4a1c-a423-5ea72c2c4961 | mp-1196536 | Swap the spatial positions of atoms at indices 24 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Np8Se4O36
_chemical_formula_sum "Np8 Se4 O36"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Np8Se2OSeO12SeO23
_chemical_formula_sum "Np8 Se4 O36"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | eac84270-0f99-4d2c-9875-a50765373217 | mp-1196507 | Swap the spatial positions of atoms at indices 17 and 65 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K17OK18Fe8O21KO10
_chemical_formula_sum "K36 O32 Fe8"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_... |
SwapAtomsAction | 55133778-b3e4-432a-87a2-2155ddfc4e7d | mp-34376 | Swap the spatial positions of atoms at indices 9 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Cd2S8
_chemical_formula_sum "Tb4 Cd2 S8"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
_spac... | data_image0
_chemical_formula_structural STb3Cd2S3TbS4
_chemical_formula_sum "S8 Tb4 Cd2"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
... |
SwapAtomsAction | 6aa6dff3-b0a5-455a-8f56-64c3229bd129 | mp-765621 | Swap the spatial positions of atoms at indices 1 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural VFV2F16VF3
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SwapAtomsAction | 610dbd14-5314-4908-a292-b9e977ad5510 | mp-1029491 | Swap the spatial positions of atoms at indices 4 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 CoCs4Co3N4
_chemical_formula_sum "Co4 Cs4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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... |
SwapAtomsAction | 25a038cb-a9ee-4ba4-82fc-4a5ffc59f55f | mp-1195683 | Swap the spatial positions of atoms at indices 11 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na6LuNa3LuNaH8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | e182cfc8-7d09-4a0e-8e3e-10318eeef03d | mp-753328 | Swap the spatial positions of atoms at indices 18 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn2OCo2O8MnO
_chemical_formula_sum "Li5 Mn3 O10 Co2"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_g... |
SwapAtomsAction | 5c0392cd-4bcb-43ff-98d0-e0b816401a4d | mp-19414 | Swap the spatial positions of atoms at indices 6 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K6Cr2O8
_chemical_formula_sum "K6 Cr2 O8"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4CrK2CrO8
_chemical_formula_sum "K6 Cr2 O8"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_name_H... |
SwapAtomsAction | 648cf248-88c0-40bf-9210-dfc92c37ab3f | mp-760060 | Swap the spatial positions of atoms at indices 43 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8S16O64
_chemical_formula_sum "Sb8 S16 O64"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_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 OSb7S16O19SbO44
_chemical_formula_sum "O64 Sb8 S16"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | cd98e559-951d-4096-b2fa-aca89580422e | mp-760233 | Swap the spatial positions of atoms at indices 8 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P2OP3O7PO16
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837... |
SwapAtomsAction | b86a6793-df65-47ee-bedc-99d1df954954 | mp-2240560 | Swap the spatial positions of atoms at indices 3 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCoOCoO5
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.446454... |
SwapAtomsAction | 7dd7866a-39b5-4d43-b9cf-03550f976cdd | mp-818536 | Swap the spatial positions of atoms at indices 2 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2OCr3O4CrO15
_chemical_formula_sum "Ce2 O20 Cr4"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | efdf7c10-9fa1-4500-8c11-2e69db4198a7 | mp-1212516 | Swap the spatial positions of atoms at indices 40 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C2NCS4N8CN3O12
_chemical_formula_sum "H24 C4 N12 S4 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group... |
SwapAtomsAction | 78d860dd-9f4f-4609-9032-5a0185d79fd9 | mp-768410 | Swap the spatial positions of atoms at indices 7 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn2B8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li2MnLi3MnLiB8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
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