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 | 6b44bec6-e42c-4337-a2c0-2698ec67fcff | mp-1213210 | Move the atom at index 34 towards the atom at index 24 by 1.206 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... | data_image0
_chemical_formula_structural Dy4Au10F42
_chemical_formula_sum "Dy4 Au10 F42"
_cell_length_a 8.107794
_cell_length_b 9.192033930000001
_cell_length_c 12.15973612
_cell_angle_alpha 89.14093032999999
_cell_angle_beta 88.92043854
_cell_angle_gamma 88.90685491999999... |
MoveTowardsAtomAction | c2471c01-e7e7-42ef-9d0f-9a8ca5f4f507 | mp-30949 | Move the atom at index 4 towards the atom at index 1 by 1.057 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr12Si4O4
_chemical_formula_sum "Sr12 Si4 O4"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_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 Sr12Si4O4
_chemical_formula_sum "Sr12 Si4 O4"
_cell_length_a 7.15066135
_cell_length_b 7.13016274
_cell_length_c 10.10705953
_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 | 0f8684e5-a8c2-421c-b76e-17e4bb2cb4cd | mp-1210185 | Move the atom at index 0 towards the atom at index 2 by 2.065 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Y2Ir3O12
_chemical_formula_sum "Na4 Y2 Ir3 O12"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na4Y2Ir3O12
_chemical_formula_sum "Na4 Y2 Ir3 O12"
_cell_length_a 9.48034113
_cell_length_b 9.48034113
_cell_length_c 3.208925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389999999
_space_group_name_H-M_... |
MoveTowardsAtomAction | f4ecf4c7-aa32-49b3-b538-a0fa7751209a | mp-1210964 | Move the atom at index 21 towards the atom at index 35 by 2.71 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_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 Lu12Cr4S24
_chemical_formula_sum "Lu12 Cr4 S24"
_cell_length_a 3.68271924
_cell_length_b 13.08619279
_cell_length_c 15.65805516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | befae656-37a7-40ea-b743-2959f9348169 | mp-771123 | Move the atom at index 6 towards the atom at index 8 by 2.102 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 3dd80f3b-d2e9-41fa-85b5-730c5f81d346 | mp-1079648 | Move the atom at index 5 towards the atom at index 8 by 2.39 angstrom in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | 2559d86a-5467-44f4-9602-96c8c27c23d2 | mp-1213759 | Move the atom at index 43 towards the atom at index 6 by 1.549 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs12Ir4Br24O4
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_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 Cs12Ir4Br24O4
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | bbec1d96-fc39-4a1d-9800-a9df8b0fc4aa | mp-780696 | Move the atom at index 24 towards the atom at index 31 by 2.257 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 | 02cc250a-492d-4b85-941e-34af3a375817 | mp-630927 | Move the atom at index 7 towards the atom at index 5 by 0.11 angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveTowardsAtomAction | 90667d0e-c78b-4401-873e-54d890074775 | mp-1028424 | Move the atom at index 11 towards the atom at index 8 by 0.998 angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 2d536407-910c-4382-a142-aae37dea881a | mp-1517031 | Move the atom at index 36 towards the atom at index 21 by 1.72 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_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 Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 16b26f93-acac-4ba8-8af3-4641e16136b8 | mp-1233325 | Move the atom at index 15 towards the atom at index 9 by 1.83 angstrom in the cif file. | data_image0
_chemical_formula_structural CaEr4Zr4O14
_chemical_formula_sum "Ca1 Er4 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8756690... | data_image0
_chemical_formula_structural CaEr4Zr4O14
_chemical_formula_sum "Ca1 Er4 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8756690... |
MoveTowardsAtomAction | d26240cc-cdba-48ea-a71f-fc050098eb02 | mp-1026556 | Move the atom at index 12 towards the atom at index 0 by 2.574 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | c03d42de-0aa2-4377-8598-1e139c2a18f8 | mp-5996 | Move the atom at index 33 towards the atom at index 15 by 2.484 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 685b5387-6b6f-4f08-83e5-2e7671d2bb2f | mp-1182991 | Move the atom at index 15 towards the atom at index 14 by 1.947 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Te2O12
_chemical_formula_sum "Ag4 Te2 O12"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_spac... | data_image0
