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 | 1d1affac-ea19-4a51-afcb-96387aa17df7 | mp-22420 | Move the atom at index 17 towards the atom at index 9 by 2.402 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu4Te4O16
_chemical_formula_sum "Cu4 Te4 O16"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Cu4Te4O16
_chemical_formula_sum "Cu4 Te4 O16"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 00829242-d1c0-469a-834a-1edd3aa39d35 | mp-1445089 | Move the atom at index 3 towards the atom at index 15 by 0.24 angstrom in the cif file. | data_image0
_chemical_formula_structural Mo4O12
_chemical_formula_sum "Mo4 O12"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo4O12
_chemical_formula_sum "Mo4 O12"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ab8be06a-b32f-4aa5-a9f6-211b9fa0b8e9 | mp-1037834 | Move the atom at index 19 towards the atom at index 4 by 2.487 angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg30SnO32
_chemical_formula_sum "Ca1 Mg30 Sn1 O32"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_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 CaMg30SnO32
_chemical_formula_sum "Ca1 Mg30 Sn1 O32"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_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 | de95620b-403a-4a5f-8f13-a4d38dbb933a | mp-27442 | Move the atom at index 1 towards the atom at index 12 by 0.533 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... |
MoveTowardsAtomAction | 0c7ac253-4292-4614-81a7-08bc76c3f27f | mp-756380 | Move the atom at index 22 towards the atom at index 12 by 1.731 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16
_chemical_formula_sum "Li4 Ti3 Mn3 W2 O16"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
_spac... | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16
_chemical_formula_sum "Li4 Ti3 Mn3 W2 O16"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
_spac... |
MoveTowardsAtomAction | 66b7328e-e339-4927-95a6-9198ca163759 | mp-3887 | Move the atom at index 34 towards the atom at index 8 by 1.805 angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveTowardsAtomAction | 6f6a3c51-4c12-42e4-9ea6-7cfa73c77a42 | mp-504603 | Move the atom at index 2 towards the atom at index 5 by 2.801 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TlFeF6
_chemical_formula_sum "Cs2 Tl1 Fe1 F6"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Cs2TlFeF6
_chemical_formula_sum "Cs2 Tl1 Fe1 F6"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... |
MoveTowardsAtomAction | 88ea5e1e-9035-4be1-8ae7-599a27a94529 | mp-1222029 | Move the atom at index 11 towards the atom at index 6 by 0.857 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ga2Cu6
_chemical_formula_sum "Mn4 Ga2 Cu6"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn4Ga2Cu6
_chemical_formula_sum "Mn4 Ga2 Cu6"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | eca8d58d-3e3c-4b0f-a20c-76619c3f5527 | mp-677509 | Move the atom at index 6 towards the atom at index 21 by 2.195 angstrom in the cif file. | data_image0
_chemical_formula_structural K8N4O10
_chemical_formula_sum "K8 N4 O10"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_space_gr... | data_image0
_chemical_formula_structural K8N4O10
_chemical_formula_sum "K8 N4 O10"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_space_gr... |
MoveTowardsAtomAction | 7537d46b-e14d-46b2-9d29-5d3b1583e2d2 | mp-1006615 | Move the atom at index 10 towards the atom at index 12 by 2.284 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_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 Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 489c2f05-f2ec-4c49-bdab-137af73db933 | mp-1224058 | Move the atom at index 15 towards the atom at index 10 by 2.744 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 41673c9c-96b7-4b36-a3fd-87ad18dfc958 | mp-1176656 | Move the atom at index 9 towards the atom at index 1 by 2.524 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn4O8
_chemical_formula_sum "Li2 Mn4 O8"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
_spac... | data_image0
_chemical_formula_structural Li2Mn4O8
_chemical_formula_sum "Li2 Mn4 O8"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
_spac... |
MoveTowardsAtomAction | fe4d9dc0-b50f-4252-819f-2f74333a037f | mp-672679 | Move the atom at index 1 towards the atom at index 21 by 1.508 angstrom in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... |
