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 | 6c33983e-4305-4946-81a2-8a88442475f3 | mp-686085 | Swap the spatial positions of atoms at indices 24 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... | data_image0
_chemical_formula_structural Sc13Cu11OCuO5CuO27
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
... |
SwapAtomsAction | 6ad405a2-3d6c-46e7-9d67-ec11403dafe7 | mp-14734 | Swap the spatial positions of atoms at indices 5 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4CFC2O4F9CF2
_chemical_formula_sum "Cs4 C4 F12 O4"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | a5655d42-f1fb-4853-8c74-53db774c3260 | mp-755663 | Swap the spatial positions of atoms at indices 3 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta3Pb4TaO14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_... |
SwapAtomsAction | 69d86671-7ff5-4b2b-811e-832e019e2d9a | mp-21683 | Swap the spatial positions of atoms at indices 2 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2PNi20P4NiP
_chemical_formula_sum "In2 P6 Ni21"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_s... |
SwapAtomsAction | 07b46018-57ed-4913-a259-aaafe4c99c4e | mp-1196179 | Swap the spatial positions of atoms at indices 14 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm14CrTmCr3TmCr4S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | e986a7b2-3f09-4f60-b6df-85f25c0e0967 | mp-1221008 | Swap the spatial positions of atoms at indices 24 and 56 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni15SnNi8Sn23NiSn25
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
... |
SwapAtomsAction | 501e9b6f-cd00-4627-9c47-542ce7bb066c | mp-1182799 | Swap the spatial positions of atoms at indices 0 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... | data_image0
_chemical_formula_structural OCa3Si4H8O11CaO4
_chemical_formula_sum "O16 Ca4 Si4 H8"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000... |
SwapAtomsAction | 2f6661f4-2bba-4949-86f8-6edc7b1b31b1 | mp-1027815 | Swap the spatial positions of atoms at indices 3 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg2CoMg12
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt ... |
SwapAtomsAction | 9d932889-e4bf-4179-9108-72390be95280 | mp-8762 | Swap the spatial positions of atoms at indices 19 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S7O4S
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | e1eb7eb3-4f6b-4d61-989e-66eb71badaa2 | mp-1188640 | Swap the spatial positions of atoms at indices 12 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr5SnZr4Sn2ZrSn3As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_n... |
SwapAtomsAction | d467fef1-90e9-49bb-9cee-8bf1655683d9 | mp-887412 | Swap the spatial positions of atoms at indices 22 and 75 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P2OP9O43PO4
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
... |
SwapAtomsAction | 655424e1-746d-47e3-96ca-48cac254521f | mp-1199467 | Swap the spatial positions of atoms at indices 0 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 GeLu19Ge9LuGe6
_chemical_formula_sum "Ge16 Lu20"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | a089865d-8fbb-457a-80ef-ba7ebaac59c9 | mp-973966 | Swap the spatial positions of atoms at indices 1 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... | data_image0
_chemical_formula_structural LiOI4O3InO8
_chemical_formula_sum "Li1 O12 I4 In1"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_gr... |
SwapAtomsAction | 50b664b4-4c67-48eb-be4d-c57b4b06ee51 | mp-1032871 | Swap the spatial positions of atoms at indices 7 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6O7AlO
_chemical_formula_sum "Hf1 Mg6 O8 Al1"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | e480afe3-0667-4171-b01e-100d5c1b86eb | mp-2215839 | 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 Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2OZrCrO4MgO
_chemical_formula_sum "Sr2 O6 Zr1 Cr1 Mg1"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.571333789... |
SwapAtomsAction | 83aa7824-1f1f-4198-a250-2575ef47b0e7 | mp-763659 | Swap the spatial positions of atoms at indices 10 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2FeO4FeO4
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_s... |
