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 |
|---|---|---|---|---|---|
MoveAroundAtomAction | 4aaa8620-d623-4473-a639-e66ae01a828f | mp-630927 | Move all surrounding atoms within 3.48 angstrom around the center atom at index 1 by [-1.777 -2.098 0.278] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveAroundAtomAction | 4b2466dc-8a9e-41fe-b0d8-5a384423c0c3 | mp-1213780 | Move all surrounding atoms within 3.464 angstrom around the center atom at index 15 by [ 3.324 2.794 -0.363] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveAroundAtomAction | f651e6b9-0706-4b3a-a593-d4e77ce24fd3 | mp-2223637 | Move all surrounding atoms within 2.882 angstrom around the center atom at index 9 by [ 2.125 -1.347 -1.891] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... |
MoveAroundAtomAction | fa7ca3f9-f560-4364-93c1-a310c115f7c0 | mp-2232781 | Move all surrounding atoms within 3.409 angstrom around the center atom at index 6 by [ 2.602 -1.059 3.004] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... |
MoveAroundAtomAction | cb30f0c1-00ac-4658-8192-7c9f4b58d5fd | mp-31070 | Move all surrounding atoms within 2.946 angstrom around the center atom at index 7 by [ 2.051 -0.776 1.615] angstrom in the cif file. | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 8ea4f522-1afc-4b19-9fc8-3e7020913731 | mp-1246779 | Move all surrounding atoms within 3.035 angstrom around the center atom at index 3 by [ 0.785 -3.292 -3.931] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
MoveAroundAtomAction | 44afc647-68ad-4f51-9972-69c302d9d952 | mp-22642 | Move all surrounding atoms within 3.737 angstrom around the center atom at index 11 by [ 0.006 -2.89 -2.23 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAroundAtomAction | e3dd1ede-e3f8-41f8-b5a4-93a8d7464a80 | mp-1211929 | Move all surrounding atoms within 1.894 angstrom around the center atom at index 30 by [-0.862 -1.547 0.812] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 09962fb3-1d0e-421e-ad87-0e98c501996a | mp-1223393 | Move all surrounding atoms within 2.008 angstrom around the center atom at index 4 by [ 1.224 -3.728 -4.282] angstrom in the cif file. | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... |
MoveAroundAtomAction | 3fb0a0ba-cfdf-4cf3-8dd0-9f01a490f68c | mp-1276118 | Move all surrounding atoms within 3.816 angstrom around the center atom at index 8 by [-2.972 -0.898 -1.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... |
MoveAroundAtomAction | 552cf8eb-fac8-4a20-bc18-834d2a0d0f5f | mp-2218909 | Move all surrounding atoms within 2.723 angstrom around the center atom at index 0 by [ 0.579 0.334 -0.871] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... |
MoveAroundAtomAction | b1c4557c-2138-4ce7-9531-c96695770cf8 | mp-1043960 | Move all surrounding atoms within 2.232 angstrom around the center atom at index 34 by [4.32 2.567 2.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 98bd3ebe-3a89-4637-a764-b53f6c4e331d | mp-22781 | Move all surrounding atoms within 3.249 angstrom around the center atom at index 17 by [ 1.367 0.403 -1.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... |
MoveAroundAtomAction | a59ecb2b-31f7-4e60-b2a7-6641d4c4afa3 | mp-608777 | Move all surrounding atoms within 3.84 angstrom around the center atom at index 9 by [ 2.146 3.389 -3.107] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... |
MoveAroundAtomAction | 5868a724-176b-44c9-8b94-76ac9d50361e | mp-2232162 | Move all surrounding atoms within 3.365 angstrom around the center atom at index 3 by [-1.143 1.476 2.177] angstrom in the cif file. | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 3bd64165-d2ab-436a-8e75-1a41fba66f09 | mp-760360 | Move all surrounding atoms within 3.547 angstrom around the center atom at index 12 by [-1.073 -2.228 -0.137] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | 8f513d50-f4f1-4f44-a41a-5f3f4b64a324 | mp-1211110 | Move all surrounding atoms within 2.77 angstrom around the center atom at index 11 by [ 0.206 -2.995 1.622] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_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 Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAroundAtomAction | 83bdacdb-7a91-422a-902e-05c2911b2483 | mp-1653728 | Move all surrounding atoms within 2.759 angstrom around the center atom at index 14 by [-1.606 -0.043 -1.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... |
