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 | aa817b81-4b13-4d10-9049-08b32ddfdee9 | mp-690607 | Move the atom at index 21 towards the atom at index 0 by 0.473 angstrom in the cif file. | data_image0
_chemical_formula_structural K2BaNiN6O12
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.35471982000001... | data_image0
_chemical_formula_structural K2BaNiN6O12
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.35471982000001... |
MoveTowardsAtomAction | 13cbae58-48a8-4a52-9fe1-a838c9442da4 | mp-1111315 | Move the atom at index 0 towards the atom at index 2 by 2.784 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TiAgF6
_chemical_formula_sum "Na2 Ti1 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Na2TiAgF6
_chemical_formula_sum "Na2 Ti1 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... |
MoveTowardsAtomAction | 1a915bf9-7eb1-45e7-9021-8c91cdcc901b | mp-559270 | Move the atom at index 10 towards the atom at index 17 by 1.394 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space_g... | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space_g... |
MoveTowardsAtomAction | 3fe4b742-1ea7-4e2a-8980-081679a5f187 | mp-541574 | Move the atom at index 4 towards the atom at index 22 by 2.043 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 | 1e696200-cc07-4c54-8448-9a92f2434509 | mp-1336298 | Move the atom at index 14 towards the atom at index 44 by 0.678 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... |
MoveTowardsAtomAction | ea15a9cf-52f8-41f1-a875-e0368aeb9e50 | mp-1103066 | Move the atom at index 2 towards the atom at index 3 by 2.245 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 | 181ced4c-acac-4b12-a10b-78a8fa956597 | mp-1205450 | Move the atom at index 12 towards the atom at index 3 by 0.899 angstrom in the cif file. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_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 Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_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 | 26ba66bb-03c7-46b4-adf6-c71f615579d4 | mp-1197288 | Move the atom at index 0 towards the atom at index 1 by 2.506 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Se12O36
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs4Se12O36
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 59743323-a522-4738-aa4d-9b41d197058a | mp-23977 | Move the atom at index 27 towards the atom at index 26 by 0.633 angstrom in the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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... | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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... |
MoveTowardsAtomAction | 3d2b97de-d113-450c-87fd-89f9d9538f41 | mp-1204342 | Move the atom at index 12 towards the atom at index 23 by 2.278 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
MoveTowardsAtomAction | c0de1579-4afe-4eba-8a85-3bc81b87bf18 | mp-29082 | Move the atom at index 19 towards the atom at index 0 by 0.799 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 | 173c44b5-3b48-49fc-a7fe-c27cdc6cf1ca | mp-1522139 | Move the atom at index 0 towards the atom at index 9 by 1.721 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... |
MoveTowardsAtomAction | 20f120bf-7028-4efa-a281-7bf856265d20 | mp-776358 | Move the atom at index 27 towards the atom at index 35 by 2.622 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... |
MoveTowardsAtomAction | 26bdf6bf-a3b3-4b1a-bb39-2bdf9256c9eb | mp-650023 | Move the atom at index 26 towards the atom at index 27 by 0.128 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Pd2C8S8N8
_chemical_formula_sum "K4 Pd2 C8 S8 N8"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K4Pd2C8S8N8
_chemical_formula_sum "K4 Pd2 C8 S8 N8"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveTowardsAtomAction | f6ad2bf8-7ac1-4c1a-9d12-299eb3736d59 | mp-1198968 | Move the atom at index 1 towards the atom at index 8 by 2.383 angstrom in the cif file. | data_image0
_chemical_formula_structural Be8P8Pb4O32
_chemical_formula_sum "Be8 P8 Pb4 O32"
_cell_length_a 9.12496
_cell_length_b 8.178792
_cell_length_c 8.49386858
_cell_angle_alpha 89.89024316000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be8P8Pb4O32
_chemical_formula_sum "Be8 P8 Pb4 O32"
_cell_length_a 9.12496
_cell_length_b 8.178792
_cell_length_c 8.49386858