SwapAtomsAction | 05507461-5088-4f2a-8ba6-f8a0564c1e96 | mp-1227077 | Swap the spatial positions of atoms at indices 30 and 45 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... | data_image0
_chemical_formula_structural Cd30PdCd12Pd2CdPd5
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.... |
SwapAtomsAction | 1394aee2-5d5f-4d01-b48e-1e74eaf342a8 | mp-1229311 | Swap the spatial positions of atoms at indices 41 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... | data_image0
_chemical_formula_structural Ag5Sb18SSb4Pb12SSbS46
_chemical_formula_sum "Ag5 Sb23 S48 Pb12"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
... |
SwapAtomsAction | e0ab9202-7037-4cfa-861b-56b7f027b803 | mp-1173734 | Swap the spatial positions of atoms at indices 22 and 13 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 NaCa3Fe4Si5OSi2O6SiO17
_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.... |
SwapAtomsAction | bc3ff623-7c39-49e2-8dff-8cf9c8c0ae0a | mp-1182238 | Swap the spatial positions of atoms at indices 8 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba3OBa5O15
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 2e47bb51-5ab9-46a4-9cb9-080c069caaa5 | mp-15539 | Swap the spatial positions of atoms at indices 12 and 56 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca4Mn8OBe11Si12O20BeO27
_chemical_formula_sum "Ca4 Mn8 O48 Be12 Si12"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SwapAtomsAction | 69c5f206-9f93-4c6c-8425-13369ed015dc | mp-5996 | Swap the spatial positions of atoms at indices 53 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Na3ONa4Ti8Si8O29NaO6
_chemical_formula_sum "Na8 O36 Ti8 Si8"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 85424493-cb1a-4893-b840-6a9ecae47a19 | mp-510 | Swap the spatial positions of atoms at indices 25 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta8OTa7O9TaO22
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space... |
SwapAtomsAction | 88e9e79a-5bab-495b-a4d4-67e5c4d9c01b | mp-1200475 | Swap the spatial positions of atoms at indices 46 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2OB15O28BO5
_chemical_formula_sum "U2 O34 B16"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_... |
SwapAtomsAction | 07fcb621-7779-4402-a1e3-3d0ff53ef2b8 | mp-1103787 | Swap the spatial positions of atoms at indices 12 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... | data_image0
_chemical_formula_structural Si6AuNi4AuSi
_chemical_formula_sum "Si7 Au2 Ni4"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062... |
SwapAtomsAction | ecd60213-8bd9-4341-bb04-a12af9d63901 | mp-1110608 | 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 Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural FRbInAgRbF5
_chemical_formula_sum "F6 Rb2 In1 Ag1"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
SwapAtomsAction | c71320ba-c5bf-4bff-9d47-18b72fc31997 | mp-1026829 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg11KMg3Cd
_chemical_formula_sum "Mg14 K1 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "... |
SwapAtomsAction | c9ae0e14-a409-4826-b684-5d1e7f9fb7e0 | mp-21787 | Swap the spatial positions of atoms at indices 41 and 59 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_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 O36Eu5AuEu10Au7Eu
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1bebc348-1ea6-412d-bbea-77b3b3e528fb | mp-1233843 | Swap the spatial positions of atoms at indices 3 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo2FCo3O2F9Co
_chemical_formula_sum "Mg1 Co6 F10 O2"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_s... |
SwapAtomsAction | b47c6000-fb98-4982-9cd1-698dd80b2382 | mp-1192109 | Swap the spatial positions of atoms at indices 7 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... | data_image0
_chemical_formula_structural K2H4PdON3O8NO
_chemical_formula_sum "K2 H4 Pd1 O10 N4"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.8486277999... |
SwapAtomsAction | 250cf40f-b655-4128-b54a-accd2b589f37 | mp-18245 | Swap the spatial positions of atoms at indices 14 and 1 in the cif file. The indices of atoms are started from 0. | 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 NaONa2Co4P4O2NaO13
