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 |
|---|---|---|---|---|---|
MoveTowardsAtomAction | c25f59ed-5cd6-49b4-a7f1-3d0b89a65004 | mp-1185821 | Move the atom at index 21 towards the atom at index 7 by 1.194 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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... |
MoveTowardsAtomAction | a91cf833-7650-42a7-90ea-a7d86821defd | mp-777622 | Move the atom at index 18 towards the atom at index 16 by 1.35 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... |
MoveTowardsAtomAction | f9c230b9-4d86-42d2-90b4-cfe80bbd4fd1 | mp-758495 | Move the atom at index 8 towards the atom at index 5 by 0.194 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 "... |
MoveTowardsAtomAction | 59518c1f-0539-4bf4-9fe4-02088e800b49 | mp-1026788 | Move the atom at index 14 towards the atom at index 7 by 0.4 angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | a33875bf-b520-4e17-9a95-97e0e80aa708 | mp-1193800 | Move the atom at index 0 towards the atom at index 22 by 2.539 angstrom in the cif file. | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 2f220a4d-5a10-4007-afb8-c20a9a187bd1 | mp-1227353 | Move the atom at index 4 towards the atom at index 3 by 0.637 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | bcf43bff-0648-49c3-bca4-d302a3b8f543 | mp-752785 | Move the atom at index 23 towards the atom at index 4 by 2.586 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... |
MoveTowardsAtomAction | 3fe138bf-9ab2-4210-9046-41a74587c757 | mp-754915 | Move the atom at index 3 towards the atom at index 5 by 2.84 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... |
MoveTowardsAtomAction | f92ed5fd-056f-459a-9d7f-7fcf870c964f | mp-1218036 | Move the atom at index 11 towards the atom at index 19 by 1.938 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... |
MoveTowardsAtomAction | 1dd0cdcc-996a-4dd0-b6e6-c24a021facdc | mp-686085 | Move the atom at index 34 towards the atom at index 14 by 1.304 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 4bc4f26e-1414-4df9-8576-492c816815c1 | mp-14734 | Move the atom at index 14 towards the atom at index 6 by 2.237 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | d8806905-b832-4bc9-8b8d-5e61fd629d78 | mp-755663 | Move the atom at index 14 towards the atom at index 5 by 1.185 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 977dbae0-9b5e-453b-a8cf-cacd7ebd0845 | mp-21683 | Move the atom at index 19 towards the atom at index 28 by 2.934 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 03c2d71a-67cf-4c4d-aac4-d4dc8e6fd546 | mp-1196179 | Move the atom at index 18 towards the atom at index 50 by 2.654 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | 00b2df49-9c71-4505-b970-b27fe9ad2d86 | mp-1221008 | Move the atom at index 3 towards the atom at index 62 by 2.449 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 4ebda033-9886-41dc-8e89-5da137d6a6f6 | mp-1182799 | Move the atom at index 1 towards the atom at index 23 by 0.464 angstrom in the cif file. | 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 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
... |
MoveTowardsAtomAction | c4a34358-b647-4776-b17b-b1ef3a74062b | mp-1027815 | Move the atom at index 15 towards the atom at index 5 by 1.271 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | 2f43b05f-b13f-4572-8b82-7165d600f728 | mp-8762 | Move the atom at index 15 towards the atom at index 14 by 1.442 angstrom in the cif file. | 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 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"
_... |
MoveTowardsAtomAction | 8ab0a486-0731-4d61-b5c1-7e63b36f9dbe | mp-1188640 | Move the atom at index 10 towards the atom at index 14 by 2.894 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 1e7dfb60-59e9-4ca6-8b54-d31c09f5d2c1 | mp-887412 | Move the atom at index 22 towards the atom at index 3 by 1.054 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | cdf93d00-8d08-49b9-841e-abefcec9e491 | mp-1199467 | Move the atom at index 30 towards the atom at index 23 by 0.657 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | f887de02-6b5f-45e5-9570-18cf0380f6a0 | mp-973966 | Move the atom at index 12 towards the atom at index 1 by 0.171 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 5fe30cb7-451c-4d25-b774-39ed621a0893 | mp-1032871 | Move the atom at index 14 towards the atom at index 2 by 0.917 angstrom in the cif file. | 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 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"
_... |
