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 | 92e968f6-326e-49df-b683-0c3f6a7a1419 | mp-1224332 | Move the atom at index 3 towards the atom at index 6 by 2.254 angstrom in the cif file. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... |
MoveTowardsAtomAction | e7c41d58-fce2-4234-816d-c80c3f78f432 | mp-1026902 | Move the atom at index 1 towards the atom at index 13 by 1.286 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8d843aab-7bce-49be-85b6-31bb04e86c9c | mp-1228475 | Move the atom at index 13 towards the atom at index 39 by 2.998 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 46306b6d-d7b8-47bf-aade-8ecfe46fc878 | mp-1195795 | Move the atom at index 10 towards the atom at index 35 by 1.712 angstrom in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... |
MoveTowardsAtomAction | 4b21bcd8-8e47-42e9-b2be-0b634dfae3d1 | mp-2219699 | Move the atom at index 3 towards the atom at index 4 by 2.325 angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... |
MoveTowardsAtomAction | 9ed7cd7c-cd82-4924-8092-3d07a690b98a | mp-667336 | Move the atom at index 6 towards the atom at index 29 by 1.749 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveTowardsAtomAction | 22e69855-f85b-436e-9732-932aafadec2b | mp-1209541 | Move the atom at index 4 towards the atom at index 6 by 2.758 angstrom in the cif file. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... |
MoveTowardsAtomAction | 2d0fcd8f-8428-4243-8304-7556d9f7b770 | mp-1217947 | Move the atom at index 36 towards the atom at index 28 by 0.376 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 954af60c-9d01-4a9e-98e2-2f616fd2df37 | mp-675510 | Move the atom at index 5 towards the atom at index 6 by 2.062 angstrom in the cif file. | data_image0
_chemical_formula_structural As8Pd10Pb2
_chemical_formula_sum "As8 Pd10 Pb2"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999... | data_image0
_chemical_formula_structural As8Pd10Pb2
_chemical_formula_sum "As8 Pd10 Pb2"
_cell_length_a 19.72310211
_cell_length_b 6.816069789999999
_cell_length_c 6.88341192
_cell_angle_alpha 60.10400328000001
_cell_angle_beta 55.62289422
_cell_angle_gamma 29.595271559999... |
MoveTowardsAtomAction | 186a4b1f-b134-4776-ab98-b8410ebbbcc9 | mp-1035887 | Move the atom at index 7 towards the atom at index 16 by 2.833 angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 | 4d9b18fe-c1d5-4c35-a077-915ca86045bf | mp-510 | Move the atom at index 23 towards the atom at index 14 by 1.422 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... |
MoveTowardsAtomAction | 29e46e2e-cb27-4667-8e7f-223677bff72a | mp-754770 | Move the atom at index 10 towards the atom at index 8 by 1.72 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 941eaa3b-29e2-419f-b157-175db5513108 | mp-1201159 | Move the atom at index 10 towards the atom at index 18 by 0.252 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20
_chemical_formula_sum "Na4 Mn2 H8 Se4 O20"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na4Mn2H8Se4O20
_chemical_formula_sum "Na4 Mn2 H8 Se4 O20"
_cell_length_a 5.7906892
_cell_length_b 6.02711618
_cell_length_c 13.704505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.82983314
_space_group_name_H-M... |
MoveTowardsAtomAction | 37ae01e0-ac66-4f2d-91f6-2ce7dbbb3356 | mp-753610 | Move the atom at index 6 towards the atom at index 3 by 1.614 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 82ff9e0b-7cb4-488d-802f-2ba29eb864d6 | mp-753686 | Move the atom at index 26 towards the atom at index 5 by 0.59 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... |
MoveTowardsAtomAction | d84823f0-fe25-4ce2-b0a0-72eae646c60d | mp-695175 | Move the atom at index 60 towards the atom at index 68 by 1.007 angstrom in the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... |
MoveTowardsAtomAction | 85242eed-3307-42ed-93f5-d1fab3199e31 | mp-1442904 | Move the atom at index 9 towards the atom at index 5 by 2.907 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca2Cu2F10