_chemical_formula_sum "Na4 O16 Co4 P4"
_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... |
SwapAtomsAction | 0b683fb8-c20f-497f-84b4-f8485f99f276 | mp-1191086 | Swap the spatial positions of atoms at indices 3 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2MnCuMnCu4MnCu4P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_... |
SwapAtomsAction | b3be895e-4743-4f74-b11a-32e0af06af34 | mp-758497 | Swap the spatial positions of atoms at indices 8 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... | data_image0
_chemical_formula_structural Li4Cu4OP3O13PO2
_chemical_formula_sum "Li4 Cu4 O16 P4"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_grou... |
SwapAtomsAction | d110cb4f-722d-431d-a0d9-b27d5ab3ace6 | mp-1102486 | Swap the spatial positions of atoms at indices 1 and 9 in the cif file. The indices of atoms are started from 0. | 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 SmOP2O5SmO2
_chemical_formula_sum "Sm2 O8 P2"
_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
_sp... |
SwapAtomsAction | 87aee305-60ae-4940-8588-bda68366ceb5 | mp-676501 | Swap the spatial positions of atoms at indices 41 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural K6Sn2OSnS6Br2O23Sn
_chemical_formula_sum "K6 Sn4 O24 S6 Br2"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | e84453f1-b1ed-423d-ab83-0b36fa8b66ec | mp-850998 | 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 Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li3Mn2LiMn4B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.556853409999... |
SwapAtomsAction | 48d47385-5abf-4765-91ae-b58a71fab924 | mp-531661 | Swap the spatial positions of atoms at indices 45 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd5ONd4Ti12O23NdO15
_chemical_formula_sum "Nd10 O39 Ti12"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
... |
SwapAtomsAction | 8f42f994-0b7b-466e-8c74-2c1498743b2d | mp-777349 | Swap the spatial positions of atoms at indices 17 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn5FO6F5Mn
_chemical_formula_sum "Mn6 F6 O6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_g... |
SwapAtomsAction | 264aa51a-7e31-445d-ae45-c6e337714ef4 | mp-25275 | Swap the spatial positions of atoms at indices 2 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn2OMnO4MnO3
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_... |
SwapAtomsAction | 18d71f68-f804-4e8a-9c3e-9e6b6a27bb20 | mp-38347 | Swap the spatial positions of atoms at indices 22 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... | data_image0
_chemical_formula_structural Ca2Pr6SePr9Se4PrSe19
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
... |
SwapAtomsAction | d8c3ad29-eae2-4f07-b0ae-936f1d2966ba | mp-1027965 | Swap the spatial positions of atoms at indices 13 and 15 in the cif file. The indices of atoms are started from 0. | 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 YMg12GaMg2
_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_... |
SwapAtomsAction | b291214c-fdac-4607-bad6-3d057e5f852e | mp-1045861 | Swap the spatial positions of atoms at indices 21 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... | data_image0
_chemical_formula_structural Ca2Mn5OMn3O10MnO2
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_sp... |
SwapAtomsAction | 4820fae2-0eca-4829-af25-3ac518f050e1 | mp-1175749 | Swap the spatial positions of atoms at indices 20 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co2OCo2O4CoO11
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.... |
SwapAtomsAction | b91c0812-6a14-4ca1-b599-9947f45abf31 | mp-1229052 | Swap the spatial positions of atoms at indices 41 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al27VAl14V3
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_spa... |
SwapAtomsAction | ff5f7b4f-1583-43b0-8de9-3f25ec7ee26b | mp-1174080 | Swap the spatial positions of atoms at indices 2 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... | data_image0
_chemical_formula_structural Li2OLiMnCo3O7Li
_chemical_formula_sum "Li4 O8 Mn1 Co3"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.9609823... |
SwapAtomsAction | d5d33240-0f14-4feb-9e69-46c99f39a2d4 | mp-1030101 | Swap the spatial positions of atoms at indices 4 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4W3MoSe4