MoveTowardsAtomAction | 3f37a4f9-a1ab-4e5c-b6ee-ca0891ad3dc9 | mp-2215839 | Move the atom at index 4 towards the atom at index 3 by 2.224 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 3101c55d-8938-4cdf-8887-594eb26e8e2f | mp-763659 | Move the atom at index 6 towards the atom at index 7 by 1.64 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | dfe14654-1cca-4bf1-a247-7a54e2e98411 | mp-1227077 | Move the atom at index 12 towards the atom at index 46 by 0.367 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 3a121e17-5c60-4a2e-b16e-5f881335698c | mp-1229311 | Move the atom at index 82 towards the atom at index 11 by 2.741 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | 128572fc-acf6-4a43-9ca8-6a176eeee86b | mp-1173734 | Move the atom at index 8 towards the atom at index 27 by 2.417 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | d18d2d29-da2b-4c1a-bb05-2446de094273 | mp-1182238 | Move the atom at index 20 towards the atom at index 19 by 1.113 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 239ac547-b3db-44b4-93fe-475cee4f3700 | mp-15539 | Move the atom at index 9 towards the atom at index 0 by 1.073 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | cd1cc180-55fe-4bc6-9aad-a75f62df1a23 | mp-5996 | Move the atom at index 39 towards the atom at index 52 by 1.322 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | dffdf0e5-4d23-4860-8ee0-6d16ff208515 | mp-510 | Move the atom at index 35 towards the atom at index 37 by 0.678 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | afc88de2-5f42-4ac9-806b-9745031bd229 | mp-1200475 | Move the atom at index 0 towards the atom at index 26 by 0.765 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 3e9a856a-5a8b-4215-81bf-5c4f6c02741c | mp-1103787 | Move the atom at index 10 towards the atom at index 6 by 2.745 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | ecc0b8a1-7526-43de-ae12-20ced8f66896 | mp-1110608 | Move the atom at index 1 towards the atom at index 6 by 1.607 angstrom in the cif file. | 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 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
... |
MoveTowardsAtomAction | de7ed693-7016-47a7-951a-a464f3d6669f | mp-1026829 | Move the atom at index 13 towards the atom at index 15 by 1.39 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 8177de7c-738a-4bc0-b9a5-46472a9d60e7 | mp-21787 | Move the atom at index 21 towards the atom at index 41 by 2.308 angstrom in the cif file. | 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 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"
... |
MoveTowardsAtomAction | 1c5cdbf6-7bba-43ca-96ed-169d13c4c4d8 | mp-1233843 | Move the atom at index 2 towards the atom at index 8 by 0.96 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | 10ba006a-c932-4a8f-a41b-cb656f65e90c | mp-1192109 | Move the atom at index 13 towards the atom at index 0 by 1.764 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 449cde7c-db4c-4bc0-bf64-d18619f0ac15 | mp-18245 | Move the atom at index 10 towards the atom at index 22 by 1.202 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural 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... |
MoveTowardsAtomAction | 3ee90bc1-207d-4952-b481-591ae125857f | mp-1191086 | Move the atom at index 5 towards the atom at index 18 by 1.906 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 9f20b00b-a5f2-4742-8ce7-2b105cff0fc7 | mp-758497 | Move the atom at index 14 towards the atom at index 17 by 2.066 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | f62226ea-000c-4626-a678-0405c9c270ba | mp-1102486 | Move the atom at index 8 towards the atom at index 9 by 0.748 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural 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_... |
MoveTowardsAtomAction | 67a8eb1b-36c6-4e03-8dd7-ba7e4d80c9be | mp-676501 | Move the atom at index 33 towards the atom at index 40 by 0.634 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | f73a6196-da33-43c4-abbb-b4731aa9359f | mp-850998 | Move the atom at index 10 towards the atom at index 32 by 1.791 angstrom in the cif file. | 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 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
_... |
MoveTowardsAtomAction | 91ca265b-1ef4-4bf5-a092-d2d1f5ab2902 | mp-531661 | Move the atom at index 49 towards the atom at index 53 by 1.108 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | fb827668-0f6c-4a14-9370-c7c7393e759d | mp-777349 | Move the atom at index 8 towards the atom at index 2 by 2.473 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | d5597f27-b6f9-4ff0-bd89-1f06cb0ffe45 | mp-25275 | Move the atom at index 7 towards the atom at index 8 by 0.866 angstrom in the cif file. | 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 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-... |
MoveTowardsAtomAction | 194a235b-871a-413a-abae-f4961d7f4019 | mp-38347 | Move the atom at index 20 towards the atom at index 12 by 0.828 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 48d54b0c-00a1-423c-8420-9cc00118368b | mp-1027965 | Move the atom at index 4 towards the atom at index 0 by 0.527 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural 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... |