_chemical_formula_sum "Ca2 Cu2 F10"
_cell_length_a 5.544288
_cell_length_b 5.55540198
_cell_length_c 7.71083208
_cell_angle_alpha 69.38132926
_cell_angle_beta 69.63660232
_cell_angle_gamma 71.15789169
_space_group_name_H-... |
MoveTowardsAtomAction | 992e14fe-e283-46c7-be24-b06b26841c88 | mp-1072993 | Move the atom at index 2 towards the atom at index 6 by 2.892 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 | 8d0b9084-0f77-4592-a3aa-56337d63d70f | mp-531661 | Move the atom at index 36 towards the atom at index 35 by 1.692 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
MoveTowardsAtomAction | 8c7e463f-efd1-458d-b619-0b7edbbcb7db | mp-1209763 | Move the atom at index 10 towards the atom at index 15 by 2.061 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 | 6728885c-99f2-4683-9646-7b9ce7941e1b | mp-618177 | Move the atom at index 9 towards the atom at index 6 by 2.283 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 | cb49c6b2-ce52-43c0-aed5-5bd011e52c9e | mp-1217947 | Move the atom at index 15 towards the atom at index 28 by 0.671 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 8e2275cd-80f5-4b8d-9706-052c386b3da4 | mp-1033433 | Move the atom at index 13 towards the atom at index 11 by 0.23 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 | 99632f7a-74f2-4afe-8f73-634c2bbc6672 | mp-1193262 | Move the atom at index 8 towards the atom at index 19 by 1.661 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Fe18Si8
_chemical_formula_sum "Ce2 Fe18 Si8"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Ce2Fe18Si8
_chemical_formula_sum "Ce2 Fe18 Si8"
_cell_length_a 7.791859
_cell_length_b 7.791859
_cell_length_c 7.97863255
_cell_angle_alpha 119.22859988999998
_cell_angle_beta 119.22859988999998
_cell_angle_gamma 90.0
_space_group_... |
MoveTowardsAtomAction | 02201a69-2992-4822-a67c-72508604c5b8 | mp-1200661 | Move the atom at index 10 towards the atom at index 50 by 0.949 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... |
MoveTowardsAtomAction | 0ca8f6e8-c48f-470e-b71c-858ef2794549 | mp-23702 | Move the atom at index 5 towards the atom at index 1 by 1.137 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... |
MoveTowardsAtomAction | 7727205e-65c5-469a-98db-8133ff02aa01 | mp-1026931 | Move the atom at index 1 towards the atom at index 10 by 2.857 angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe4S2
_chemical_formula_sum "Te2 Mo3 W1 Se4 S2"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_group_name... | data_image0
_chemical_formula_structural Te2Mo3WSe4S2
_chemical_formula_sum "Te2 Mo3 W1 Se4 S2"
_cell_length_a 3.34707973
_cell_length_b 3.34707973
_cell_length_c 38.097169
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999471999999
_space_group_name... |
MoveTowardsAtomAction | ceffe123-2475-455f-981f-940220c0bce4 | mp-2230054 | Move the atom at index 16 towards the atom at index 4 by 1.798 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... |
MoveTowardsAtomAction | 1a8546bb-c036-4c19-9c31-2c3df21b753f | mp-850249 | Move the atom at index 13 towards the atom at index 10 by 0.772 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 | 3da15ada-f3eb-4ff3-bbda-a781811dbdc7 | mp-1223914 | Move the atom at index 12 towards the atom at index 5 by 1.034 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4ZrAl15
_chemical_formula_sum "Ho4 Zr1 Al15"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 Ho4ZrAl15
_chemical_formula_sum "Ho4 Zr1 Al15"
_cell_length_a 4.207757
_cell_length_b 4.207757
_cell_length_c 21.101916
_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 | ccc9fea1-9cf3-4e4b-85c5-857d15c7f695 | mp-2231066 | Move the atom at index 7 towards the atom at index 9 by 0.556 angstrom in the cif file. | data_image0
_chemical_formula_structural K8MgTi2O8
_chemical_formula_sum "K8 Mg1 Ti2 O8"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_space_g... | data_image0
_chemical_formula_structural K8MgTi2O8
_chemical_formula_sum "K8 Mg1 Ti2 O8"