_chemical_formula_sum "Te4 W3 Mo1 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... |
SwapAtomsAction | 4a4f942d-8cf1-486c-80a2-ab838bc6d185 | mp-1194859 | Swap the spatial positions of atoms at indices 21 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al3OV4Te8O5AlO26
_chemical_formula_sum "Al4 O32 V4 Te8"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | d63252fe-60fc-4a1c-a199-59c419dc0e06 | mp-18561 | Swap the spatial positions of atoms at indices 1 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural GaRhGa2As2Rh9Ga
_chemical_formula_sum "Ga4 Rh10 As2"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | 6050e8b8-3e09-4d38-ae3d-aeb644cc5b50 | mp-1208667 | Swap the spatial positions of atoms at indices 4 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C2OCO3CO6
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_gro... |
SwapAtomsAction | bcc149c7-ee12-41bd-8341-ad0d961ad978 | mp-774827 | Swap the spatial positions of atoms at indices 0 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... | data_image0
_chemical_formula_structural OLi3V2CrTeO11Li
_chemical_formula_sum "O12 Li4 V2 Cr1 Te1"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.921892220000... |
SwapAtomsAction | 3746b7d5-0cb3-4200-834c-830d9ed780ae | mp-757418 | Swap the spatial positions of atoms at indices 3 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi2OTi13O7TiO24
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_sp... |
SwapAtomsAction | 63d90062-5afa-495d-8ff1-6020c38ba72c | mp-1213886 | Swap the spatial positions of atoms at indices 3 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce3FCe4Tl8F19CeF20
_chemical_formula_sum "Ce8 F40 Tl8"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_na... |
SwapAtomsAction | e6c296db-4ebf-4677-9fe9-96fd80a6cf75 | mp-1027998 | Swap the spatial positions of atoms at indices 5 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg5CuMg8ZnMg
_chemical_formula_sum "Mg14 Cu1 Zn1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M... |
SwapAtomsAction | 1e87eb7e-5368-41f0-ae72-8393b36fed68 | mp-1209256 | 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 Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_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 Sr2GdCuTaCuO8
_chemical_formula_sum "Sr2 Gd1 Cu2 Ta1 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 40a08e31-2be2-48a1-98b8-ca146e3fa38f | mp-1023289 | Swap the spatial positions of atoms at indices 1 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 MgWMg10Al2MgW
_chemical_formula_sum "Mg12 W2 Al2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
SwapAtomsAction | 38274df7-5915-46ed-b152-ccaf6bc1badb | mp-1029743 | Swap the spatial positions of atoms at indices 3 and 62 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba3NBa12Ge16N30BaN
_chemical_formula_sum "Ba16 N32 Ge16"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | fd0d7069-1cb1-4719-84af-b16ac2ac0a42 | mp-796259 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_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_IT_num... | data_image0
_chemical_formula_structural OFe3O2FeO5
_chemical_formula_sum "O8 Fe4"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_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_I... |
SwapAtomsAction | 5887e465-a43e-436f-b380-7c00d7e6954f | mp-2747986 | Swap the spatial positions of atoms at indices 2 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2OU3O9UO2
_chemical_formula_sum "Cs2 O12 U4"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_grou... |
SwapAtomsAction | c3c5458c-f750-4e32-a09c-5c37eba41196 | mp-779526 | Swap the spatial positions of atoms at indices 7 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe7OFe2O4FeO9F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.4233197... |
SwapAtomsAction | 891ce3ec-fca7-42b8-a14e-7bcd120470ee | mp-35143 | Swap the spatial positions of atoms at indices 0 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SBaNb2S5Ba
_chemical_formula_sum "S6 Ba2 Nb2"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt... |
SwapAtomsAction | 4c457cbd-170f-43d0-b4e1-424175ca9d0b | mp-758815 | Swap the spatial positions of atoms at indices 71 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2OLi5Mn4P16O43LiO4