MoveTowardsAtomAction | 4195696b-6c86-4fd3-9627-004cb1be98f3 | mp-29082 | Move the atom at index 2 towards the atom at index 1 by 1.228 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... |
MoveTowardsAtomAction | afc83fcb-9c2f-447e-915c-a756dc6ae6d8 | mp-28301 | Move the atom at index 1 towards the atom at index 28 by 1.739 angstrom in the cif file. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 | 13420212-3473-4af9-b8bd-16b0bbf144a0 | mp-1211356 | Move the atom at index 11 towards the atom at index 12 by 0.404 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Tc4O8
_chemical_formula_sum "K4 Tc4 O8"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_group_n... | data_image0
_chemical_formula_structural K4Tc4O8
_chemical_formula_sum "K4 Tc4 O8"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_group_n... |
MoveTowardsAtomAction | 8da9abaa-4f01-4443-a974-094ce7c604ae | mp-1048118 | Move the atom at index 20 towards the atom at index 4 by 2.713 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Y2Ti8O14
_chemical_formula_sum "Ba2 Y2 Ti8 O14"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Y2Ti8O14
_chemical_formula_sum "Ba2 Y2 Ti8 O14"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 6e71676a-cd42-406f-bc56-2ab796d5a80f | mp-1223027 | Move the atom at index 0 towards the atom at index 5 by 0.115 angstrom in the cif file. | data_image0
_chemical_formula_structural LaB4Rh7
_chemical_formula_sum "La1 B4 Rh7"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaB4Rh7
_chemical_formula_sum "La1 B4 Rh7"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 1d6038c6-53d7-4b60-a86f-d12a34838ae6 | mp-1227552 | Move the atom at index 26 towards the atom at index 30 by 1.604 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Al4Fe4O20
_chemical_formula_sum "Ca8 Al4 Fe4 O20"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_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 Ca8Al4Fe4O20
_chemical_formula_sum "Ca8 Al4 Fe4 O20"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_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 | c6aaab5c-ac0c-463b-9aae-6cbeaad5548b | mp-779754 | Move the atom at index 34 towards the atom at index 24 by 1.686 angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... |
MoveTowardsAtomAction | cc674aee-361e-4735-ba08-87fb934f1602 | mp-762633 | Move the atom at index 1 towards the atom at index 3 by 0.348 angstrom in the cif file. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... |
MoveTowardsAtomAction | 241acf41-249d-4789-b42a-1ea23c640872 | mp-1210214 | Move the atom at index 15 towards the atom at index 7 by 1.568 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 2a8ca5f3-6725-4789-96e2-051c16e23d02 | mp-1075693 | Move the atom at index 14 towards the atom at index 10 by 2.708 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... |
MoveTowardsAtomAction | ed2090c3-0860-49d1-b804-164b5d5af144 | mp-1076053 | Move the atom at index 14 towards the atom at index 5 by 2.209 angstrom in the cif file. | data_image0
_chemical_formula_structural La4Cu4O10
_chemical_formula_sum "La4 Cu4 O10"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.20585973000001... | data_image0
_chemical_formula_structural La4Cu4O10
_chemical_formula_sum "La4 Cu4 O10"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.20585973000001... |
MoveTowardsAtomAction | 4b3d19b1-5fad-4c55-83ba-d16c108440f9 | mp-1207806 | Move the atom at index 9 towards the atom at index 8 by 1.645 angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Al2
_chemical_formula_sum "Y8 Al2"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Y8Al2
_chemical_formula_sum "Y8 Al2"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 0ac6c8a2-1b1d-4267-b240-94c879cee328 | mp-1220988 | Move the atom at index 3 towards the atom at index 6 by 2.513 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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... |
MoveTowardsAtomAction | e74a3d78-d942-415a-88e2-72e69fac9974 | mp-1114234 | Move the atom at index 8 towards the atom at index 9 by 0.632 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | d12a3a38-a9bb-40c1-9ca9-6c3e497c1617 | mp-545404 | Move the atom at index 5 towards the atom at index 6 by 0.235 angstrom in the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... |