_cell_angle_alpha 89.89024316000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ecd22ce1-d7d8-4fd0-97ed-795012a4c52e | mp-1111072 | Move the atom at index 9 towards the atom at index 6 by 1.069 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3MnF6
_chemical_formula_sum "Li3 Mn1 F6"
_cell_length_a 5.489198
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000045
_spa... | data_image0
_chemical_formula_structural Li3MnF6
_chemical_formula_sum "Li3 Mn1 F6"
_cell_length_a 5.489198
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000045
_spa... |
MoveTowardsAtomAction | 8b82ff03-2683-499c-a0aa-4bc36ddfbde3 | mp-1176871 | Move the atom at index 89 towards the atom at index 5 by 2.61 angstrom in the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... |
MoveTowardsAtomAction | 92a70945-b934-4038-9db9-fb3fd7004939 | mp-759128 | Move the atom at index 9 towards the atom at index 17 by 0.387 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Sb4P6O24
_chemical_formula_sum "Li6 Sb4 P6 O24"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_space_gr... | data_image0
_chemical_formula_structural Li6Sb4P6O24
_chemical_formula_sum "Li6 Sb4 P6 O24"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_space_gr... |
MoveTowardsAtomAction | d7be1383-b328-4f79-b41c-1f98e8946027 | mp-559041 | Move the atom at index 1 towards the atom at index 14 by 2.425 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... |
MoveTowardsAtomAction | b8b19153-1fcb-4754-996b-741a162746b5 | mp-18245 | Move the atom at index 13 towards the atom at index 10 by 2.981 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 | 20c2aa48-9339-41e3-a2da-2168d0667b3e | mp-1207451 | Move the atom at index 28 towards the atom at index 17 by 1.177 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Cu8B8O24
_chemical_formula_sum "Zn4 Cu8 B8 O24"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Zn4Cu8B8O24
_chemical_formula_sum "Zn4 Cu8 B8 O24"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveTowardsAtomAction | ecf51054-6d98-49bf-9480-cbf5e1be7f1d | mp-1176457 | Move the atom at index 15 towards the atom at index 12 by 0.548 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 | 7efa4ff9-cfe0-4e57-bde6-3098d23c832c | mp-1209764 | Move the atom at index 1 towards the atom at index 13 by 0.992 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12
_chemical_formula_sum "Pr4 Ni2 Pt2 O12"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 9.629747
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12
_chemical_formula_sum "Pr4 Ni2 Pt2 O12"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 9.629747
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 297c4782-aa84-4fb7-8b1a-cd9140397e8f | mp-763429 | Move the atom at index 7 towards the atom at index 0 by 0.64 angstrom in the cif file. | data_image0
_chemical_formula_structural LiFeCo2O6
_chemical_formula_sum "Li1 Fe1 Co2 O6"
_cell_length_a 6.54234775
_cell_length_b 2.88058675
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 104.92589905999999
_cell_angle_gamma 77.28999... | data_image0
_chemical_formula_structural LiFeCo2O6
_chemical_formula_sum "Li1 Fe1 Co2 O6"
_cell_length_a 6.54234775
_cell_length_b 2.88058675
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 104.92589905999999
_cell_angle_gamma 77.28999... |
MoveTowardsAtomAction | 1d8ef1bd-e7dd-44c6-9d94-d3ce1ad8e978 | mp-17335 | Move the atom at index 15 towards the atom at index 1 by 0.533 angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Ag2W4O16
_chemical_formula_sum "Er2 Ag2 W4 O16"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_group_name... | data_image0
_chemical_formula_structural Er2Ag2W4O16
_chemical_formula_sum "Er2 Ag2 W4 O16"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_group_name... |
MoveTowardsAtomAction | 71f0649c-794f-4520-9493-342166a81a26 | mp-768152 | Move the atom at index 2 towards the atom at index 4 by 0.567 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Zr2P2C2O14
_chemical_formula_sum "Na2 Zr2 P2 C2 O14"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 9.35326136
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Zr2P2C2O14
_chemical_formula_sum "Na2 Zr2 P2 C2 O14"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 9.35326136
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b8295ceb-1143-4087-ad34-03b0c7d2813f | mp-569862 | Move the atom at index 2 towards the atom at index 26 by 0.748 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... |
