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{
"id": "mp-1311767",
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"structure_string": "Li4 Co4 Sn4 O16\n1.0\n-3.184818 -5.329522 -0.045747\n-3.184776 1.819881 5.009316\n-6.182800 3.397155 -4.803847\nLi Co Sn O\n4 4 4 16\ndirect\n0.248228 0.501158 0.374848 Li\n0.749043 0.001780 0.875138 Li\n0.752134 0.497779 0.625020 Li\n0.251768 0.998108 0.125011 Li\n0.498966 0.998445 0.500248 Co\n0.251698 0.751004 0.749822 Co\n0.998997 0.498782 0.999866 Co\n0.751194 0.251056 0.250055 Co\n0.749854 0.750374 0.250077 Sn\n0.250012 0.250534 0.749817 Sn\n0.999545 0.999984 0.500205 Sn\n0.499604 0.500122 0.999917 Sn\n0.022033 0.500230 0.772159 O\n0.521885 0.000107 0.272387 O\n0.749688 0.228030 0.477872 O\n0.249937 0.727896 0.977630 O\n0.249141 0.771183 0.521030 O\n0.749044 0.271282 0.021204 O\n0.978561 0.500963 0.228740 O\n0.478932 0.000946 0.728932 O\n0.978080 0.997579 0.254810 O\n0.478484 0.497473 0.754606 O\n0.752555 0.771466 0.495455 O\n0.252437 0.271879 0.995199 O\n0.246980 0.227881 0.504696 O\n0.747116 0.728089 0.004852 O\n0.022242 0.002906 0.745286 O\n0.521840 0.502967 0.245117 O\n",
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{
"id": "mp-568539",
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"structure_string": "La3 In3 Rh3\n1.0\n3.854360 -6.675947 0.000000\n3.854360 6.675947 0.000000\n0.000000 0.000000 4.141006\nLa In Rh\n3 3 3\ndirect\n0.000000 0.585864 0.500000 La\n0.585864 0.000000 0.500000 La\n0.414136 0.414136 0.500000 La\n0.000000 0.245886 0.000000 In\n0.245886 0.000000 0.000000 In\n0.754114 0.754114 0.000000 In\n0.000000 0.000000 0.500000 Rh\n0.666667 0.333333 0.000000 Rh\n0.333333 0.666667 0.000000 Rh\n",
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"formula_full": "La3 In3 Rh3",
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"updated_at": "2021-11-28T01:34:42.320000Z",
"spacegroup": 189
},
{
"id": "mp-1217256",
"created_at": "2022-09-04T14:39:44.452795Z",
"structure_string": "Ti2 Cr1 In3 O6\n1.0\n5.044886 2.906623 0.000000\n-5.044886 2.906623 0.000000\n0.000000 1.918012 6.132933\nTi Cr In O\n2 1 3 6\ndirect\n0.167944 0.832056 0.500000 Ti\n0.832056 0.167944 0.500000 Ti\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 In\n0.336287 0.663713 0.000000 In\n0.663713 0.336287 0.000000 In\n0.726063 0.063949 0.818341 O\n0.063949 0.726063 0.818341 O\n0.384397 0.384397 0.831230 O\n0.936051 0.273937 0.181659 O\n0.273937 0.936051 0.181659 O\n0.615603 0.615603 0.168770 O\n",
"nsites": 12,
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"volume": 179.86152796666505,
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"formula_full": "Ti2 Cr1 In3 O6",
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"formula_anonymous": "AB2C3D6",
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},
{
"id": "mp-1225088",
"created_at": "2022-09-04T14:39:44.457746Z",