MoveTowardsAtomAction | 26bce91c-0384-40af-abe8-52d7ccd1be94 | mp-38090 | Move the atom at index 30 towards the atom at index 20 by 2.612 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... |
MoveTowardsAtomAction | 15033cd5-c717-4cb3-9a59-e727d5e5c026 | mp-504962 | Move the atom at index 4 towards the atom at index 26 by 2.302 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Na12In4O16
_chemical_formula_sum "K8 Na12 In4 O16"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_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 K8Na12In4O16
_chemical_formula_sum "K8 Na12 In4 O16"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_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 | 04a4f69e-2101-49b4-a5f0-4ada6748c66d | mp-759254 | Move the atom at index 38 towards the atom at index 9 by 1.556 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... |
MoveTowardsAtomAction | 5039cac8-24b6-406b-a499-bb9b55bc082c | mp-1035395 | Move the atom at index 25 towards the atom at index 22 by 0.475 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 | 0001986d-00ae-41e3-a4b0-cfe9911bed4e | mp-1181827 | Move the atom at index 26 towards the atom at index 5 by 0.838 angstrom in the cif file. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 145b1938-f4b9-410a-bada-56176ef54b2b | mp-1042551 | Move the atom at index 0 towards the atom at index 4 by 1.772 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ni4O8
_chemical_formula_sum "Ca2 Ni4 O8"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ca2Ni4O8
_chemical_formula_sum "Ca2 Ni4 O8"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name_H-M_a... |
MoveTowardsAtomAction | f9d4ec93-b6bc-4c72-b3fe-ce47b65aa10e | mp-1208988 | Move the atom at index 5 towards the atom at index 8 by 1.764 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 476415bc-28f5-4bc3-a942-94000288b1af | mp-510041 | Move the atom at index 18 towards the atom at index 3 by 2.405 angstrom in the cif file. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveTowardsAtomAction | d46edfc1-eed9-4f25-9954-8a162bf30a70 | mp-1215346 | Move the atom at index 0 towards the atom at index 8 by 0.282 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 859be873-d107-4057-af05-3fe0b9b4d6d9 | mp-20461 | Move the atom at index 4 towards the atom at index 0 by 2.721 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... |
MoveTowardsAtomAction | a8d2eed6-5549-42ab-a466-72a51164b912 | mp-1192939 | Move the atom at index 27 towards the atom at index 22 by 0.466 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveTowardsAtomAction | 2708e64f-7163-4d3a-9fa0-5e4adc657b96 | mp-756019 | Move the atom at index 2 towards the atom at index 13 by 0.153 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Si2Ni2O8
_chemical_formula_sum "Li3 Si2 Ni2 O8"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_space_gro... | data_image0
_chemical_formula_structural Li3Si2Ni2O8
_chemical_formula_sum "Li3 Si2 Ni2 O8"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_space_gro... |
MoveTowardsAtomAction | bca00da9-9700-4382-b306-9c9583e0b062 | mp-778114 | Move the atom at index 11 towards the atom at index 2 by 0.196 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Ge4O14
_chemical_formula_sum "Sm4 Ge4 O14"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sm4Ge4O14
_chemical_formula_sum "Sm4 Ge4 O14"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 0a447e8e-c4e8-45e7-a8d4-13d3b5a2fcba | mp-984755 | Move the atom at index 23 towards the atom at index 8 by 2.064 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... |
MoveTowardsAtomAction | 6ba8652a-7565-4930-978e-74c919276b96 | mp-705004 | Move the atom at index 4 towards the atom at index 38 by 1.916 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 2f76ccf5-b434-41cb-b3b1-38557d29a336 | mp-1022621 | Move the atom at index 15 towards the atom at index 8 by 2.534 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 | ae90fbe6-d6dc-440d-b513-ac8ee0f39a92 | mp-2218385 | Move the atom at index 4 towards the atom at index 3 by 0.265 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... |
MoveTowardsAtomAction | e0c46dca-e09e-4c5b-8208-908d9edfd8b6 | mp-1036452 | Move the atom at index 25 towards the atom at index 19 by 2.685 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 | 09f832d2-ff20-4496-b6ab-a10e1a9b4fe6 | mp-706913 | Move the atom at index 29 towards the atom at index 0 by 1.515 angstrom in the cif file. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... |