_cell_length_a 8.18203921
_cell_length_b 8.18203921
_cell_length_c 6.64335206
_cell_angle_alpha 106.62125926
_cell_angle_beta 106.62125926
_cell_angle_gamma 79.53757545999999
_space_g... |
MoveTowardsAtomAction | c82d8d0f-07ef-432c-b8a6-808c4b25693d | mp-42981 | Move the atom at index 28 towards the atom at index 41 by 2.991 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Gd4Ti4Nb4O24F4
_chemical_formula_sum "Na4 Gd4 Ti4 Nb4 O24 F4"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_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 Na4Gd4Ti4Nb4O24F4
_chemical_formula_sum "Na4 Gd4 Ti4 Nb4 O24 F4"
_cell_length_a 7.355463
_cell_length_b 7.355463
_cell_length_c 10.410171
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | d9df2a00-8a26-47c1-b4d6-a4a1947002f2 | mp-540876 | Move the atom at index 12 towards the atom at index 5 by 1.625 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 | 89f503a0-6b75-49c4-9954-53f046d4c926 | mp-676305 | Move the atom at index 24 towards the atom at index 14 by 1.934 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Sb4O18
_chemical_formula_sum "Mg8 Sb4 O18"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space_gro... | data_image0
_chemical_formula_structural Mg8Sb4O18
_chemical_formula_sum "Mg8 Sb4 O18"
_cell_length_a 5.17879035
_cell_length_b 5.5631624
_cell_length_c 11.707019670000001
_cell_angle_alpha 98.16276452
_cell_angle_beta 102.73882857
_cell_angle_gamma 90.74375438
_space_gro... |
MoveTowardsAtomAction | 03b7ac2a-4ddb-42ea-9550-87c48538806c | mp-695020 | Move the atom at index 46 towards the atom at index 0 by 0.869 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28
_chemical_formula_sum "Na8 Ga6 Si6 N2 O28"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.40421226
... | data_image0
_chemical_formula_structural Na8Ga6Si6N2O28
_chemical_formula_sum "Na8 Ga6 Si6 N2 O28"
_cell_length_a 9.22651473
_cell_length_b 9.263441159999998
_cell_length_c 9.40644479
_cell_angle_alpha 89.69481915
_cell_angle_beta 90.06347053
_cell_angle_gamma 89.40421226
... |
MoveTowardsAtomAction | b1ce1948-fd97-4e64-b448-ef952f64c713 | mp-2215902 | Move the atom at index 13 towards the atom at index 0 by 2.422 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... |
MoveTowardsAtomAction | a796def8-249f-4695-a849-61a3d56590f8 | mp-760927 | Move the atom at index 18 towards the atom at index 20 by 0.902 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 | 36c013b4-61e6-4ac4-ad64-592513fcfbfe | mp-563048 | Move the atom at index 10 towards the atom at index 0 by 1.36 angstrom in the cif file. | data_image0
_chemical_formula_structural KFe3H6S2O14
_chemical_formula_sum "K1 Fe3 H6 S2 O14"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_group_... | data_image0
_chemical_formula_structural KFe3H6S2O14
_chemical_formula_sum "K1 Fe3 H6 S2 O14"
_cell_length_a 8.5991059
_cell_length_b 8.59910613
_cell_length_c 8.59910581
_cell_angle_alpha 66.12383906
_cell_angle_beta 66.12383544
_cell_angle_gamma 66.1238335
_space_group_... |
MoveTowardsAtomAction | 0095d426-a865-42ad-97c3-d009244e942b | mp-1208067 | Move the atom at index 4 towards the atom at index 22 by 2.564 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... |
MoveTowardsAtomAction | e5389271-dca0-4da8-b864-a092c70844f9 | mp-1020707 | Move the atom at index 15 towards the atom at index 31 by 2.398 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Ge4B16O36
_chemical_formula_sum "Rb8 Ge4 B16 O36"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb8Ge4B16O36
_chemical_formula_sum "Rb8 Ge4 B16 O36"
_cell_length_a 10.066798
_cell_length_b 6.729355
_cell_length_c 13.46842072
_cell_angle_alpha 89.64486262
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8c75503d-3dd3-4860-8ea7-c343d8bd56a6 | mp-771389 | Move the atom at index 35 towards the atom at index 16 by 0.14 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... |