MoveTowardsAtomAction | 2f627aa1-d15c-44f0-9ae0-62c37957fd7f | mp-1045861 | Move the atom at index 16 towards the atom at index 8 by 2.271 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 12bf876b-9f43-4024-87bd-b9a3e13f3dbe | mp-1175749 | Move the atom at index 6 towards the atom at index 24 by 0.924 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 70112385-238d-4021-b449-eee27a09a0cd | mp-1229052 | Move the atom at index 11 towards the atom at index 31 by 2.538 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | b5077797-5f2c-4076-af3f-bf861c5d8b5f | mp-1174080 | Move the atom at index 0 towards the atom at index 8 by 1.539 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 0a9d07e7-1b7e-439e-9235-0abd3afb200d | mp-1030101 | Move the atom at index 6 towards the atom at index 1 by 1.92 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | 43bbb56f-307d-44b8-99c1-0a6e8f9a2226 | mp-1194859 | Move the atom at index 14 towards the atom at index 43 by 2.898 angstrom in the cif file. | 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 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 "... |
MoveTowardsAtomAction | a074db3d-7839-4b84-8c4c-dbaf7e48a551 | mp-18561 | Move the atom at index 5 towards the atom at index 14 by 0.299 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | a98ccaa8-bc3b-47af-80ce-9b57a6047ac2 | mp-1208667 | Move the atom at index 3 towards the atom at index 2 by 2.259 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | a5483801-9c15-4511-86dd-cc7444aa877c | mp-774827 | Move the atom at index 9 towards the atom at index 15 by 2.492 angstrom in the cif file. | 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 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
... |
MoveTowardsAtomAction | ab7e5489-1d48-4283-a877-2fdd043754cc | mp-757418 | Move the atom at index 5 towards the atom at index 40 by 1.144 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 4fdad001-d7dd-4c81-a1d8-efe61772ec38 | mp-1213886 | Move the atom at index 6 towards the atom at index 12 by 2.417 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | d039c785-32ca-44af-9be6-131fb1e5b6d2 | mp-1027998 | Move the atom at index 4 towards the atom at index 13 by 2.573 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 6e1a0456-c219-4fe9-9ff1-5e2933ce34bf | mp-1209256 | Move the atom at index 12 towards the atom at index 6 by 1.575 angstrom in the cif file. | 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 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"
... |
MoveTowardsAtomAction | 4bf8f691-7ac6-4e86-88fa-b716c17c4304 | mp-1023289 | Move the atom at index 13 towards the atom at index 8 by 0.371 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 8f77f0b4-9780-45b5-a45f-e307a81a10a9 | mp-1029743 | Move the atom at index 21 towards the atom at index 37 by 2.343 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 23c86aad-d0ea-4656-bcdf-fa5073b9f97b | mp-796259 | Move the atom at index 11 towards the atom at index 3 by 2.55 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 5cf66ed5-a9c5-4739-a51d-4a5e79643a52 | mp-2747986 | Move the atom at index 2 towards the atom at index 0 by 2.721 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 8c0e570c-1c4c-459b-928c-6b37242e743d | mp-779526 | Move the atom at index 5 towards the atom at index 15 by 1.214 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 4ff81f25-48e4-42bf-a9a4-a379a0b37b1c | mp-35143 | Move the atom at index 4 towards the atom at index 1 by 0.672 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | 90bfb918-c8b9-416f-bc19-fd8b914bf267 | mp-758815 | Move the atom at index 41 towards the atom at index 56 by 1.134 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | 3b9ab43e-dae8-4a32-8255-85bd288e2784 | mp-1178619 | Move the atom at index 39 towards the atom at index 8 by 0.873 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 8928de9a-f6f8-4957-bb22-d44a352b5373 | mp-780315 | Move the atom at index 6 towards the atom at index 15 by 0.599 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 70b1a146-9ad0-49fb-8eb1-64dcaa017cdd | mp-780431 | Move the atom at index 73 towards the atom at index 67 by 0.891 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | c6d3ada1-00d5-4283-81f6-3263b9d39d2e | mp-850188 | Move the atom at index 4 towards the atom at index 12 by 1.51 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 13809b0a-2119-4fd1-8939-a38aba9a8a59 | mp-699403 | Move the atom at index 23 towards the atom at index 25 by 0.49 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | c5c71ca0-abcd-4cce-a16a-47cb9e575d1f | mp-559738 | Move the atom at index 58 towards the atom at index 43 by 0.352 angstrom in the cif file. | 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 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
_... |