MoveTowardsAtomAction | 8a4f21f1-6b90-4e5f-b184-e899d5d29161 | mp-774323 | Move the atom at index 7 towards the atom at index 36 by 0.77 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... |
MoveTowardsAtomAction | 4841191f-a346-4534-9406-b251f5ccdfbb | mp-766529 | Move the atom at index 17 towards the atom at index 5 by 0.66 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_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 Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_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 | f5f92d45-beaa-4e70-ac2a-795139e7d301 | mp-2228376 | Move the atom at index 12 towards the atom at index 7 by 1.59 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMnSb4O12
_chemical_formula_sum "Mg1 Mn1 Sb4 O12"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964617460... | data_image0
_chemical_formula_structural MgMnSb4O12
_chemical_formula_sum "Mg1 Mn1 Sb4 O12"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964617460... |
MoveTowardsAtomAction | 405f8b05-75fb-4e4b-965b-f1813ec8d790 | mp-1105068 | Move the atom at index 11 towards the atom at index 7 by 1.825 angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveTowardsAtomAction | 89237a15-d272-4cfd-a81a-e503582924e8 | mp-705430 | Move the atom at index 48 towards the atom at index 32 by 2.485 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn24O48
_chemical_formula_sum "Mn24 O48"
_cell_length_a 5.84821856
_cell_length_b 5.84821856
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn24O48
_chemical_formula_sum "Mn24 O48"
_cell_length_a 5.84821856
_cell_length_b 5.84821856
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | f0ae7371-a22c-48c4-b81d-93e1b3219724 | mp-1097054 | Move the atom at index 26 towards the atom at index 22 by 1.758 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 | c4a126fd-12c8-4bdd-a16c-cceb20f8877d | mp-1233358 | Move the atom at index 11 towards the atom at index 17 by 1.155 angstrom in the cif file. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... |
MoveTowardsAtomAction | 26e6d42b-13c9-4b1a-af14-2e4fabcbeee9 | mp-760314 | Move the atom at index 3 towards the atom at index 4 by 1.077 angstrom in the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... |
MoveTowardsAtomAction | 80e96c65-2083-4291-a6d6-418c838d87b3 | mp-606949 | Move the atom at index 0 towards the atom at index 2 by 0.653 angstrom in the cif file. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | f8656d2f-9787-4d43-b1fc-62a7f16dfc8e | mp-759863 | Move the atom at index 7 towards the atom at index 1 by 1.162 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... |
MoveTowardsAtomAction | 368b883c-29b2-4a47-92fb-41b1c63bd14f | mp-850249 | Move the atom at index 15 towards the atom at index 14 by 0.691 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... |
MoveTowardsAtomAction | f34863fc-6066-4316-bb96-ca5eb52cce74 | mp-864652 | Move the atom at index 16 towards the atom at index 15 by 0.734 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Al2S14
_chemical_formula_sum "Nd6 Mn2 Al2 S14"
_cell_length_a 10.00314552
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_space_group_name_... | data_image0
_chemical_formula_structural Nd6Mn2Al2S14
_chemical_formula_sum "Nd6 Mn2 Al2 S14"
_cell_length_a 10.00314552
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_space_group_name_... |
MoveTowardsAtomAction | f01f787a-5eae-4f23-b5dc-9bd89bc24420 | mp-1194542 | Move the atom at index 13 towards the atom at index 21 by 2.079 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Al32Co8
_chemical_formula_sum "Ce4 Al32 Co8"
_cell_length_a 3.98553243
_cell_length_b 12.34172752
_cell_length_c 14.25046222
_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 Ce4Al32Co8
_chemical_formula_sum "Ce4 Al32 Co8"
_cell_length_a 3.98553243
_cell_length_b 12.34172752
_cell_length_c 14.25046222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 0b055ad1-026e-478f-9de1-9f7669c56a64 | mp-1073136 | Move the atom at index 0 towards the atom at index 8 by 2.248 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 385c095a-a358-4632-a57f-0c700a204e83 | mp-1179984 | Move the atom at index 6 towards the atom at index 0 by 0.225 angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... |
MoveTowardsAtomAction | 50721b23-2af7-407a-8781-29bddb3b7a35 | mp-655140 | Move the atom at index 22 towards the atom at index 14 by 1.552 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ag4O16
_chemical_formula_sum "Mn4 Ag4 O16"
_cell_length_a 9.420549
_cell_length_b 6.103708