MoveTowardsAtomAction | 88a61e87-d3e7-4dea-8935-a33c33a77cd7 | mp-1245147 | Move the atom at index 79 towards the atom at index 14 by 1.307 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... |
MoveTowardsAtomAction | 3c3d972a-5d51-4bfd-bcba-08be1ee5a8ec | mp-1219581 | Move the atom at index 12 towards the atom at index 16 by 1.046 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Al2F12
_chemical_formula_sum "Rb2 Mg2 Al2 F12"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.148508... | data_image0
_chemical_formula_structural Rb2Mg2Al2F12
_chemical_formula_sum "Rb2 Mg2 Al2 F12"
_cell_length_a 7.15675315
_cell_length_b 7.156753149999999
_cell_length_c 7.15675315
_cell_angle_alpha 120.42557155
_cell_angle_beta 119.40563128000001
_cell_angle_gamma 90.148508... |
MoveTowardsAtomAction | c08f6549-dce9-480e-8db2-03596b872629 | mp-776732 | Move the atom at index 7 towards the atom at index 6 by 1.907 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe3F8
_chemical_formula_sum "Li2 Fe3 F8"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999994
_... | data_image0
_chemical_formula_structural Li2Fe3F8
_chemical_formula_sum "Li2 Fe3 F8"
_cell_length_a 6.2334377
_cell_length_b 6.2334377
_cell_length_c 6.233437549999999
_cell_angle_alpha 59.31060473
_cell_angle_beta 59.310604729999994
_cell_angle_gamma 59.310609109999994
_... |
MoveTowardsAtomAction | 322d0582-ba15-4939-a979-25fd1162b16a | mp-779526 | Move the atom at index 11 towards the atom at index 9 by 1.348 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... |
MoveTowardsAtomAction | b3d808a8-faa2-43d4-a1dc-764c541f9e5e | mp-776832 | Move the atom at index 65 towards the atom at index 66 by 0.723 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn7SbP12O48
_chemical_formula_sum "Mn7 Sb1 P12 O48"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
_space... | data_image0
_chemical_formula_structural Mn7SbP12O48
_chemical_formula_sum "Mn7 Sb1 P12 O48"
_cell_length_a 8.4872352
_cell_length_b 8.47984749
_cell_length_c 11.82462584
_cell_angle_alpha 90.03725513
_cell_angle_beta 89.97815392000001
_cell_angle_gamma 90.01172787
_space... |
MoveTowardsAtomAction | b1afef91-4d66-45d7-b160-d8a5cb5488d7 | mp-542493 | Move the atom at index 31 towards the atom at index 25 by 1.12 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... |
MoveTowardsAtomAction | e973682e-fb12-427a-b3ff-437a03f87a0a | mp-1811207 | Move the atom at index 4 towards the atom at index 8 by 1.15 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ti4S8
_chemical_formula_sum "Ca2 Ti4 S8"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_space... | data_image0
_chemical_formula_structural Ca2Ti4S8
_chemical_formula_sum "Ca2 Ti4 S8"
_cell_length_a 7.57230625
_cell_length_b 7.57230674
_cell_length_c 7.56058097
_cell_angle_alpha 119.44504818000001
_cell_angle_beta 121.60871166
_cell_angle_gamma 89.19031634999999
_space... |
MoveTowardsAtomAction | 36ed61ad-985e-45f9-ac87-ca897a5515c5 | mp-1045681 | Move the atom at index 56 towards the atom at index 38 by 1.295 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... |
MoveTowardsAtomAction | 974cd392-c873-44fb-a327-caabacededbb | mp-2321 | Move the atom at index 3 towards the atom at index 0 by 2.944 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb6Ge10
_chemical_formula_sum "Tb6 Ge10"
_cell_length_a 5.7646017
_cell_length_b 7.46210898
_cell_length_c 9.12937743
_cell_angle_alpha 82.99785231
_cell_angle_beta 71.59589664
_cell_angle_gamma 67.28637543
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 2e4fefc3-da4a-4f7a-89f1-bdc33e19251c | mp-1105652 | Move the atom at index 2 towards the atom at index 7 by 2.127 angstrom in the cif file. | data_image0
_chemical_formula_structural YbCo4P12
_chemical_formula_sum "Yb1 Co4 P12"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural YbCo4P12
_chemical_formula_sum "Yb1 Co4 P12"
_cell_length_a 6.71855447
_cell_length_b 6.718554469999999
_cell_length_c 6.71855447
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