MoveAroundAtomAction | 1d887979-bc7f-40e8-a467-2b0dd175901e | mp-1189578 | Move all surrounding atoms within 3.562 angstrom around the center atom at index 14 by [ 3.961 -0.189 1.652] angstrom in the cif file. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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_... |
MoveAroundAtomAction | 921688f5-90f6-4da8-8801-1c31c89101aa | mp-30447 | Move all surrounding atoms within 3.427 angstrom around the center atom at index 39 by [-0.232 -0.58 2.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
MoveAroundAtomAction | 33a7a739-75c0-47cf-8ffe-71526fda0ae6 | mp-1027824 | Move all surrounding atoms within 3.781 angstrom around the center atom at index 4 by [ 1.85 -0.663 -2.548] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | f2cb46e4-6cce-47c5-b4f9-892df8e2027a | mp-1028163 | Move all surrounding atoms within 3.783 angstrom around the center atom at index 10 by [-0.394 1.947 -1.802] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... |
MoveAroundAtomAction | 103707e3-ff8d-49cb-a1b7-4549531cb713 | mp-1105882 | Move all surrounding atoms within 2.973 angstrom around the center atom at index 13 by [0.527 2.132 1.78 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... |
MoveAroundAtomAction | 9d766e57-ad54-480c-ba8f-917f2ccf23c5 | mp-1217155 | Move all surrounding atoms within 3.424 angstrom around the center atom at index 9 by [-2.303 -0.562 0.838] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAroundAtomAction | 5c37e24f-85ba-4322-85c7-a534ea2df38b | mp-1195727 | Move all surrounding atoms within 3.006 angstrom around the center atom at index 35 by [ 2.062 2.25 -0.098] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | accfd0c0-15d3-450c-902c-364c71a85d41 | mp-9107 | Move all surrounding atoms within 2.686 angstrom around the center atom at index 3 by [ 0.547 -1.081 -2.424] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... |
MoveAroundAtomAction | f74fc57c-a262-4bcd-b4c6-cbd7713fa5b9 | mp-1212178 | Move all surrounding atoms within 2.793 angstrom around the center atom at index 21 by [-3.239 0.313 -2.846] angstrom in the cif file. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | 7ad7279e-fa7f-4769-a257-c8adb47f6298 | mp-17822 | Move all surrounding atoms within 3.436 angstrom around the center atom at index 4 by [-0.546 -3.796 0.263] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... |
MoveAroundAtomAction | 8a59d0e5-0aa2-4b54-b1af-4865bd689883 | mp-1181187 | Move all surrounding atoms within 3.42 angstrom around the center atom at index 1 by [0.931 0.86 0.196] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | 3517bbfd-d8db-4c27-8af9-af9353ec8403 | mp-17461 | Move all surrounding atoms within 2.575 angstrom around the center atom at index 41 by [1.791 0.756 0.284] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 74e18456-4505-4b88-b490-991c2ecce9b9 | mp-1213024 | Move all surrounding atoms within 3.225 angstrom around the center atom at index 4 by [ 0.6 -0.509 -2.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... |
MoveAroundAtomAction | 9e02108e-569d-434c-b569-675696ae0d14 | mp-1376216 | Move all surrounding atoms within 3.395 angstrom around the center atom at index 19 by [-3.966 -0.306 0.708] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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... |
MoveAroundAtomAction | 8b25a17d-44f8-4ed7-89f1-097fe54d42db | mp-1239174 | Move all surrounding atoms within 3.459 angstrom around the center atom at index 14 by [ 0.948 4.113 -4.575] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveAroundAtomAction | d617928a-5d7c-4c7c-be40-6d6746fb1a29 | mp-1046918 | Move all surrounding atoms within 2.137 angstrom around the center atom at index 9 by [ 0.604 -0.529 -0.149] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... |
MoveAroundAtomAction | 3a8e5322-85d6-4225-b902-3e00a9386631 | mp-1179245 | Move all surrounding atoms within 2.654 angstrom around the center atom at index 9 by [-0.149 0.665 -0.223] angstrom in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... |