"structure_string": "Fe3 Sb3 O12\n1.0\n4.710579 -0.031712 0.000000\n-0.031712 4.710579 0.000000\n0.000000 0.000000 9.355259\nFe Sb O\n3 3 12\ndirect\n0.500000 0.500000 0.158696 Fe\n0.000000 0.000000 0.673514 Fe\n0.500000 0.500000 0.835406 Fe\n0.500000 0.500000 0.504687 Sb\n0.000000 0.000000 0.994856 Sb\n0.000000 0.000000 0.333243 Sb\n0.191459 0.808541 0.168280 O\n0.808541 0.191459 0.168280 O\n0.304812 0.304812 0.662594 O\n0.695188 0.695188 0.662594 O\n0.804607 0.195393 0.836310 O\n0.195393 0.804607 0.836310 O\n0.693416 0.693416 0.335172 O\n0.306584 0.306584 0.335172 O\n0.194543 0.805457 0.494690 O\n0.805457 0.194543 0.494690 O\n0.302365 0.302365 0.002752 O\n0.697635 0.697635 0.002752 O\n",
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"elements": [
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],
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"formula_full": "Fe3 Sb3 O12",
"formula_reduced": "FeSbO4",
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{
"id": "mp-1080570",
"created_at": "2022-09-04T14:39:44.461517Z",
"structure_string": "Cs2 Ni2 Br6\n1.0\n3.847954 -6.664852 0.000000\n3.847954 6.664852 0.000000\n0.000000 0.000000 6.336364\nCs Ni Br\n2 2 6\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.152222 0.847778 0.250000 Br\n0.152222 0.304444 0.250000 Br\n0.695556 0.847778 0.250000 Br\n0.847778 0.152222 0.750000 Br\n0.847778 0.695556 0.750000 Br\n0.304444 0.152222 0.750000 Br\n",
"nsites": 10,
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],
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"density": 4.407364642748335,
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"formula_full": "Cs2 Ni2 Br6",
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{
"id": "mp-768604",
"created_at": "2022-09-04T14:39:44.469095Z",
"structure_string": "Sr4 La4 Cl20\n1.0\n4.346717 0.000000 0.000000\n0.000000 12.804882 0.000000\n0.000000 0.000000 14.911813\nSr La Cl\n4 4 20\ndirect\n0.986783 0.250000 0.000000 Sr\n0.986783 0.250000 0.500000 Sr\n0.013217 0.750000 0.500000 Sr\n0.013217 0.750000 0.000000 Sr\n0.483204 0.024899 0.250000 La\n0.483204 0.475101 0.750000 La\n0.516796 0.524899 0.250000 La\n0.516796 0.975101 0.750000 La\n0.983387 0.167616 0.250000 Cl\n0.983387 0.332384 0.750000 Cl\n0.986630 0.923913 0.139586 Cl\n0.986630 0.576087 0.639586 Cl\n0.986630 0.576087 0.860414 Cl\n0.986630 0.923913 0.360414 Cl\n0.514442 0.867661 0.924370 Cl\n0.514442 0.867661 0.575630 Cl\n0.514442 0.632339 0.075630 Cl\n0.514442 0.632339 0.424370 Cl\n0.485558 0.132339 0.075630 Cl\n0.485558 0.132339 0.424370 Cl\n0.485558 0.367661 0.575630 Cl\n0.485558 0.367661 0.924370 Cl\n0.013370 0.423913 0.360414 Cl\n0.013370 0.423913 0.139586 Cl\n0.013370 0.076087 0.639586 Cl\n0.013370 0.076087 0.860414 Cl\n0.016613 0.667616 0.250000 Cl\n0.016613 0.832384 0.750000 Cl\n",
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],
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{
"id": "mp-1194723",
"created_at": "2022-09-04T14:39:44.463046Z",