_chemical_formula_sum "Li8 O48 Mn4 P16"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | d7782af2-b963-432a-8ad9-40f715af3f5b | mp-1178619 | Swap the spatial positions of atoms at indices 4 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl2OCl5O18ClO13
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_s... |
SwapAtomsAction | ce8451e0-51a1-472b-864e-6fd07e6880a2 | mp-780315 | Swap the spatial positions of atoms at indices 2 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li2OLiCr2Fe3O6LiO3
_chemical_formula_sum "Li4 O10 Cr2 Fe3"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
... |
SwapAtomsAction | 09224c9a-2913-4755-a3f2-6afa48af88f7 | mp-780431 | Swap the spatial positions of atoms at indices 67 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li3OLi4Fe8P8H16O27LiO12
_chemical_formula_sum "Li8 O40 Fe8 P8 H16"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | cbc4f94c-5b45-47c5-9eee-916f573883b9 | mp-850188 | Swap the spatial positions of atoms at indices 4 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2FOF4OF3
_chemical_formula_sum "Li2 V2 F8 O2"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt ... |
SwapAtomsAction | 8812d1c7-35b0-4b02-915b-47dd2234aaa2 | mp-699403 | Swap the spatial positions of atoms at indices 12 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba2La6Ti2Cr2OCr3O18CrO5
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SwapAtomsAction | e9b39cb3-8ebc-486d-b834-dab5308462d9 | mp-559738 | Swap the spatial positions of atoms at indices 48 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb5ClSb2S8N8Cl24SbCl15
_chemical_formula_sum "Sb8 Cl40 S8 N8"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.655667... |
SwapAtomsAction | 78806871-6e91-4f0e-81f2-ede77894d80e | mp-1198626 | Swap the spatial positions of atoms at indices 93 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... | data_image0
_chemical_formula_structural K12Co4C21OC2O53CO2
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.404800580000... |
SwapAtomsAction | ac3f08ff-340a-48ae-bb6d-7b260a42fce8 | mp-1235973 | 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 LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4AgOAg2O4AgO7
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
SwapAtomsAction | 6a16bb48-804a-4d15-bf18-c19ad709d31e | mp-765943 | Swap the spatial positions of atoms at indices 7 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li7OLi4V8O14LiOF8
_chemical_formula_sum "Li12 O16 V8 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
... |
SwapAtomsAction | e1032a12-3ffa-4dde-80ec-7a69a58102f7 | mp-25954 | Swap the spatial positions of atoms at indices 28 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co5OP6O16CoO7
_chemical_formula_sum "Co6 O24 P6"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_a... |
SwapAtomsAction | 873ead86-8b0f-45b5-b7b9-f163293eea68 | mp-16136 | Swap the spatial positions of atoms at indices 22 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural SrOSrTaGa3Si2O13Sr
_chemical_formula_sum "Sr3 O14 Ta1 Ga3 Si2"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_gro... |
SwapAtomsAction | 145cc7f4-8bab-451a-9d11-7b18fc7e25c7 | mp-755023 | Swap the spatial positions of atoms at indices 4 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn2O8Mn
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_nam... |
SwapAtomsAction | 60ebfcef-90cd-4bcf-a2aa-f9dd9faff923 | mp-1217240 | Swap the spatial positions of atoms at indices 36 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... | data_image0
_chemical_formula_structural U3SU2P8S22US9
_chemical_formula_sum "U6 S32 P8"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_grou... |
SwapAtomsAction | 02c578e0-c037-442b-97d4-537041bb2a09 | mp-867658 | Swap the spatial positions of atoms at indices 3 and 57 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La3OLa10Mn13O30LaO11
_chemical_formula_sum "La14 O42 Mn13"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 10... |
SwapAtomsAction | aa1f2e8d-f00d-4168-8f57-24d07e132240 | mp-1076079 | Swap the spatial positions of atoms at indices 15 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr5Ca3MnFe6O23FeO