MoveAroundAtomAction | 3014fcde-ef0a-46dc-a237-1eeae154fbd8 | mp-1227202 | Move all surrounding atoms within 2.763 angstrom around the center atom at index 5 by [-3.766 3.771 -1.348] angstrom in the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... |
MoveAroundAtomAction | 512b8185-0a36-4a16-bfe8-40deebd9d9e1 | mp-1194797 | Move all surrounding atoms within 3.629 angstrom around the center atom at index 37 by [ 0.162 -2.457 -2.018] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... |
MoveAroundAtomAction | bdef00dc-f97a-4676-94da-5060f7f53bd9 | mp-755879 | Move all surrounding atoms within 3.39 angstrom around the center atom at index 20 by [-1.399 -0.342 -0.839] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... |
MoveAroundAtomAction | 7b22bcc7-81bf-48a7-95fe-b4d8a1f41b22 | mp-1225642 | Move all surrounding atoms within 3.636 angstrom around the center atom at index 7 by [ 2.614 0.548 -1.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... |
MoveAroundAtomAction | 33b014c7-585c-4445-bc23-a11200a402d2 | mp-1224446 | Move all surrounding atoms within 3.845 angstrom around the center atom at index 6 by [ 2.51 1.023 -1.598] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... |
MoveAroundAtomAction | 91b472d1-2db1-48be-9ef1-22299eecec30 | mp-1111469 | Move all surrounding atoms within 3.8 angstrom around the center atom at index 2 by [-1.165 5.187 1.597] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveAroundAtomAction | cc9dd942-5d75-4272-8a5b-9a39386e995a | mp-34578 | Move all surrounding atoms within 2.344 angstrom around the center atom at index 28 by [ 1.512 -3.86 1.766] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... |
MoveAroundAtomAction | e96914e8-9700-4735-ab32-038c0432bb5e | mp-1224145 | Move all surrounding atoms within 2.297 angstrom around the center atom at index 26 by [-0.494 1.501 -2.146] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 73105ec1-b64f-4901-a3ad-d4b8c990e2f1 | mp-2715503 | Move all surrounding atoms within 2.986 angstrom around the center atom at index 36 by [-3.578 -0.157 -1.551] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
MoveAroundAtomAction | 93c6e2f2-2c90-43f1-85dd-b638aa408c89 | mp-1182686 | Move all surrounding atoms within 3.229 angstrom around the center atom at index 68 by [ 0.047 -1.825 5.55 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... |
MoveAroundAtomAction | 0a4bc49b-bf84-47e4-b38d-ab9bf4d43cb1 | mp-558595 | Move all surrounding atoms within 2.787 angstrom around the center atom at index 13 by [ 1.548 -4.529 -0.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... |
MoveAroundAtomAction | 5bba41a2-9b3f-4db7-ac52-51c93338b43c | mp-2241183 | Move all surrounding atoms within 3.398 angstrom around the center atom at index 14 by [-2.955 0.32 1.93 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... |
MoveAroundAtomAction | e4e14040-79b4-41c0-9d34-bc90313f4e67 | mp-1193000 | Move all surrounding atoms within 3.262 angstrom around the center atom at index 14 by [1.994 0.605 3.946] angstrom in the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... |
MoveAroundAtomAction | 590521a3-9fc2-467c-b787-81a948936b7b | mp-5626 | Move all surrounding atoms within 3.736 angstrom around the center atom at index 7 by [ 2.099 -1.57 -0.013] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | 7d07ac4f-bb5f-42db-b176-1ef123a8c51b | mp-767632 | Move all surrounding atoms within 2.836 angstrom around the center atom at index 3 by [-3.101 0.034 1.37 ] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
MoveAroundAtomAction | 5c2e46c6-d754-4628-ba38-8751a10af2b4 | mp-558805 | Move all surrounding atoms within 2.746 angstrom around the center atom at index 35 by [-0.084 0.662 0.354] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 13ae38ef-69ca-44c3-87f7-8864f9feb7b4 | mp-1212178 | Move all surrounding atoms within 2.477 angstrom around the center atom at index 88 by [ 1.6 -4.776 -3.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | 87ef0e8b-d2e4-4092-8f27-f76b0f714f00 | mp-1245513 | Move all surrounding atoms within 3.271 angstrom around the center atom at index 25 by [-0.806 -0.461 2.204] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAroundAtomAction | 431bc2e6-5c5f-41ad-b7eb-03780af3f9c4 | mp-771733 | Move all surrounding atoms within 3.782 angstrom around the center atom at index 26 by [ 0.473 4.267 -3.302] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... |