MoveTowardsAtomAction | 481395ce-55f9-404d-9681-feac9552b17e | mp-570598 | Move the atom at index 11 towards the atom at index 22 by 1.587 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Si14N20
_chemical_formula_sum "Sr2 Si14 N20"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr2Si14N20
_chemical_formula_sum "Sr2 Si14 N20"
_cell_length_a 6.72778808
_cell_length_b 6.83504655
_cell_length_c 9.60918669
_cell_angle_alpha 73.85418394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | ff29024c-1eb7-4268-a365-ce014865791a | mp-1238897 | Move the atom at index 16 towards the atom at index 5 by 1.111 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... |
MoveTowardsAtomAction | 83ab8052-2114-4b55-a8f6-2f6f62c9b832 | mp-541694 | Move the atom at index 15 towards the atom at index 14 by 1.792 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Na12Si4P12
_chemical_formula_sum "K8 Na12 Si4 P12"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_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 K8Na12Si4P12
_chemical_formula_sum "K8 Na12 Si4 P12"
_cell_length_a 4.800822
_cell_length_b 13.222475
_cell_length_c 14.663715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | ed17bb24-b411-43e7-a292-a900bbab1844 | mp-2229552 | Move the atom at index 5 towards the atom at index 15 by 1.42 angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi4Zn2O10
_chemical_formula_sum "Mg1 Ti4 Zn2 O10"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgTi4Zn2O10
_chemical_formula_sum "Mg1 Ti4 Zn2 O10"
_cell_length_a 3.941108
_cell_length_b 5.45161165
_cell_length_c 11.020717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.19230556
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 9e6c4113-4c72-4c60-80c0-7252bafe2cf6 | mp-755668 | Move the atom at index 31 towards the atom at index 19 by 0.632 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn4O16
_chemical_formula_sum "Li8 Ti4 Mn4 O16"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504
_spa... | data_image0
_chemical_formula_structural Li8Ti4Mn4O16
_chemical_formula_sum "Li8 Ti4 Mn4 O16"
_cell_length_a 5.99744383
_cell_length_b 6.03957809
_cell_length_c 8.730582660000001
_cell_angle_alpha 90.00022835
_cell_angle_beta 89.99975295
_cell_angle_gamma 90.09988504
_spa... |
MoveTowardsAtomAction | 29633fb6-39fd-4c7c-8a20-934a38219e8d | mp-1233972 | Move the atom at index 26 towards the atom at index 21 by 1.352 angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... |
MoveTowardsAtomAction | 0eeae92e-9185-4e63-a460-174d035a7ee9 | mp-1213157 | Move the atom at index 7 towards the atom at index 11 by 0.137 angstrom in the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | be795fdc-df00-4a91-b021-2cf5a98f655d | mp-771567 | Move the atom at index 13 towards the atom at index 0 by 0.119 angstrom in the cif file. | data_image0
_chemical_formula_structural LiTi3MnCrP6O24
_chemical_formula_sum "Li1 Ti3 Mn1 Cr1 P6 O24"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural LiTi3MnCrP6O24
_chemical_formula_sum "Li1 Ti3 Mn1 Cr1 P6 O24"
_cell_length_a 8.62920587
_cell_length_b 8.62920587
_cell_length_c 8.62920614
_cell_angle_alpha 59.92284299999999
_cell_angle_beta 59.92284299999999
_cell_angle_gamma 59.... |
MoveTowardsAtomAction | 2c7aab05-2fe9-4f07-85b3-b5b387d02cb7 | mp-1017129 | Move the atom at index 13 towards the atom at index 15 by 2.828 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 | d0a746c4-9339-4444-9416-9b70cdcbbcf5 | mp-551214 | Move the atom at index 4 towards the atom at index 1 by 2.65 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... |
MoveTowardsAtomAction | 7197156f-d695-4284-978f-21aa755a7e3a | mp-765641 | Move the atom at index 43 towards the atom at index 6 by 0.579 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | e8b7f0d4-041b-493c-bffb-e3e327cca1b4 | mp-1045890 | Move the atom at index 11 towards the atom at index 10 by 0.3 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Co9O13
_chemical_formula_sum "Zn2 Co9 O13"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