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4Ag4O16
_chemical_formula_sum "Mn4 Ag4 O16"
_cell_length_a 9.420549
_cell_length_b 6.103708
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | ca860b38-2df1-4a0d-aa84-97be83508304 | mp-768416 | Move the atom at index 17 towards the atom at index 8 by 1.684 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Y8Br40
_chemical_formula_sum "Ba8 Y8 Br40"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba8Y8Br40
_chemical_formula_sum "Ba8 Y8 Br40"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 51fcb824-03d0-4ff0-a9c3-f0a6142c2dd5 | mp-1074233 | Move the atom at index 0 towards the atom at index 2 by 2.661 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si14
_chemical_formula_sum "Mg8 Si14"
_cell_length_a 3.950515
_cell_length_b 6.859053
_cell_length_c 14.93747589
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg8Si14
_chemical_formula_sum "Mg8 Si14"
_cell_length_a 3.950515
_cell_length_b 6.859053
_cell_length_c 14.93747589
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | 921f0a6b-1d4c-4674-ad13-136cddcdee08 | mp-772788 | Move the atom at index 33 towards the atom at index 34 by 1.653 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_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 Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_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 | b02da78e-3e6c-4d5e-981c-1135d011e744 | mp-1195832 | Move the atom at index 1 towards the atom at index 7 by 1.468 angstrom in the cif file. | data_image0
_chemical_formula_structural Si2H24N8F8
_chemical_formula_sum "Si2 H24 N8 F8"
_cell_length_a 5.4604596
_cell_length_b 5.4604596
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01468179
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Si2H24N8F8
_chemical_formula_sum "Si2 H24 N8 F8"
_cell_length_a 5.4604596
_cell_length_b 5.4604596
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01468179
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 8cd15fed-c01c-451f-9d83-dfeb28e40a57 | mp-569606 | Move the atom at index 1 towards the atom at index 17 by 1.932 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 5a93f810-6a2b-402a-a156-851f75965c82 | mp-997504 | Move the atom at index 1 towards the atom at index 0 by 0.448 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... |
MoveTowardsAtomAction | 2f2d19ba-d674-40e7-9d5c-3cdf333f19d4 | mp-1202419 | Move the atom at index 16 towards the atom at index 50 by 2.822 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... |
MoveTowardsAtomAction | f5ec2f02-4e1e-42f4-bb08-e452d9cc445f | mp-1217519 | Move the atom at index 10 towards the atom at index 21 by 1.95 angstrom in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... |
MoveTowardsAtomAction | b2df7b15-cfbc-4f36-8fad-f688adfd3d2d | mp-764512 | Move the atom at index 16 towards the atom at index 19 by 0.658 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... |
MoveTowardsAtomAction | 9d460509-fdc0-49ef-bf27-0a3e26fd83c3 | mp-1190970 | Move the atom at index 14 towards the atom at index 20 by 2.678 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 9a848e97-fc6d-4430-803d-5d8f770200ba | mp-752981 | Move the atom at index 2 towards the atom at index 0 by 2.332 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe2Ni3O10
_chemical_formula_sum "Li3 Fe2 Ni3 O10"
_cell_length_a 5.048014
_cell_length_b 5.06923991
_cell_length_c 7.69817601
_cell_angle_alpha 71.25298105
_cell_angle_beta 70.93406166
_cell_angle_gamma 79.69884346
_space_group_... | data_image0
_chemical_formula_structural Li3Fe2Ni3O10
_chemical_formula_sum "Li3 Fe2 Ni3 O10"
_cell_length_a 5.048014
_cell_length_b 5.06923991
_cell_length_c 7.69817601
_cell_angle_alpha 71.25298105
_cell_angle_beta 70.93406166
_cell_angle_gamma 79.69884346
_space_group_... |
MoveTowardsAtomAction | c0556869-68a9-480a-aa74-2437a1072c2c | mp-1035975 | Move the atom at index 21 towards the atom at index 0 by 1.957 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 | a53521e7-a00b-4191-a7d1-fb0aa5ed2b11 | mp-1245016 | Move the atom at index 70 towards the atom at index 75 by 0.13 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... |
MoveTowardsAtomAction | 66274f71-53eb-455f-880c-3e790b72e8da | mp-762067 | Move the atom at index 55 towards the atom at index 39 by 1.71 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32"
_cell_length_a 6.0189181
_cell_length_b 10.36298234
_cell_length_c 10.54535638