MoveTowardsAtomAction | ec2c03fc-6a4d-4365-ac4c-cf4f4820859b | mp-766284 | Move the atom at index 13 towards the atom at index 46 by 2.526 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 | 1bde6725-16be-4bd5-8f51-12428ff3ea48 | mp-1245691 | Move the atom at index 71 towards the atom at index 42 by 2.095 angstrom in the cif file. | data_image0
_chemical_formula_structural V8Fe56N32
_chemical_formula_sum "V8 Fe56 N32"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_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 V8Fe56N32
_chemical_formula_sum "V8 Fe56 N32"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_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 | a6b4dbb7-5ec4-4510-bfba-9afe6b6f41dc | mp-1073789 | Move the atom at index 3 towards the atom at index 10 by 2.698 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... |
MoveTowardsAtomAction | 580304ab-95db-46e6-ae63-f5e168520b6a | mp-18561 | Move the atom at index 15 towards the atom at index 10 by 1.266 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 | ac19a561-1be5-48af-b73e-1e931e9d048a | mp-703276 | Move the atom at index 65 towards the atom at index 15 by 1.87 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48
_chemical_formula_sum "Ca5 Al11 Tl1 Si13 O48"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma 89.6156... | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48
_chemical_formula_sum "Ca5 Al11 Tl1 Si13 O48"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma 89.6156... |
MoveTowardsAtomAction | 6d276088-166e-4b8e-bdba-021965c21d42 | mp-756652 | Move the atom at index 20 towards the atom at index 1 by 0.444 angstrom in the cif file. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... |
MoveTowardsAtomAction | 16cb135a-c45c-4927-8fb0-3d0211898fcd | mp-758643 | Move the atom at index 18 towards the atom at index 34 by 0.821 angstrom in the cif file. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveTowardsAtomAction | df15ce1a-41fe-4d2d-ad0a-a0b8722f219f | mp-1521558 | Move the atom at index 4 towards the atom at index 3 by 2.962 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaCeHfO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O6"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeHfO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O6"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
MoveTowardsAtomAction | 4c7ff2ed-19a6-44cb-afe5-ade4f95a63e3 | mp-772524 | Move the atom at index 0 towards the atom at index 19 by 1.739 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... |
MoveTowardsAtomAction | 1b20d207-81d7-4acd-a48c-7892fa060661 | mp-755871 | Move the atom at index 11 towards the atom at index 15 by 1.107 angstrom in the cif file. | data_image0
_chemical_formula_structural V6O7F5
_chemical_formula_sum "V6 O7 F5"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V6O7F5
_chemical_formula_sum "V6 O7 F5"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 64b842a5-9761-4d07-93c2-d9116c08b072 | mp-1199756 | Move the atom at index 11 towards the atom at index 17 by 0.474 angstrom in the cif file. | data_image0
_chemical_formula_structural Co4N28O32
_chemical_formula_sum "Co4 N28 O32"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_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 Co4N28O32
_chemical_formula_sum "Co4 N28 O32"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_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 | 3d60a31e-5414-4160-a2bc-a4814b622a8b | mp-1039932 | Move the atom at index 14 towards the atom at index 26 by 2.02 angstrom in the cif file. | data_image0
_chemical_formula_structural NaLaMg30O32
_chemical_formula_sum "Na1 La1 Mg30 O32"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_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 NaLaMg30O32
_chemical_formula_sum "Na1 La1 Mg30 O32"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_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 | 24e52dfe-cbf9-490e-8313-a1a2ac9a8bce | mp-1217947 | Move the atom at index 0 towards the atom at index 9 by 0.953 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | 154aeaf0-efb0-4dbe-8119-5120f784fcb6 | mp-1518357 | Move the atom at index 5 towards the atom at index 0 by 1.741 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... |