_chemical_formula_structural Ag4Te2O12
_chemical_formula_sum "Ag4 Te2 O12"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_spac... |
MoveTowardsAtomAction | 0d51a048-a265-4655-ab5f-6b3ec53d8221 | mp-1202294 | Move the atom at index 77 towards the atom at index 78 by 0.306 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni8P16H16O56
_chemical_formula_sum "Ni8 P16 H16 O56"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ni8P16H16O56
_chemical_formula_sum "Ni8 P16 H16 O56"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 58623b32-2d85-4589-ba0c-08fb5665eaf5 | mp-1232032 | Move the atom at index 16 towards the atom at index 8 by 1.436 angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_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 Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_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 | 749cdd3c-d45b-4700-8f1f-670a7553d11b | mp-1247313 | Move the atom at index 22 towards the atom at index 26 by 2.078 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveTowardsAtomAction | 5456b820-6d2a-4a8a-b4cd-410120c9412b | mp-16623 | Move the atom at index 8 towards the atom at index 3 by 1.673 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... |
MoveTowardsAtomAction | d19680b7-5dc2-4ec0-8f6b-10426784701e | mp-756744 | Move the atom at index 10 towards the atom at index 19 by 2.545 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... |
MoveTowardsAtomAction | a41465b2-c252-4461-9a0f-b81406ec66b9 | mp-558350 | Move the atom at index 31 towards the atom at index 24 by 0.422 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 09638f00-5aee-4284-ab15-e8e371ee5050 | mp-540876 | Move the atom at index 10 towards the atom at index 19 by 1.811 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... |
MoveTowardsAtomAction | d5341bf0-294e-4b00-98e3-a4a77b50484d | mp-20083 | Move the atom at index 4 towards the atom at index 3 by 1.247 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 | 379f6009-983a-4141-982d-dd4c77ee5c59 | mp-1103834 | Move the atom at index 8 towards the atom at index 12 by 2.065 angstrom in the cif file. | data_image0
_chemical_formula_structural LiMo6S8
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0206... | data_image0
_chemical_formula_structural LiMo6S8
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0206... |
MoveTowardsAtomAction | 67f2b51b-4697-4172-923b-a6f60f64cd63 | mp-763481 | Move the atom at index 1 towards the atom at index 4 by 2.295 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Co4O24
_chemical_formula_sum "Nb8 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_name_H... | data_image0
_chemical_formula_structural Nb8Co4O24
_chemical_formula_sum "Nb8 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_name_H... |
MoveTowardsAtomAction | 50f16fb5-31a7-4459-b51e-930048b08ef6 | mp-1095677 | Move the atom at index 10 towards the atom at index 3 by 2.886 angstrom in the cif file. | data_image0
_chemical_formula_structural Np4Sb8
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Np4Sb8
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 52d34716-3492-4582-a2c0-39c0dbaca0c2 | mp-997504 | Move the atom at index 10 towards the atom at index 1 by 0.892 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 | 60c310a2-3204-46f2-92fb-fbef26bbb36e | mp-5169 | Move the atom at index 18 towards the atom at index 26 by 2.867 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... |
MoveTowardsAtomAction | 57adb786-a493-4170-a4d6-b464f95d8440 | mp-673174 | Move the atom at index 7 towards the atom at index 5 by 2.062 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... |
MoveTowardsAtomAction | 9e5d40a3-35af-40d9-8ab5-076874e65fde | mp-637030 | Move the atom at index 5 towards the atom at index 0 by 1.608 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... |
MoveTowardsAtomAction | 418a6e71-bdc5-4323-bbc8-30555be2b5d6 | mp-753244 | Move the atom at index 6 towards the atom at index 8 by 0.67 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... |
MoveTowardsAtomAction | 43016836-f2a0-4577-ae43-0bdc06d67b3f | mp-3347425 | Move the atom at index 6 towards the atom at index 31 by 1.703 angstrom in the cif file. | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18
_chemical_formula_sum "Na9 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_group_n... | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18
_chemical_formula_sum "Na9 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_group_n... |