_cell_angle_alpha 89.79099985000002
_cell_angle_beta 89.60494715999998
_cell_angle_gamma 89.758... | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32"
_cell_length_a 6.0189181
_cell_length_b 10.36298234
_cell_length_c 10.54535638
_cell_angle_alpha 89.79099985000002
_cell_angle_beta 89.60494715999998
_cell_angle_gamma 89.758... |
MoveTowardsAtomAction | 243d70fb-80be-4d47-924d-1bffc138e39f | mp-1175286 | Move the atom at index 10 towards the atom at index 6 by 0.232 angstrom in the cif file. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 3.011831
_cell_length_b 7.836913590000001
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_angle_beta 91.87023879000002
_cell_angle_gamma 96.3936555499... | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 3.011831
_cell_length_b 7.836913590000001
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_angle_beta 91.87023879000002
_cell_angle_gamma 96.3936555499... |
MoveTowardsAtomAction | e452873e-18c6-41de-b77b-5350b8353710 | mp-768283 | Move the atom at index 23 towards the atom at index 38 by 0.429 angstrom in the cif file. | data_image0
_chemical_formula_structural U2As4H12O22
_chemical_formula_sum "U2 As4 H12 O22"
_cell_length_a 8.08597326
_cell_length_b 8.08597326
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679679999995
_cell_angle_gamma 68.58... | data_image0
_chemical_formula_structural U2As4H12O22
_chemical_formula_sum "U2 As4 H12 O22"
_cell_length_a 8.08597326
_cell_length_b 8.08597326
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679679999995
_cell_angle_gamma 68.58... |
MoveTowardsAtomAction | c513ef30-497e-40d8-aa30-724248f8e54f | mp-774074 | Move the atom at index 24 towards the atom at index 2 by 2.926 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Sb8O22
_chemical_formula_sum "Na4 Sb8 O22"
_cell_length_a 10.5889115
_cell_length_b 10.5889115
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell_angle_gamma 42.32207167000001
_space_group... | data_image0
_chemical_formula_structural Na4Sb8O22
_chemical_formula_sum "Na4 Sb8 O22"
_cell_length_a 10.5889115
_cell_length_b 10.5889115
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell_angle_gamma 42.32207167000001
_space_group... |
MoveTowardsAtomAction | 79ded089-e28c-45ec-a667-1d08a44ed4b7 | mp-773086 | Move the atom at index 25 towards the atom at index 29 by 2.451 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.82830686
_sp... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.82830686
_sp... |
MoveTowardsAtomAction | 1d3ad7ff-679b-4b25-8ec7-305e7d2f9390 | mp-1036083 | Move the atom at index 28 towards the atom at index 6 by 2.091 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnBO16
_chemical_formula_sum "Mg14 Mn1 B1 O16"
_cell_length_a 8.533673
_cell_length_b 8.533673
_cell_length_c 4.249207
_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 Mg14MnBO16
_chemical_formula_sum "Mg14 Mn1 B1 O16"
_cell_length_a 8.533673
_cell_length_b 8.533673
_cell_length_c 4.249207
_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 | aecf480f-39a9-4ee0-a266-856980dcf828 | mp-780696 | Move the atom at index 19 towards the atom at index 12 by 0.11 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... |
MoveTowardsAtomAction | 8bfc708f-8a9e-4dbf-88e6-7a4515722f1c | mp-559286 | Move the atom at index 5 towards the atom at index 38 by 1.65 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_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 Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 94eb80ae-fa7c-4076-9fbd-6e67bbd3ad38 | mp-753161 | Move the atom at index 21 towards the atom at index 4 by 2.977 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... |
MoveTowardsAtomAction | 78469235-02f5-4767-8e2a-18a723324445 | mp-672986 | Move the atom at index 15 towards the atom at index 18 by 1.341 angstrom in the cif file. | data_image0
_chemical_formula_structural Sn4P4O16
_chemical_formula_sum "Sn4 P4 O16"
_cell_length_a 10.399244
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sn4P4O16
_chemical_formula_sum "Sn4 P4 O16"
_cell_length_a 10.399244
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | d20761eb-1074-443b-bd8b-0670cf2a07d0 | mp-756638 | Move the atom at index 9 towards the atom at index 6 by 0.69 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... |
MoveTowardsAtomAction | b0dbeb8e-ddd3-4bb5-a74a-b4fb777afcec | mp-1073590 | Move the atom at index 22 towards the atom at index 18 by 1.338 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si16