MoveTowardsAtomAction | aa85ab37-c343-4584-89d5-5f0507a9e3b7 | mp-1198401 | Move the atom at index 23 towards the atom at index 41 by 1.733 angstrom in the cif file. | data_image0
_chemical_formula_structural Th4N12F28
_chemical_formula_sum "Th4 N12 F28"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Th4N12F28
_chemical_formula_sum "Th4 N12 F28"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveTowardsAtomAction | 16311c13-c589-4d50-9325-f20411e77332 | mp-555271 | Move the atom at index 8 towards the atom at index 1 by 2.862 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14
_chemical_formula_sum "Ba4 Zn4 Cl2 F14"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14
_chemical_formula_sum "Ba4 Zn4 Cl2 F14"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | e93df8b6-6013-485b-b594-dbcc3bf1c9d3 | mp-1191974 | Move the atom at index 15 towards the atom at index 19 by 0.829 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... |
MoveTowardsAtomAction | 32fe937f-977b-4317-8488-7e3c517b0c83 | mp-755971 | Move the atom at index 8 towards the atom at index 11 by 0.562 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... |
MoveTowardsAtomAction | 72b029f8-cdbd-40f8-ae16-fe58df99dcc9 | mp-2226963 | Move the atom at index 5 towards the atom at index 14 by 1.995 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... |
MoveTowardsAtomAction | 9c312b14-b2e3-4f4a-93f2-58c76cd0106e | mp-1206898 | Move the atom at index 6 towards the atom at index 1 by 0.228 angstrom in the cif file. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveTowardsAtomAction | e3fc1936-1008-4b82-bba8-786e292f39ee | mp-752535 | Move the atom at index 16 towards the atom at index 14 by 1.562 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2In6O14
_chemical_formula_sum "Ta2 In6 O14"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta2In6O14
_chemical_formula_sum "Ta2 In6 O14"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | c66119f1-2390-488f-94a2-f19f2ce6b3df | mp-1200969 | Move the atom at index 11 towards the atom at index 53 by 2.553 angstrom in the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | de49c0c2-a6e7-4e84-90fa-d47989c14713 | mp-557123 | Move the atom at index 26 towards the atom at index 52 by 0.433 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 65c08e01-4ab1-4d7c-9bfd-e16faadf36a7 | mp-1209411 | Move the atom at index 14 towards the atom at index 2 by 1.995 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b710fdf7-a4c1-4e3f-866a-874e0421ec69 | mp-2230889 | Move the atom at index 13 towards the atom at index 5 by 2.517 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... |
MoveTowardsAtomAction | ddb28a26-9b88-44aa-a130-64948a74dee9 | mp-1175318 | Move the atom at index 43 towards the atom at index 20 by 2.398 angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... |
MoveTowardsAtomAction | eb9177cd-9a8b-4c5a-8feb-653fe2ea4828 | mp-1017159 | Move the atom at index 6 towards the atom at index 0 by 2.381 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 | 8b4d06dd-df9b-4210-b332-a80d31d6764d | mp-1198084 | Move the atom at index 8 towards the atom at index 13 by 1.289 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... |
MoveTowardsAtomAction | 23aeb3cf-1406-44e0-a6d2-bb29f8357643 | mp-1028157 | Move the atom at index 4 towards the atom at index 5 by 0.934 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | d213dd40-35e2-4acd-b17b-34e9cc03d3a1 | mp-541221 | Move the atom at index 34 towards the atom at index 54 by 2.608 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... |
MoveTowardsAtomAction | ab8986ba-4209-4001-8448-ba97f771bdd2 | mp-769628 | Move the atom at index 20 towards the atom at index 15 by 2.9 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... |
MoveTowardsAtomAction | 1a219f83-e1c8-4b94-bacb-58a29d732fb7 | mp-697575 | Move the atom at index 7 towards the atom at index 15 by 1.995 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 | abb052b3-55b8-4741-b2c0-20d5d15277ac | mp-1042619 | Move the atom at index 12 towards the atom at index 6 by 1.618 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
MoveTowardsAtomAction | 46dca0ee-8b0c-4e99-881e-f6b7ab95ff71 | mp-753904 | Move the atom at index 4 towards the atom at index 8 by 2.434 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn7O7F
_chemical_formula_sum "Mn7 O7 F1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn7O7F