MoveTowardsAtomAction | 9e3faa54-d261-48ad-99f1-a75acbc8792e | mp-2824 | Move the atom at index 0 towards the atom at index 7 by 2.705 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 | 4021f6ee-a945-4751-a301-572612891fa6 | mp-1189263 | Move the atom at index 7 towards the atom at index 4 by 2.454 angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 83ab1a86-2ac8-4e87-947a-4e6d6b8d7cf0 | mp-1106129 | Move the atom at index 11 towards the atom at index 10 by 2.826 angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 | 4075d0e3-f8cd-4710-9bcf-01f243dd5104 | mp-1043568 | Move the atom at index 4 towards the atom at index 21 by 2.831 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4P4O20
_chemical_formula_sum "Ta4 P4 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space_... | data_image0
_chemical_formula_structural Ta4P4O20
_chemical_formula_sum "Ta4 P4 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space_... |
MoveTowardsAtomAction | 2b5472d3-1582-486f-9dcd-f0fb818c771b | mp-1043165 | Move the atom at index 30 towards the atom at index 20 by 1.282 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24
_chemical_formula_sum "Ca4 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.5279128
_sp... | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24
_chemical_formula_sum "Ca4 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.5279128
_sp... |
MoveTowardsAtomAction | 39c08380-124d-490a-8757-c98b3265895c | mp-1218107 | Move the atom at index 2 towards the atom at index 1 by 0.35 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 6c3c0e72-bdd0-4f80-86ba-53ef4803ba55 | mp-1104551 | Move the atom at index 0 towards the atom at index 1 by 1.755 angstrom in the cif file. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... |
MoveTowardsAtomAction | de965f74-373e-4839-bb8f-39e11724df80 | mp-1047012 | Move the atom at index 5 towards the atom at index 24 by 1.692 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16
_chemical_formula_sum "Ca4 Nb4 Ni2 O16"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909123379... | data_image0
_chemical_formula_structural Ca4Nb4Ni2O16
_chemical_formula_sum "Ca4 Nb4 Ni2 O16"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909123379... |
MoveTowardsAtomAction | 5814b9bd-fd2c-4662-b519-5bf51d49bd62 | mp-1017477 | Move the atom at index 12 towards the atom at index 15 by 1.123 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | 127cf6c5-6b59-4b95-b902-cc4ef3a7bd8b | mp-1211269 | Move the atom at index 1 towards the atom at index 19 by 0.169 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Al20Ru4
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La2Al20Ru4
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_H-M_al... |
MoveTowardsAtomAction | a12b32ea-6852-4865-afb2-f209a4b39ea4 | mp-1246779 | Move the atom at index 24 towards the atom at index 17 by 1.281 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
MoveTowardsAtomAction | 7a733d77-4421-43e3-b8eb-0fa63d6b50ce | mp-731924 | Move the atom at index 29 towards the atom at index 18 by 1.338 angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 | f118d878-8978-46cb-a96a-cadc1a7b8a1b | mp-722271 | Move the atom at index 14 towards the atom at index 52 by 2.262 angstrom in the cif file. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 42c65234-9b9d-4c80-93d2-698277ac16f8 | mp-757164 | Move the atom at index 0 towards the atom at index 13 by 2.436 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_group_n... |
MoveTowardsAtomAction | dc8defdb-38ca-42a4-bca2-98bdf99a8e23 | mp-698711 | Move the atom at index 35 towards the atom at index 0 by 2.373 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr9 Nd1 Fe5 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_space... | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr9 Nd1 Fe5 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_space... |
MoveTowardsAtomAction | d577922c-5eef-410d-b0b0-fbe289da1a66 | mp-1017129 | Move the atom at index 7 towards the atom at index 4 by 0.803 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 | dbfd30b0-3fdd-4479-862f-4e1458b1e058 | mp-1366748 | Move the atom at index 4 towards the atom at index 11 by 0.929 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr2P4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_space_... | data_image0
_chemical_formula_structural Li4Cr2P4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_space_... |