MoveAroundAtomAction | cc7c6b7e-8540-47d3-b910-83602dcb689d | mp-557497 | Move all surrounding atoms within 2.433 angstrom around the center atom at index 39 by [-1.788 2.648 -4.948] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 85aefe6e-1e93-4409-86d9-1bf90e0315b4 | mp-1175308 | Move all surrounding atoms within 3.805 angstrom around the center atom at index 46 by [-0.835 -0.898 -0.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... |
MoveAroundAtomAction | f938cbda-7add-4fd1-b136-ce329cca4ea6 | mp-29802 | Move all surrounding atoms within 3.651 angstrom around the center atom at index 21 by [0.321 2.149 1.977] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... |
MoveAroundAtomAction | de30b0c5-fcd8-4c3e-920c-23c4dcf2d066 | mp-766361 | Move all surrounding atoms within 2.903 angstrom around the center atom at index 54 by [-1.844 1.287 0.997] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... |
MoveAroundAtomAction | 4a205a9f-483f-4025-a278-e2e36e5c97ec | mp-867658 | Move all surrounding atoms within 3.746 angstrom around the center atom at index 49 by [-5.61 1.648 3.342] angstrom in the cif file. | 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 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... |
MoveAroundAtomAction | 97c1b785-1819-4348-92a9-348d74ada1de | mp-759150 | Move all surrounding atoms within 3.411 angstrom around the center atom at index 13 by [-3.029 1.724 0.7 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... |
MoveAroundAtomAction | ebb31c25-a45d-408a-bff9-635797e82199 | mp-1931800 | Move all surrounding atoms within 3.491 angstrom around the center atom at index 0 by [-1.668 0.772 -1.82 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... |
MoveAroundAtomAction | 9c612fad-728b-40e3-91cb-5b9dc2d1bfcc | mp-770874 | Move all surrounding atoms within 1.923 angstrom around the center atom at index 45 by [-1.667 -0.008 0.382] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
MoveAroundAtomAction | 4f609455-3d4f-47de-9064-5f1d1d49ddcb | mp-766445 | Move all surrounding atoms within 3.931 angstrom around the center atom at index 1 by [ 1.054 1.688 -0.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... |
MoveAroundAtomAction | d6115f2f-064e-4bac-a3fb-48a3b44c2621 | mp-695305 | Move all surrounding atoms within 1.811 angstrom around the center atom at index 60 by [ 4.318 -2.907 1.211] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... |
MoveAroundAtomAction | cf9c2a5b-bf99-4759-bdfd-8fb98ddf4863 | mp-989647 | Move all surrounding atoms within 2.483 angstrom around the center atom at index 8 by [-0.913 1.301 -1.115] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAroundAtomAction | 8a9f8897-6d32-4fe2-b9b0-b719edd917b9 | mp-27382 | Move all surrounding atoms within 3.079 angstrom around the center atom at index 5 by [ 2.938 -3.289 -0.929] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | c78fda8c-e38f-400f-9c80-8d7c45a350bc | mp-558603 | Move all surrounding atoms within 3.699 angstrom around the center atom at index 11 by [-4.214 -2.302 -2.983] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... |
MoveAroundAtomAction | 82c0dd2e-572d-4125-b4dd-995b325d23b6 | mp-29075 | Move all surrounding atoms within 2.931 angstrom around the center atom at index 0 by [-1.169 1.451 -0.282] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
MoveAroundAtomAction | 4817cd53-5d91-4066-8d9c-87a2b85b4b94 | mp-2228762 | Move all surrounding atoms within 3.373 angstrom around the center atom at index 2 by [-2.328 0.375 -2.103] angstrom in the cif file. | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... |
MoveAroundAtomAction | f96dba37-6419-46b8-af0f-028b403877e8 | mp-1207958 | Move all surrounding atoms within 3.441 angstrom around the center atom at index 10 by [ 4.94 -0.58 -2.992] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 7d9959f4-dfcb-420d-a842-17e08d5d44b3 | mp-1206107 | Move all surrounding atoms within 3.555 angstrom around the center atom at index 9 by [2.485 0.153 0.951] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | ec350201-5ec8-4570-8c3c-ea88c17ceebc | mp-28179 | Move all surrounding atoms within 2.971 angstrom around the center atom at index 16 by [ 0.878 -0.929 -1.215] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | ee5eb7e3-99ec-40fb-84b7-8583d25c1294 | mp-1248873 | Move all surrounding atoms within 2.198 angstrom around the center atom at index 12 by [2.659 2.658 1.981] angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... |