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... |
SwapAtomsAction | 2865ce3f-2560-40b9-b918-cc19d353e830 | mp-1176457 | Swap the spatial positions of atoms at indices 14 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4FMnO2F6MnF3
_chemical_formula_sum "Mn6 F10 O2"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_nam... |
SwapAtomsAction | 085429ea-a0c4-4389-a341-af640703779a | mp-733581 | Swap the spatial positions of atoms at indices 17 and 67 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_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 Pr8H8SeOSe14O35SeO12
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 3cdaf477-e1d5-4276-9d67-c26952302efb | mp-1219022 | Swap the spatial positions of atoms at indices 1 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SmTiFe11
_chemical_formula_sum "Sm1 Ti1 Fe11"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_... | data_image0
_chemical_formula_structural SmFe3TiFe8
_chemical_formula_sum "Sm1 Fe11 Ti1"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
... |
SwapAtomsAction | b3d7284e-32bf-45b5-bfc7-b76787856bdb | mp-1224278 | 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 K4PSe3O16
_chemical_formula_sum "K4 P1 Se3 O16"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... | data_image0
_chemical_formula_structural K4OSe3O6PO9
_chemical_formula_sum "K4 O16 Se3 P1"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_gro... |
SwapAtomsAction | c53f16b6-d1b6-4b3d-94a5-1db603d0b012 | mp-559350 | Swap the spatial positions of atoms at indices 25 and 58 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4S16N16Cl24
_chemical_formula_sum "Zr4 S16 N16 Cl24"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.16053803
_s... | data_image0
_chemical_formula_structural Zr4S16N5ClN10Cl22NCl
_chemical_formula_sum "Zr4 S16 N16 Cl24"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.16053... |
SwapAtomsAction | c84877f5-2f8c-44b6-88ce-091dba51f908 | mp-1407867 | Swap the spatial positions of atoms at indices 8 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural YOSn4O2YO5
_chemical_formula_sum "Y2 O8 Sn4"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.3834179... |
SwapAtomsAction | b71dbe07-ea07-4ac1-8158-e785975bc942 | mp-1246950 | Swap the spatial positions of atoms at indices 6 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC5NC3N5
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_... |
SwapAtomsAction | 92004ed1-fe22-4112-aaf4-385a2e90ff8b | mp-29756 | Swap the spatial positions of atoms at indices 14 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4B12O20
_chemical_formula_sum "Rb4 B12 O20"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_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 Rb4B10OBO12BO7
_chemical_formula_sum "Rb4 B12 O20"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 785fc896-0ac8-4cca-b6c0-180fac145bb1 | mp-510460 | 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 Cs2La2Zn2Te6
_chemical_formula_sum "Cs2 La2 Zn2 Te6"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_name_H... | data_image0
_chemical_formula_structural CsTeLa2Zn2TeCsTe4
_chemical_formula_sum "Cs2 Te6 La2 Zn2"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_n... |
SwapAtomsAction | f3984acf-6318-46bf-b719-36dc66d99cdc | mp-1030605 | Swap the spatial positions of atoms at indices 1 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo3WSe6
_chemical_formula_sum "Te2 Mo3 W1 Se6"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_n... | data_image0
_chemical_formula_structural TeSeMo3WSeTeSe4
_chemical_formula_sum "Te2 Se6 Mo3 W1"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_gr... |
SwapAtomsAction | 4b5fa9b8-298a-42fb-b17f-7088b24045a2 | mp-1227612 | Swap the spatial positions of atoms at indices 26 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La5InLa12In8LaInSe42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.01230... |
SwapAtomsAction | 56884091-90db-41b1-89b2-dc488b285cce | mp-1027965 | Swap the spatial positions of atoms at indices 0 and 12 in the cif file. The indices of atoms are started from 0. | 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 Mg12YMg2Ga