MoveTowardsAtomAction | 896b341c-2cca-4bc9-9e4e-2f243dea13e8 | mp-1227760 | Move the atom at index 43 towards the atom at index 11 by 1.238 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space_group... | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space_group... |
MoveTowardsAtomAction | f729a427-ae7e-4184-bbed-79ea20ebd3eb | mp-1213886 | Move the atom at index 6 towards the atom at index 26 by 2.173 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 6e3216ac-620d-45c8-bfee-363c43f27991 | mp-33255 | Move the atom at index 17 towards the atom at index 15 by 2.586 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... |
MoveTowardsAtomAction | 59a88844-b680-4bde-a11d-4dce1b69c930 | mp-29249 | Move the atom at index 21 towards the atom at index 19 by 0.989 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 | 082c4a12-9244-4fd2-9b95-b033ae787d5c | mp-1208926 | Move the atom at index 19 towards the atom at index 20 by 2.781 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Ga18Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_group_na... | data_image0
_chemical_formula_structural Sm4Ga18Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_group_na... |
MoveTowardsAtomAction | ce1e41f3-fb61-40ae-9859-244accbb8dab | mp-1225219 | Move the atom at index 8 towards the atom at index 5 by 1.473 angstrom in the cif file. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 01c36904-386c-49ab-b939-3a4b1e1610ef | mp-6632 | Move the atom at index 17 towards the atom at index 3 by 1.462 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... |
MoveTowardsAtomAction | 2cd1a6fd-276a-46cc-a76f-34f28520414d | mp-21705 | Move the atom at index 41 towards the atom at index 26 by 0.838 angstrom in the cif file. | data_image0
_chemical_formula_structural K8In12Ag4Se24
_chemical_formula_sum "K8 In12 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89.88291... | data_image0
_chemical_formula_structural K8In12Ag4Se24
_chemical_formula_sum "K8 In12 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89.88291... |
MoveTowardsAtomAction | e1d4b12c-3190-4fad-a15a-76300a83483a | mp-754552 | Move the atom at index 12 towards the atom at index 16 by 1.171 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn4B4O12
_chemical_formula_sum "Li3 Mn4 B4 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_name... | data_image0
_chemical_formula_structural Li3Mn4B4O12
_chemical_formula_sum "Li3 Mn4 B4 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_name... |
MoveTowardsAtomAction | 9ff691e3-14dd-4159-ab26-6409f815132e | mp-1214888 | Move the atom at index 26 towards the atom at index 0 by 2.793 angstrom in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... |
MoveTowardsAtomAction | bcd53618-7523-404c-b297-c656074f3c6e | mp-1233053 | Move the atom at index 16 towards the atom at index 17 by 2.764 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... |
MoveTowardsAtomAction | 95d8ab80-52d2-46e4-bb5e-b9ef9145036d | mp-2227274 | Move the atom at index 3 towards the atom at index 0 by 0.877 angstrom in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... |
MoveTowardsAtomAction | 52d285b2-db6c-4cd1-b71f-00f2d20f076f | mp-1191832 | Move the atom at index 6 towards the atom at index 9 by 2.978 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 43a37e52-042b-4734-bf48-dc958d73f32b | mp-1200783 | Move the atom at index 54 towards the atom at index 62 by 2.978 angstrom in the cif file. | data_image0
_chemical_formula_structural K4B24S16Cl24O32
_chemical_formula_sum "K4 B24 S16 Cl24 O32"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K4B24S16Cl24O32
_chemical_formula_sum "K4 B24 S16 Cl24 O32"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveTowardsAtomAction | ad9fc595-bfd1-41e6-989e-b06825451f17 | mp-1219284 | Move the atom at index 0 towards the atom at index 6 by 1.201 angstrom in the cif file. | data_image0
_chemical_formula_structural ScNbPb2O6
_chemical_formula_sum "Sc1 Nb1 Pb2 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural ScNbPb2O6
_chemical_formula_sum "Sc1 Nb1 Pb2 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | f77c1e69-b52d-480d-8e42-5996ee3e5404 | mp-541520 | Move the atom at index 14 towards the atom at index 21 by 0.496 angstrom in the cif file. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 74fa4096-bacf-4c88-97db-d8438b39982a | mp-558208 | Move the atom at index 21 towards the atom at index 2 by 1.558 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... |