_chemical_formula_sum "Mn7 O7 F1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 0ded56fd-be20-447a-a252-85362b423c8e | mp-721707 | Move the atom at index 4 towards the atom at index 19 by 1.132 angstrom in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... |
MoveTowardsAtomAction | c5e5040a-566c-485b-b63d-4fdf73b774cc | mp-756068 | Move the atom at index 12 towards the atom at index 5 by 2.657 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 | 16a9ef7e-cd80-4992-b087-73faf8ae8d72 | mp-1246932 | Move the atom at index 46 towards the atom at index 55 by 2.38 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... |
MoveTowardsAtomAction | de7918d8-7930-4ed2-8189-116ffa13ad37 | mp-736701 | Move the atom at index 17 towards the atom at index 43 by 2.648 angstrom in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 371669b6-3e22-4477-92b7-03c6168a55aa | mp-2228606 | Move the atom at index 7 towards the atom at index 0 by 2.74 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | abf9a0a1-cd21-4685-b025-c34be21c4294 | mp-608551 | Move the atom at index 20 towards the atom at index 19 by 1.962 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | cb7a1f61-d841-452a-8853-3808762f0bb7 | mp-1246724 | Move the atom at index 18 towards the atom at index 10 by 0.514 angstrom in the cif file. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveTowardsAtomAction | d981031c-bfd3-45d5-9594-e65f5bf14ae1 | mp-1207481 | Move the atom at index 18 towards the atom at index 17 by 2.125 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_name_H-M... |
MoveTowardsAtomAction | 203d192e-6be3-48a1-b3b6-67104ecffb62 | mp-554704 | Move the atom at index 12 towards the atom at index 20 by 2.017 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 9182eb7e-e51e-408c-a4f2-012cb828579e | mp-774789 | Move the atom at index 46 towards the atom at index 4 by 0.504 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... |
MoveTowardsAtomAction | d23a15c0-cc2c-4d67-afd0-cc0202de088c | mp-1223525 | Move the atom at index 26 towards the atom at index 1 by 1.095 angstrom in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... |
MoveTowardsAtomAction | 251363a9-8d1d-4331-928f-e23b64ddbda1 | mp-1211239 | Move the atom at index 22 towards the atom at index 37 by 2.357 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... |
MoveTowardsAtomAction | acf0e627-a9cd-4a3f-aba0-d888176ec953 | mp-995217 | Move the atom at index 7 towards the atom at index 18 by 2.961 angstrom in the cif file. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... |
MoveTowardsAtomAction | 1ed90d56-b21b-493b-8dd4-ab9fe036cd38 | mp-24123 | Move the atom at index 5 towards the atom at index 24 by 0.54 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2B12H12
_chemical_formula_sum "Rb2 B12 H12"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2B12H12
_chemical_formula_sum "Rb2 B12 H12"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 4b60bb3d-76df-413d-b6dd-af85a18ab00a | mp-849460 | Move the atom at index 15 towards the atom at index 4 by 1.238 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8O4F12
_chemical_formula_sum "Mn8 O4 F12"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn8O4F12
_chemical_formula_sum "Mn8 O4 F12"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 23582121-e84e-4f98-acce-365f9f7defdb | mp-1219829 | Move the atom at index 23 towards the atom at index 14 by 1.925 angstrom in the cif file. | data_image0
_chemical_formula_structural Re2S16N2O4
_chemical_formula_sum "Re2 S16 N2 O4"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_space_gro... | data_image0
_chemical_formula_structural Re2S16N2O4
_chemical_formula_sum "Re2 S16 N2 O4"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_space_gro... |
MoveTowardsAtomAction | 84411aed-da77-4519-ab10-a88e525799e0 | mp-504385 | Move the atom at index 47 towards the atom at index 58 by 2.867 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 73f1237d-da37-4cff-8bcf-530838e07262 | mp-726253 | Move the atom at index 12 towards the atom at index 4 by 0.476 angstrom in the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... |
MoveTowardsAtomAction | 361f39a8-a2d2-44de-a94d-c139d09768cb | mp-580525 | Move the atom at index 23 towards the atom at index 29 by 0.663 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
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