MoveAroundAtomAction | 735f28cb-d0e1-4e23-96fa-7c18d51ec759 | mp-1021689 | Move all surrounding atoms within 3.124 angstrom around the center atom at index 10 by [0.533 0.581 4.389] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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... |
MoveAroundAtomAction | fe6973c0-fdda-4d3a-8902-5e8cbafd552d | mp-1196042 | Move all surrounding atoms within 2.722 angstrom around the center atom at index 40 by [-3.324 2.872 1.503] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
MoveAroundAtomAction | 212e516e-1e65-4f1b-aaf8-f75b417ce212 | mp-1096432 | Move all surrounding atoms within 2.997 angstrom around the center atom at index 47 by [0.698 1.809 2.521] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... |
MoveAroundAtomAction | b2beb6dd-5a24-454a-b2ef-b933003219c7 | mp-3653 | Move all surrounding atoms within 3.149 angstrom around the center atom at index 14 by [-0.074 -1.904 -2.902] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | e3c0fa9b-a921-4589-b021-42f361b14c26 | mp-1220551 | Move all surrounding atoms within 2.547 angstrom around the center atom at index 21 by [ 1.955 -4.956 0.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... |
MoveAroundAtomAction | 05faca68-c5fb-42b2-8a16-64f1260077d0 | mp-1246932 | Move all surrounding atoms within 2.875 angstrom around the center atom at index 22 by [ 0.456 -2.234 -1.562] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAroundAtomAction | 282275e4-065d-4633-b832-e62af38f47f5 | mp-1225659 | Move all surrounding atoms within 3.702 angstrom around the center atom at index 2 by [ 1.861 2.141 -3.242] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 58af035e-b8b9-40eb-9bfa-2fbcee3984ad | mp-1227615 | Move all surrounding atoms within 2.804 angstrom around the center atom at index 5 by [ 0.718 1.148 -0.617] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... |
MoveAroundAtomAction | 0591add4-67f4-4ac9-a228-8f4c99a670b4 | mp-554918 | Move all surrounding atoms within 3.472 angstrom around the center atom at index 39 by [-0.313 -2.028 -1.256] angstrom in the cif file. | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... |
MoveAroundAtomAction | 99a97968-3f0a-4ac8-8099-eeb98a9c45f6 | mp-17691 | Move all surrounding atoms within 3.215 angstrom around the center atom at index 8 by [-2.012 0.236 0.233] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAroundAtomAction | 8a70c18b-496b-41df-afb5-9239b5d4733b | mp-621667 | Move all surrounding atoms within 3.143 angstrom around the center atom at index 7 by [-3.713 -0.734 2.406] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAroundAtomAction | db893b1d-0c03-4804-a7c1-d827c1cd52c1 | mp-1019788 | Move all surrounding atoms within 3.788 angstrom around the center atom at index 17 by [2.828 0.048 2.253] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAroundAtomAction | b525497b-62a7-4b67-9fbe-38b5e7b7edbf | mp-767632 | Move all surrounding atoms within 3.697 angstrom around the center atom at index 3 by [-2.292 -1.228 -0.555] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
MoveAroundAtomAction | b307170e-de0e-4cc2-ad60-f2d57d626ed5 | mp-757805 | Move all surrounding atoms within 1.803 angstrom around the center atom at index 15 by [ 5.709 -2.167 1.623] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 3cfed992-00ae-455c-a735-8da24d0c635c | mp-765591 | Move all surrounding atoms within 3.461 angstrom around the center atom at index 13 by [-0.258 -1.441 -2.203] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4P4O16
_chemical_formula_sum "Li4 Fe4 P4 O16"
_cell_length_a 5.05822604
_cell_length_b 8.24699336
_cell_length_c 9.06029745
_cell_angle_alpha 89.96633369
_cell_angle_beta 90.01279964
_cell_angle_gamma 89.99466227
_space_group_... |