MoveTowardsAtomAction | 045873ed-a15f-46e2-835a-67bee9e6ddcb | mp-1198626 | Move the atom at index 61 towards the atom at index 1 by 1.38 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 167886e7-5cd7-4b9e-acad-f5d98a040bce | mp-1235973 | Move the atom at index 14 towards the atom at index 7 by 0.776 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 1e24c5ae-b01d-4c8e-968a-409a02b3ba99 | mp-765943 | Move the atom at index 2 towards the atom at index 1 by 0.71 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 23d6a414-cf1d-4385-9652-2baff03fde07 | mp-25954 | Move the atom at index 2 towards the atom at index 31 by 2.166 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | f38341fd-7792-4a74-82bb-3ada17a39aaf | mp-16136 | Move the atom at index 21 towards the atom at index 13 by 1.265 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | ec6e16ab-91d7-4d41-84fb-71fac219d963 | mp-755023 | Move the atom at index 11 towards the atom at index 1 by 2.198 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | eb0436ed-8463-4395-93ea-c892d9bbc3d6 | mp-1217240 | Move the atom at index 41 towards the atom at index 34 by 1.956 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 1abaae0f-ab3f-4d28-917c-d16ddafe6895 | mp-867658 | Move the atom at index 62 towards the atom at index 46 by 2.858 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... |
MoveTowardsAtomAction | 475b0bc1-0f24-4a5d-9e86-9f49ced1480c | mp-1076079 | Move the atom at index 37 towards the atom at index 11 by 1.602 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | d872b475-6d63-4658-b54a-2a23a715808d | mp-1176457 | Move the atom at index 11 towards the atom at index 12 by 1.206 angstrom in the cif file. | 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 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_... |
MoveTowardsAtomAction | 40226242-74b5-49d1-9175-e7bf5d66ac3e | mp-733581 | Move the atom at index 55 towards the atom at index 77 by 1.723 angstrom in the cif file. | 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 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 ... |
MoveTowardsAtomAction | 8a1c57c4-21c6-40f2-93c8-cf77fa7ee27c | mp-1219022 | Move the atom at index 8 towards the atom at index 0 by 0.491 angstrom in the cif file. | 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 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
_... |
MoveTowardsAtomAction | 1d6f24d5-978a-4167-92ff-41183e609e95 | mp-1224278 | Move the atom at index 17 towards the atom at index 18 by 2.895 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 35e3d750-0845-44b0-86bb-4595ff52c281 | mp-559350 | Move the atom at index 4 towards the atom at index 50 by 1.231 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 7bda9d31-8fab-450d-a11b-79511a093cc4 | mp-1407867 | Move the atom at index 9 towards the atom at index 5 by 2.219 angstrom in the cif file. | 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 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
... |
MoveTowardsAtomAction | 8b8f8d77-bd96-463a-8262-5928429ad8f2 | mp-1246950 | Move the atom at index 3 towards the atom at index 9 by 2.196 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 49385b77-b46c-4975-bb26-ed009e02c813 | mp-29756 | Move the atom at index 3 towards the atom at index 26 by 2.558 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 9696d796-5b31-49f3-83fe-ed7fac9ecfa0 | mp-510460 | Move the atom at index 5 towards the atom at index 0 by 0.448 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 268d0be4-ba21-43b3-be06-2dcc377dc028 | mp-1030605 | Move the atom at index 6 towards the atom at index 2 by 0.647 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 73125ffb-e13d-4b7b-9956-4e72a4339c5b | mp-1227612 | Move the atom at index 29 towards the atom at index 6 by 2.575 angstrom in the cif file. | 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 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... |
MoveTowardsAtomAction | 1e9ed213-02f5-422e-a964-88b14203a918 | mp-1027965 | Move the atom at index 13 towards the atom at index 12 by 1.588 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural 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... |
MoveTowardsAtomAction | 1fd5a4bb-27ef-45d6-b80b-3850ef316ff5 | mp-698134 | Move the atom at index 43 towards the atom at index 36 by 1.514 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural 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_... |
MoveTowardsAtomAction | e2a574e1-1ef0-4db7-b4fb-647dd8b7e361 | mp-1195032 | Move the atom at index 23 towards the atom at index 20 by 2.741 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Te4N4O24
_chemical_formula_sum "Bi4 Te4 N4 O24"
_cell_length_a 9.04492363
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural 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 ... |
MoveTowardsAtomAction | 210c2ad1-d098-47f1-b931-262f8cae6ee3 | mp-2196 | Move the atom at index 15 towards the atom at index 14 by 1.708 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural 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 ... |
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