"structure_string": "Sr6 C24 O24 F36\n1.0\n7.143886 -11.072807 0.000000\n7.143886 11.072807 0.000000\n-10.018628 0.000000 8.559747\nSr C O F\n6 24 24 36\ndirect\n0.513855 0.087833 0.894518 Sr\n0.087833 0.894518 0.513855 Sr\n0.894518 0.513855 0.087833 Sr\n0.486145 0.912167 0.105482 Sr\n0.912167 0.105482 0.486145 Sr\n0.105482 0.486145 0.912167 Sr\n0.212028 0.873306 0.807523 C\n0.873306 0.807523 0.212028 C\n0.807523 0.212028 0.873306 C\n0.787972 0.126694 0.192477 C\n0.126694 0.192477 0.787972 C\n0.192477 0.787972 0.126694 C\n0.063887 0.772608 0.774143 C\n0.772608 0.774143 0.063887 C\n0.774143 0.063887 0.772608 C\n0.936113 0.227392 0.225857 C\n0.227392 0.225857 0.936113 C\n0.225857 0.936113 0.227392 C\n0.759267 0.476045 0.255870 C\n0.476045 0.255870 0.759267 C\n0.255870 0.759267 0.476045 C\n0.240733 0.523955 0.744130 C\n0.523955 0.744130 0.240733 C\n0.744130 0.240733 0.523955 C\n0.672961 0.388334 0.285933 C\n0.388334 0.285933 0.672961 C\n0.285933 0.672961 0.388334 C\n0.327039 0.611666 0.714067 C\n0.611666 0.714067 0.327039 C\n0.714067 0.327039 0.611666 C\n0.207479 0.917357 0.738638 O\n0.917357 0.738638 0.207479 O\n0.738638 0.207479 0.917357 O\n0.792521 0.082643 0.261362 O\n0.082643 0.261362 0.792521 O\n0.261362 0.792521 0.082643 O\n0.329664 0.905532 0.904877 O\n0.905532 0.904877 0.329664 O\n0.904877 0.329664 0.905532 O\n0.670336 0.094468 0.095123 O\n0.094468 0.095123 0.670336 O\n0.095123 0.670336 0.094468 O\n0.724724 0.390403 0.131073 O\n0.390403 0.131073 0.724724 O\n0.131073 0.724724 0.390403 O\n0.275276 0.609597 0.868927 O\n0.609597 0.868927 0.275276 O\n0.868927 0.275276 0.609597 O\n0.857655 0.621104 0.360732 O\n0.621104 0.360732 0.857655 O\n0.360732 0.857655 0.621104 O\n0.142345 0.378896 0.639268 O\n0.378896 0.639268 0.142345 O\n0.639268 0.142345 0.378896 O\n0.940321 0.735085 0.662777 F\n0.735085 0.662777 0.940321 F\n0.662777 0.940321 0.735085 F\n0.059679 0.264915 0.337223 F\n0.264915 0.337223 0.059679 F\n0.337223 0.059679 0.264915 F\n0.021846 0.636588 0.726488 F\n0.636588 0.726488 0.021846 F\n0.726488 0.021846 0.636588 F\n0.978154 0.363412 0.273512 F\n0.363412 0.273512 0.978154 F\n0.273512 0.978154 0.363412 F\n0.094670 0.850174 0.906356 F\n0.850174 0.906356 0.094670 F\n0.906356 0.094670 0.850174 F\n0.905330 0.149826 0.093644 F\n0.149826 0.093644 0.905330 F\n0.093644 0.905330 0.149826 F\n0.540367 0.231445 0.151070 F\n0.231445 0.151070 0.540367 F\n0.151070 0.540367 0.231445 F\n0.459633 0.768555 0.848930 F\n0.768555 0.848930 0.459633 F\n0.848930 0.459633 0.768555 F\n0.769975 0.394623 0.388266 F\n0.394623 0.388266 0.769975 F\n0.388266 0.769975 0.394623 F\n0.230025 0.605377 0.611734 F\n0.605377 0.611734 0.230025 F\n0.611734 0.230025 0.605377 F\n0.628130 0.447936 0.343737 F\n0.447936 0.343737 0.628130 F\n0.343737 0.628130 0.447936 F\n0.371870 0.552064 0.656263 F\n0.552064 0.656263 0.371870 F\n0.656263 0.371870 0.552064 F\n",
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{
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"structure_string": "Cu1 Bi1 O3\n1.0\n3.850058 0.000000 0.000000\n0.000000 3.850058 0.000000\n0.000000 0.000000 3.850058\nCu Bi O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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{
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{
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{
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{
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}