MoveTowardsAtomAction | d499d1dd-c87d-4ba9-9ece-0e8273d20570 | mp-561165 | Move the atom at index 47 towards the atom at index 30 by 2.263 angstrom in the cif file. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 68a66d51-e88f-4470-8b35-c220919066f5 | mp-16136 | Move the atom at index 18 towards the atom at index 16 by 1.148 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... |
MoveTowardsAtomAction | f6cf23b7-7c7e-42a6-a067-e18628d559f3 | mp-1178577 | Move the atom at index 0 towards the atom at index 6 by 0.298 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Fe4O12
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.998490... | data_image0
_chemical_formula_structural Al4Fe4O12
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.998490... |
MoveTowardsAtomAction | 8bcbf157-673a-494f-8c10-dfdfb7bb26b4 | mp-1234848 | Move the atom at index 17 towards the atom at index 25 by 1.33 angstrom in the cif file. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... |
MoveTowardsAtomAction | 757faacc-994a-4687-9e88-48b4cf847845 | mp-1193201 | Move the atom at index 5 towards the atom at index 9 by 1.157 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd12Se12N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_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 Gd12Se12N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | e1c682eb-960f-4aa6-b872-f2d5f68fb09e | mp-1192980 | Move the atom at index 0 towards the atom at index 13 by 2.524 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb10In8Pd4
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_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 Tb10In8Pd4
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_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 | 6f8fcf4a-abed-4981-b215-6dd896018400 | mp-1030516 | Move the atom at index 1 towards the atom at index 8 by 0.899 angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_na... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_na... |
MoveTowardsAtomAction | 814bb386-f6ef-4a98-92e3-596f90ffa6b8 | mp-1111200 | Move the atom at index 7 towards the atom at index 3 by 2.405 angstrom in the cif file. | data_image0
_chemical_formula_structural K2TlAsI6
_chemical_formula_sum "K2 Tl1 As1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TlAsI6
_chemical_formula_sum "K2 Tl1 As1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 5fd0b7d7-21fc-421d-a1c9-7ca76cef0c44 | mp-545706 | Move the atom at index 5 towards the atom at index 0 by 1.706 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... |
MoveTowardsAtomAction | 80e281ee-9790-40e7-bc78-684f9656f467 | mp-1523289 | Move the atom at index 9 towards the atom at index 7 by 1.677 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... |
MoveTowardsAtomAction | 3aed9e10-a837-432e-9091-2b9ba4fffbfc | mp-559163 | Move the atom at index 39 towards the atom at index 13 by 0.11 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... |
MoveTowardsAtomAction | 2f660335-7631-4d81-892d-14c1c7526739 | mp-1176298 | Move the atom at index 19 towards the atom at index 28 by 2.167 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144918... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144918... |
MoveTowardsAtomAction | 33c79631-77fc-4e59-9974-c14cd984ff58 | mp-550300 | Move the atom at index 14 towards the atom at index 4 by 2.528 angstrom in the cif file. | data_image0
_chemical_formula_structural RbNa7Co2O6
_chemical_formula_sum "Rb1 Na7 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.360227630000004
... | data_image0
_chemical_formula_structural RbNa7Co2O6
_chemical_formula_sum "Rb1 Na7 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.360227630000004
... |
MoveTowardsAtomAction | e37a145a-7a80-40f1-99a0-dbc284d502e7 | mp-1208371 | Move the atom at index 16 towards the atom at index 32 by 2.07 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 | 0c2b55de-9227-463e-816c-a08d13e955ab | mp-757215 | Move the atom at index 1 towards the atom at index 16 by 0.446 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd5As2O12
_chemical_formula_sum "Gd5 As2 O12"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_group_... | data_image0
_chemical_formula_structural Gd5As2O12
_chemical_formula_sum "Gd5 As2 O12"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_group_... |
MoveTowardsAtomAction | 95234c84-17fe-4b38-a069-7d0a59f8c00b | mp-22244 | Move the atom at index 8 towards the atom at index 9 by 2.804 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd2Cr2O8
_chemical_formula_sum "Gd2 Cr2 O8"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3140512... | data_image0
_chemical_formula_structural Gd2Cr2O8