_sp... | data_image0
_chemical_formula_structural Zn2Co9O13
_chemical_formula_sum "Zn2 Co9 O13"
_cell_length_a 5.17148885
_cell_length_b 5.17148885
_cell_length_c 16.773860490000004
_cell_angle_alpha 81.65832548
_cell_angle_beta 81.65832548
_cell_angle_gamma 32.881875320000006
_sp... |
MoveTowardsAtomAction | ce248be6-b0d3-415d-95a5-3d1924d8bda7 | mp-866871 | Move the atom at index 19 towards the atom at index 2 by 1.625 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Sn2S12
_chemical_formula_sum "Ca8 Sn2 S12"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_name_H... | data_image0
_chemical_formula_structural Ca8Sn2S12
_chemical_formula_sum "Ca8 Sn2 S12"
_cell_length_a 7.95022386
_cell_length_b 7.95022386
_cell_length_c 7.95022379
_cell_angle_alpha 90.73042548
_cell_angle_beta 90.73042548
_cell_angle_gamma 90.7304229
_space_group_name_H... |
MoveTowardsAtomAction | 9c681f96-d120-4d71-8b4a-d446e5b5bafa | mp-754722 | Move the atom at index 1 towards the atom at index 6 by 2.361 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti3MnO8
_chemical_formula_sum "Li4 Ti3 Mn1 O8"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2065633... | data_image0
_chemical_formula_structural Li4Ti3MnO8
_chemical_formula_sum "Li4 Ti3 Mn1 O8"
_cell_length_a 10.46644375
_cell_length_b 10.46641435
_cell_length_c 14.82520226
_cell_angle_alpha 19.268148019999995
_cell_angle_beta 19.267467279999984
_cell_angle_gamma 33.2065633... |
MoveTowardsAtomAction | 34eed3f1-432d-45fd-b482-7b9c237c109f | mp-1520316 | Move the atom at index 11 towards the atom at index 16 by 1.666 angstrom in the cif file. | data_image0
_chemical_formula_structural KGdNb4O12
_chemical_formula_sum "K1 Gd1 Nb4 O12"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KGdNb4O12
_chemical_formula_sum "K1 Gd1 Nb4 O12"
_cell_length_a 5.60185288
_cell_length_b 5.60185288
_cell_length_c 7.97247476
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.41459261
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | de7888ed-5a3c-4303-958c-0ded6a48b98d | mp-1042875 | Move the atom at index 3 towards the atom at index 2 by 0.445 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 6cf1d475-b40f-4bb6-ba09-2a31cafd2f1e | mp-1102196 | Move the atom at index 2 towards the atom at index 11 by 2.256 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ga4Ir4
_chemical_formula_sum "Er4 Ga4 Ir4"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_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 Er4Ga4Ir4
_chemical_formula_sum "Er4 Ga4 Ir4"
_cell_length_a 4.26142818
_cell_length_b 6.73400898
_cell_length_c 7.72532401
_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 | 4c9618fe-a7fa-47a3-bbd1-50bbc1b54dc8 | mp-1207656 | Move the atom at index 34 towards the atom at index 30 by 1.675 angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 5f6ef9df-ead2-478b-80a3-7195d025b102 | mp-28748 | Move the atom at index 4 towards the atom at index 7 by 1.421 angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Ir2I6
_chemical_formula_sum "Y6 Ir2 I6"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y6Ir2I6
_chemical_formula_sum "Y6 Ir2 I6"
_cell_length_a 4.2875557
_cell_length_b 8.80719215
_cell_length_c 12.26134567
_cell_angle_alpha 93.86336369
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 2d337abd-fd60-4a11-bd50-6e384e966729 | mp-1226677 | Move the atom at index 8 towards the atom at index 11 by 1.848 angstrom in the cif file. | data_image0
_chemical_formula_structural CeHo4S7
_chemical_formula_sum "Ce1 Ho4 S7"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
_space... | data_image0
_chemical_formula_structural CeHo4S7
_chemical_formula_sum "Ce1 Ho4 S7"
_cell_length_a 6.79201866
_cell_length_b 6.792018659999999
_cell_length_c 11.609863210000002
_cell_angle_alpha 75.80654176
_cell_angle_beta 75.80654176
_cell_angle_gamma 32.62256165
_space... |