MoveAroundAtomAction | 9e0632ba-de14-4996-b097-a816f37038c9 | mp-571242 | Move all surrounding atoms within 2.51 angstrom around the center atom at index 26 by [-1.743 2.636 -1.099] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveAroundAtomAction | ee87010c-a83d-4881-9cc6-aa00e7574ea6 | mp-1202898 | Move all surrounding atoms within 2.075 angstrom around the center atom at index 36 by [ 2.807 -0.838 0.806] angstrom in the cif file. | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... | data_image0
_chemical_formula_structural In4As8N4O28
_chemical_formula_sum "In4 As8 N4 O28"
_cell_length_a 7.972815
_cell_length_b 8.74179331
_cell_length_c 10.948333010000002
_cell_angle_alpha 87.01058685000001
_cell_angle_beta 85.01541869
_cell_angle_gamma 73.74469812
_... |
MoveAroundAtomAction | 1314975d-62d2-4582-9c56-b21877e4fe80 | mp-1098369 | Move all surrounding atoms within 3.21 angstrom around the center atom at index 60 by [-0.809 -0.902 0.671] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | 8fbadd09-9113-4a1c-8890-87c47fded786 | mp-756331 | Move all surrounding atoms within 3.823 angstrom around the center atom at index 7 by [-3.973 0.113 2.568] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... | data_image0
_chemical_formula_structural Li4Ti3Co5O16
_chemical_formula_sum "Li4 Ti3 Co5 O16"
_cell_length_a 5.72685104
_cell_length_b 5.726851039999999
_cell_length_c 9.31004518
_cell_angle_alpha 89.68678152000001
_cell_angle_beta 89.68678152000001
_cell_angle_gamma 60.89... |
MoveAroundAtomAction | 7c9cf01c-3273-489f-927e-a2bfe964a1c6 | mp-1225219 | Move all surrounding atoms within 2.738 angstrom around the center atom at index 11 by [-1.557 -3.773 -1.508] angstrom in the cif file. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 61d1dea9-926a-43aa-842e-0535fe1b6c84 | mp-753611 | Move all surrounding atoms within 2.149 angstrom around the center atom at index 1 by [-1.653 -0.924 1.029] angstrom in the cif file. | data_image0
_chemical_formula_structural P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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 P4Cl12O4
_chemical_formula_sum "P4 Cl12 O4"
_cell_length_a 5.969239
_cell_length_b 9.504725
_cell_length_c 12.104269
_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... |
MoveAroundAtomAction | 4eca0572-d58d-4c78-a68c-1fa996909b3c | mp-567566 | Move all surrounding atoms within 3.017 angstrom around the center atom at index 2 by [ 1.961 -2.653 -2.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... |
MoveAroundAtomAction | 826cb843-10d1-4fb2-aab9-60aade81b057 | mp-28198 | Move all surrounding atoms within 3.468 angstrom around the center atom at index 9 by [ 2.619 1.633 -0.52 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... | data_image0
_chemical_formula_structural Rb6In6I24
_chemical_formula_sum "Rb6 In6 I24"
_cell_length_a 14.75622459
_cell_length_b 14.75622459
_cell_length_c 14.75622438
_cell_angle_alpha 115.16539673
_cell_angle_beta 115.16539673
_cell_angle_gamma 115.16540856
_space_group... |
MoveAroundAtomAction | 616b1847-3679-4cbe-a53f-74543346c19a | mp-758495 | Move all surrounding atoms within 2.591 angstrom around the center atom at index 37 by [ 3.86 -2.172 -1.535] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 57082c1d-edc7-46cd-ac5c-e7186d070022 | mp-22703 | Move all surrounding atoms within 3.426 angstrom around the center atom at index 14 by [0.429 3.909 0.449] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_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 Ni16Ge4B6
_chemical_formula_sum "Ni16 Ge4 B6"
_cell_length_a 2.9315389
_cell_length_b 6.01224193
_cell_length_c 14.5180414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAroundAtomAction | 066d6f70-ab92-4036-8fb9-fd9b83909713 | mp-27413 | Move all surrounding atoms within 3.173 angstrom around the center atom at index 4 by [-3.825 -1.624 -0.043] angstrom in the cif file. | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mo8P5
_chemical_formula_sum "Mo8 P5"
_cell_length_a 3.20104694
_cell_length_b 6.54649934
_cell_length_c 9.411014490000001
_cell_angle_alpha 109.52020593
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | f41634f9-131b-477c-bb6c-af848928a400 | mp-11639 | Move all surrounding atoms within 2.494 angstrom around the center atom at index 7 by [ 1.178 0.5 -3.179] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... |
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