_chemical_formula_sum "Mg14 Y1 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_... |
SwapAtomsAction | 734383c0-22c8-4faf-9ff7-7091213a8472 | mp-698134 | Swap the spatial positions of atoms at indices 7 and 16 in the cif file. The indices of atoms are started from 0. | 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 K4Na3HSb4H4NaH7O6F20
_chemical_formula_sum "K4 Na4 H12 Sb4 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_gr... |
SwapAtomsAction | 7bbbcfa3-ef5f-43a4-9c5e-bb39ff703ac5 | mp-1195032 | Swap the spatial positions of atoms at indices 19 and 6 in the cif file. The indices of atoms are started from 0. | 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 Bi4Te2OTeN4O7TeO16
_chemical_formula_sum "Bi4 Te4 O24 N4"
_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-... |
SwapAtomsAction | dee19314-13b1-404e-a1b7-39090447dc4d | mp-2196 | Swap the spatial positions of atoms at indices 15 and 0 in the cif file. The indices of atoms are started from 0. | 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 SbBa5Sb9BaSb2
_chemical_formula_sum "Sb12 Ba6"
_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_... |
SwapAtomsAction | c11db1c9-aaf1-4273-b48c-78b33bf6ad45 | mp-1224477 | Swap the spatial positions of atoms at indices 3 and 18 in the cif file. The indices of atoms are started from 0. | 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 H3OH7IN2O4HO
_chemical_formula_sum "H11 O6 I1 N2"
_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_nam... |
SwapAtomsAction | 45fb4369-1104-47f5-a7bb-280d5fe66d58 | mp-2230319 | Swap the spatial positions of atoms at indices 1 and 0 in the cif file. The indices of atoms are started from 0. | 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 FeMgFe5O6F6
_chemical_formula_sum "Fe6 Mg1 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 "... |
SwapAtomsAction | 94fb5ca6-0232-46cf-80be-8e59e2a7b163 | mp-1198979 | Swap the spatial positions of atoms at indices 16 and 25 in the cif file. The indices of atoms are started from 0. | 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 K6Na10TlNa3MgTl4NaTl13
_chemical_formula_sum "K6 Na14 Tl18 Mg1"
_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_... |
SwapAtomsAction | 116facc2-6d86-4017-9602-5a52534836ba | mp-557992 | Swap the spatial positions of atoms at indices 5 and 17 in the cif file. The indices of atoms are started from 0. | 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 In4TeOTe2Cl4O5TeO6
_chemical_formula_sum "In4 Te4 O12 Cl4"
_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_a... |
SwapAtomsAction | 7dba9a6a-e80c-41a3-99b9-6f1785a742db | mp-758446 | Swap the spatial positions of atoms at indices 21 and 0 in the cif file. The indices of atoms are started from 0. | 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 OLi3V8C8OLiO30
_chemical_formula_sum "O32 Li4 V8 C8"
_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 ... |
SwapAtomsAction | be78b183-e654-4afd-8266-c6e7a6c16db1 | mp-1236280 | Swap the spatial positions of atoms at indices 0 and 12 in the cif file. The indices of atoms are started from 0. | 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 OCd4Tc4O3LiO8
_chemical_formula_sum "O12 Cd4 Tc4 Li1"
_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 89.97848791... |
SwapAtomsAction | c2fb5dda-4b68-48f9-ad9e-d279774878e8 | mp-1040917 | Swap the spatial positions of atoms at indices 15 and 25 in the cif file. The indices of atoms are started from 0. | 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 Ca4Fe8P3OP4O5PO26
_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
... |
SwapAtomsAction | 8c53c2ed-c8d0-4352-90b3-538d41a1805f | mp-1180897 | Swap the spatial positions of atoms at indices 2 and 1 in the cif file. The indices of atoms are started from 0. | 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 KPdKN2Cl2O4
_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_... |
SwapAtomsAction | a8ed8106-601d-45e1-8f17-91378a06e9bb | mp-1290409 | 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 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 LiOLi6Mn6Sb2O5LiO10
_chemical_formula_sum "Li8 O16 Mn6 Sb2"
_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... |
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