MoveTowardsAtomAction | b9f114f5-5288-4125-a2c7-301263e1925a | mp-768873 | Move the atom at index 31 towards the atom at index 10 by 2.179 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 | 9c7f0dcb-fa3d-4688-8afa-894aa1259dfa | mp-1205559 | Move the atom at index 7 towards the atom at index 0 by 1.654 angstrom in the cif file. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | bfdb473e-96f6-4665-969f-20eee5470ec4 | mp-1201107 | Move the atom at index 18 towards the atom at index 7 by 1.642 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... |
MoveTowardsAtomAction | d6dd80a9-686d-44bf-aac9-fad5e5272c0f | mp-1228192 | Move the atom at index 6 towards the atom at index 3 by 1.301 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... |
MoveTowardsAtomAction | 9d9b7964-bbd2-4082-a745-146ca8a6ac80 | mp-770527 | Move the atom at index 25 towards the atom at index 18 by 1.017 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 886ef6c0-fb49-472c-a44e-9a6d7bb9db33 | mp-1080028 | Move the atom at index 0 towards the atom at index 8 by 2.891 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... |
MoveTowardsAtomAction | 591097ca-c96a-4f2d-9fbe-deba9b5df47f | mp-1048821 | Move the atom at index 20 towards the atom at index 10 by 2.227 angstrom in the cif file. | data_image0
_chemical_formula_structural Al4Fe12O24
_chemical_formula_sum "Al4 Fe12 O24"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Al4Fe12O24
_chemical_formula_sum "Al4 Fe12 O24"
_cell_length_a 5.95108543
_cell_length_b 5.951085429999999
_cell_length_c 14.62563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999368
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 93880607-a6f4-426c-ab99-2107537d7d8e | mp-559790 | Move the atom at index 7 towards the atom at index 14 by 0.412 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... |
MoveTowardsAtomAction | 71514a82-71dd-4fb5-bcd7-a9357050b573 | mp-680113 | Move the atom at index 27 towards the atom at index 5 by 2.068 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 14924e1c-8fbc-4543-8e0d-5e1d4c1b4456 | mp-759788 | Move the atom at index 10 towards the atom at index 0 by 1.905 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2O6F2
_chemical_formula_sum "Li4 V2 O6 F2"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_space_grou... | data_image0
_chemical_formula_structural Li4V2O6F2
_chemical_formula_sum "Li4 V2 O6 F2"
_cell_length_a 5.050479
_cell_length_b 5.21350892
_cell_length_c 5.795580870000001
_cell_angle_alpha 91.05051643
_cell_angle_beta 91.29622969
_cell_angle_gamma 111.69033657
_space_grou... |
MoveTowardsAtomAction | fd78c8ba-e0aa-4bfc-8cc6-5b7bc240829f | mp-1218107 | Move the atom at index 3 towards the atom at index 2 by 2.998 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 | 0141bd11-d797-4323-aa1e-ce95d1e386a6 | mp-1202046 | Move the atom at index 28 towards the atom at index 19 by 0.487 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | e13b690f-0f56-48d5-aa83-b77d6a762014 | mp-770417 | Move the atom at index 10 towards the atom at index 23 by 2.214 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... |
MoveTowardsAtomAction | d16dba39-8c62-4040-bb0f-b14b3f637287 | mp-19420 | Move the atom at index 2 towards the atom at index 3 by 2.166 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgWO6
_chemical_formula_sum "Sr2 Mg1 W1 O6"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.3352761699999... | data_image0
_chemical_formula_structural Sr2MgWO6
_chemical_formula_sum "Sr2 Mg1 W1 O6"
_cell_length_a 5.60954906
_cell_length_b 5.60954906
_cell_length_c 5.60954906
_cell_angle_alpha 120.38451769000001
_cell_angle_beta 120.38451769000004
_cell_angle_gamma 89.3352761699999... |
MoveTowardsAtomAction | cf06b691-75a3-499e-be52-b81265651ee8 | mp-570466 | Move the atom at index 2 towards the atom at index 8 by 1.986 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 479b53cf-d907-4a35-859b-127f39089916 | mp-1221954 | Move the atom at index 0 towards the atom at index 8 by 2.899 angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... |