_chemical_formula_sum "Gd2 Cr2 O8"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3140512... |
MoveTowardsAtomAction | 8a34a0ba-84ff-42f5-afde-e75e6e68aff1 | mp-643934 | Move the atom at index 11 towards the atom at index 10 by 1.492 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2H4C4O8
_chemical_formula_sum "Cu2 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cu2H4C4O8
_chemical_formula_sum "Cu2 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 835596f8-84f9-4b5f-8939-621a72e3b8c4 | mp-1667139 | Move the atom at index 50 towards the atom at index 17 by 0.786 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... |
MoveTowardsAtomAction | ef7019ae-ca7a-47e0-88e1-3048354160fb | mp-1508 | Move the atom at index 21 towards the atom at index 18 by 0.197 angstrom in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 | 4e6dceae-08bc-4f0f-aff4-15b56ef62a5d | mp-759889 | Move the atom at index 13 towards the atom at index 43 by 2.324 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790404
_... | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790404
_... |
MoveTowardsAtomAction | 9d469375-2820-46cb-84c3-36406eb64b0f | mp-29249 | Move the atom at index 11 towards the atom at index 5 by 1.694 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 | 1ca6a267-8d53-4c23-adf5-8241696529ac | mp-1178619 | Move the atom at index 5 towards the atom at index 13 by 2.64 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... |
MoveTowardsAtomAction | e06a1618-acf7-4017-b1cc-28c8482b4059 | mp-1072993 | Move the atom at index 15 towards the atom at index 16 by 2.324 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... |
MoveTowardsAtomAction | 3cf8bb11-e1c0-4e39-90c2-194d51322384 | mp-776005 | Move the atom at index 8 towards the atom at index 12 by 1.049 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4FeBiTe2O12
_chemical_formula_sum "Li4 Fe1 Bi1 Te2 O12"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.7893311... | data_image0
_chemical_formula_structural Li4FeBiTe2O12
_chemical_formula_sum "Li4 Fe1 Bi1 Te2 O12"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.7893311... |
MoveTowardsAtomAction | 21b93e41-6753-4dfb-b0a4-0bb99f8d8a2b | mp-723254 | Move the atom at index 24 towards the atom at index 2 by 2.66 angstrom in the cif file. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... |
MoveTowardsAtomAction | 31b7f957-d03a-4a23-ae09-ce313e28c06c | mp-1112440 | Move the atom at index 6 towards the atom at index 9 by 0.397 angstrom in the cif file. | data_image0
_chemical_formula_structural K2AlAuCl6
_chemical_formula_sum "K2 Al1 Au1 Cl6"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2AlAuCl6
_chemical_formula_sum "K2 Al1 Au1 Cl6"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 311bfc8e-4587-4c7b-9154-23696b238b25 | mp-1224356 | Move the atom at index 7 towards the atom at index 1 by 2.502 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... |
MoveTowardsAtomAction | bba68ed8-5530-4cd8-97e3-2e3833b6ac35 | mp-1147652 | Move the atom at index 8 towards the atom at index 2 by 0.679 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2Mn4O8
_chemical_formula_sum "Ho2 Mn4 O8"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.256611459... | data_image0
_chemical_formula_structural Ho2Mn4O8
_chemical_formula_sum "Ho2 Mn4 O8"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.256611459... |
MoveTowardsAtomAction | ec82376c-d8e8-4eab-9622-5fdf6d9712ce | mp-770592 | Move the atom at index 18 towards the atom at index 25 by 1.238 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... |
MoveTowardsAtomAction | 04c4b2e5-e0d4-48c3-a186-458b09e94e70 | mp-758001 | Move the atom at index 5 towards the atom at index 6 by 0.111 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 | b29eea1a-ba11-43bf-8130-71786b24a166 | mp-672256 | Move the atom at index 23 towards the atom at index 0 by 0.94 angstrom in the cif file. | data_image0
_chemical_formula_structural Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 | 9b7eacab-2b88-4f9e-8737-070dc1fffd13 | mp-1096957 | Move the atom at index 32 towards the atom at index 25 by 0.713 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 | 6afa88df-9645-44f4-b37b-1919959a3cce | mp-935148 | Move the atom at index 35 towards the atom at index 18 by 2.228 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... |
MoveTowardsAtomAction | 33a35c15-3dfa-4b7f-a188-ec2fa87f4299 | mp-755023 | Move the atom at index 5 towards the atom at index 3 by 0.978 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.