_chemical_formula_sum "Mg8 Si16"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95451084... | data_image0
_chemical_formula_structural Mg8Si16
_chemical_formula_sum "Mg8 Si16"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95451084... |
MoveTowardsAtomAction | 3864e023-a7bd-4f3f-b74f-187878f60cd9 | mp-1179444 | Move the atom at index 33 towards the atom at index 7 by 2.172 angstrom in the cif file. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_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 Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 2a2c1eef-5481-4b65-8e56-544a77da1a5c | mp-1223166 | Move the atom at index 18 towards the atom at index 4 by 2.601 angstrom in the cif file. | data_image0
_chemical_formula_structural La4FeNi3O12
_chemical_formula_sum "La4 Fe1 Ni3 O12"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_space_g... | data_image0
_chemical_formula_structural La4FeNi3O12
_chemical_formula_sum "La4 Fe1 Ni3 O12"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_space_g... |
MoveTowardsAtomAction | 029ecb1c-208e-4314-ba60-a503848e9c0c | mp-1030158 | Move the atom at index 2 towards the atom at index 9 by 2.729 angstrom in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... |
MoveTowardsAtomAction | fad72b95-71c8-48eb-bbf0-f68ea70312a7 | mp-1173920 | Move the atom at index 7 towards the atom at index 5 by 2.383 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... |
MoveTowardsAtomAction | f079c4fe-0a82-47b7-b72c-2da944833f62 | mp-1517518 | Move the atom at index 6 towards the atom at index 3 by 2.93 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCeEuCrO6
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6"
_cell_length_a 5.8690142
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural BaCeEuCrO6
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6"
_cell_length_a 5.8690142
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
MoveTowardsAtomAction | 21cd16ac-c0e6-4a4e-a17c-9def5e8b9e1f | mp-1239078 | Move the atom at index 11 towards the atom at index 4 by 1.057 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 | 97c97c6f-6a12-4564-ae51-bad1873c3c9d | mp-561527 | Move the atom at index 34 towards the atom at index 43 by 0.355 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... |
MoveTowardsAtomAction | c316bb72-fef4-4ab1-a2fb-f672d4c066de | mp-1245478 | Move the atom at index 13 towards the atom at index 12 by 1.63 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... |
MoveTowardsAtomAction | 0ae43d15-86ac-4da5-b44f-d969bbc7a2e3 | mp-1033433 | Move the atom at index 2 towards the atom at index 13 by 2.677 angstrom in the cif file. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_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 SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 8ba9cb5f-15a3-4cc0-b2fb-9733c64f8637 | mp-1518584 | Move the atom at index 0 towards the atom at index 9 by 0.529 angstrom in the cif file. | data_image0
_chemical_formula_structural SmDyCo4O12
_chemical_formula_sum "Sm1 Dy1 Co4 O12"
_cell_length_a 5.2469997
_cell_length_b 5.2469997
_cell_length_c 7.48993786
_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 SmDyCo4O12
_chemical_formula_sum "Sm1 Dy1 Co4 O12"
_cell_length_a 5.2469997
_cell_length_b 5.2469997
_cell_length_c 7.48993786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 3c9ec978-1a8f-4e48-9aca-00e0ebc21b82 | mp-2222843 | Move the atom at index 4 towards the atom at index 8 by 2.046 angstrom in the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 324fe353-d444-4c6a-b916-2b8865168aab | mp-768873 | Move the atom at index 22 towards the atom at index 6 by 0.532 angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 7ae632a0-46e6-471f-b2e3-11a1265d2434 | mp-1246911 | Move the atom at index 0 towards the atom at index 14 by 2.793 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Pb4N8
_chemical_formula_sum "Mn4 Pb4 N8"
_cell_length_a 5.843427
_cell_length_b 7.69255
_cell_length_c 5.283936
_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 Mn4Pb4N8
_chemical_formula_sum "Mn4 Pb4 N8"
_cell_length_a 5.843427
_cell_length_b 7.69255
_cell_length_c 5.283936