MoveTowardsAtomAction | b71a846e-9100-4e3c-9976-e89d0f7e7b3a | mp-1229180 | Move the atom at index 18 towards the atom at index 3 by 1.639 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
MoveTowardsAtomAction | 1beb2430-739c-4962-abb3-e38ff715f908 | mp-1232387 | Move the atom at index 3 towards the atom at index 22 by 2.161 angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 | 25b046ff-8bcd-49a0-8a47-60b929450f79 | mp-1216954 | Move the atom at index 11 towards the atom at index 12 by 1.529 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
MoveTowardsAtomAction | 5db7f209-0805-41f5-ad7a-d861c4246398 | mp-2426125 | Move the atom at index 20 towards the atom at index 3 by 1.533 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... |
MoveTowardsAtomAction | 45f7c087-8e6d-42b5-98c1-1387b1c181b9 | mp-1174883 | Move the atom at index 22 towards the atom at index 16 by 0.463 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.09190036
_cell_length_b 5.09190036
_cell_length_c 18.027240309999996
_cell_angle_alpha 83.42724665
_cell_angle_beta 83.42724665
_cell_angle_gamma 32.6933560999999... |
MoveTowardsAtomAction | 4c7a0d84-3996-427c-ab34-ff52ecce0725 | mp-1106406 | Move the atom at index 1 towards the atom at index 7 by 2.012 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 Ce4Sn2S10
_chemical_formula_sum "Ce4 Sn2 S10"
_cell_length_a 3.93351799
_cell_length_b 7.87728947
_cell_length_c 11.4720556
_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 | 0d428004-a1b8-4f07-bcc5-ccb9f084e36e | mp-541006 | Move the atom at index 25 towards the atom at index 15 by 2.847 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Tl4V4O16
_chemical_formula_sum "Ba4 Tl4 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_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 Ba4Tl4V4O16
_chemical_formula_sum "Ba4 Tl4 V4 O16"
_cell_length_a 6.013787
_cell_length_b 8.022234
_cell_length_c 10.631409
_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 | efef8068-543b-4948-ad47-67ca925f0622 | mp-1211876 | Move the atom at index 34 towards the atom at index 72 by 0.397 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Hf24C4Cl60
_chemical_formula_sum "K4 Hf24 C4 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_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 K4Hf24C4Cl60
_chemical_formula_sum "K4 Hf24 C4 Cl60"
_cell_length_a 9.739911
_cell_length_b 13.94139
_cell_length_c 18.577338
_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 | 0597a9af-5bfb-4ef2-b631-8e975c074951 | mp-2232781 | Move the atom at index 5 towards the atom at index 15 by 2.492 angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... |
MoveTowardsAtomAction | 0b1e1079-d1a7-4cb8-be2b-bed3cc1df6dc | mp-1211275 | Move the atom at index 6 towards the atom at index 2 by 0.566 angstrom in the cif file. | data_image0
_chemical_formula_structural KMg3Si4O12
_chemical_formula_sum "K1 Mg3 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group... | data_image0
_chemical_formula_structural KMg3Si4O12
_chemical_formula_sum "K1 Mg3 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group... |
MoveTowardsAtomAction | f50379ae-830f-4625-b810-7e1c53da7dfe | mp-568136 | Move the atom at index 4 towards the atom at index 8 by 2.905 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... |
MoveTowardsAtomAction | 9a3d84da-747e-44bc-a397-7f74bac6bb00 | mp-765621 | Move the atom at index 12 towards the atom at index 9 by 0.751 angstrom in the cif file. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 | cd87d16b-9889-45a1-8c23-0405c4ee8e3b | mp-1104730 | Move the atom at index 4 towards the atom at index 12 by 1.973 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Ni8Sn4
_chemical_formula_sum "Sm2 Ni8 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... | data_image0
_chemical_formula_structural Sm2Ni8Sn4
_chemical_formula_sum "Sm2 Ni8 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... |
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