_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 | 1e106c91-3612-494d-a684-151497934eff | mp-778104 | Move the atom at index 24 towards the atom at index 11 by 1.406 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveTowardsAtomAction | b8d9e14b-357f-4478-af12-52887a033ce0 | mp-1032803 | Move the atom at index 9 towards the atom at index 5 by 1.677 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | df789f8a-661d-4894-a99d-be0fe2993617 | mp-708997 | Move the atom at index 38 towards the atom at index 64 by 0.142 angstrom in the cif file. | data_image0
_chemical_formula_structural H52C12N4F16
_chemical_formula_sum "H52 C12 N4 F16"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 90.7324... | data_image0
_chemical_formula_structural H52C12N4F16
_chemical_formula_sum "H52 C12 N4 F16"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 90.7324... |
MoveTowardsAtomAction | 86fe99dd-5d97-4ce4-b136-ab9effc80f9a | mp-1210133 | Move the atom at index 28 towards the atom at index 30 by 2.453 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | d81cb847-456c-46f0-b707-41501cb24632 | mp-1226187 | Move the atom at index 15 towards the atom at index 23 by 1.453 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 7fa1c3cd-b538-43df-b3a6-da16a089ab8a | mp-774789 | Move the atom at index 51 towards the atom at index 19 by 1.196 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 | 6cf0c672-d579-45f1-859c-1cac4ccf4dd7 | mp-694554 | Move the atom at index 12 towards the atom at index 5 by 1.92 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ff52711a-5f85-4bef-a66f-bcbeba5c23c9 | mp-2241417 | Move the atom at index 7 towards the atom at index 5 by 0.373 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... |
MoveTowardsAtomAction | ff007c63-9538-4a01-b94f-ebc7b0b177bd | mp-1247837 | Move the atom at index 38 towards the atom at index 26 by 1.965 angstrom in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 | 9eb3b42d-cd95-47ee-b811-a2388672d5c6 | mp-780727 | Move the atom at index 3 towards the atom at index 0 by 1.085 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... |
MoveTowardsAtomAction | 2d57ee23-739b-43c6-b269-a8637240e710 | mp-1196630 | Move the atom at index 15 towards the atom at index 43 by 2.045 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveTowardsAtomAction | 95b1ee0e-386c-47b9-97f0-7bcb1178c3ba | mp-1342607 | Move the atom at index 13 towards the atom at index 0 by 0.847 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Mo4O12
_chemical_formula_sum "Mg4 Mo4 O12"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_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 Mg4Mo4O12
_chemical_formula_sum "Mg4 Mo4 O12"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_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 | a3acbb1b-1877-41c8-b3f8-98320443e2e1 | mp-698063 | Move the atom at index 13 towards the atom at index 50 by 0.26 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... |
MoveTowardsAtomAction | 552ae719-9c86-48ae-8ae6-fade77739fc3 | mp-1030158 | Move the atom at index 11 towards the atom at index 10 by 1.751 angstrom in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... |
MoveTowardsAtomAction | cd546850-9b50-4d8e-90df-e680fb99e374 | mp-1199851 | Move the atom at index 47 towards the atom at index 0 by 2.575 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveTowardsAtomAction | 4efa2c4f-a46a-45be-bc27-54d640320112 | mp-39540 | Move the atom at index 18 towards the atom at index 0 by 1.976 angstrom in the cif file. | data_image0
_chemical_formula_structural CrSiH12O6F6
_chemical_formula_sum "Cr1 Si1 H12 O6 F6"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_space_gro... | data_image0
_chemical_formula_structural CrSiH12O6F6
_chemical_formula_sum "Cr1 Si1 H12 O6 F6"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_space_gro... |
MoveTowardsAtomAction | e636c71a-69a3-4b84-a5a4-6c9e150adee0 | mp-1095574 | Move the atom at index 0 towards the atom at index 7 by 0.766 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 | 50038d96-5616-41c4-b88d-25ef0f99f188 | mp-1021280 | Move the atom at index 13 towards the atom at index 1 by 0.947 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 | f6716857-3462-4c45-9f2a-a4d1b65ed8e6 | mp-26267 | Move the atom at index 12 towards the atom at index 2 by 0.705 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cu4P16O48
_chemical_formula_sum "Li8 Cu4 P16 O48"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_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 Li8Cu4P16O48
_chemical_formula_sum "Li8 Cu4 P16 O48"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
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