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{
"id": "mp-1211042",
"created_at": "2022-09-04T14:43:52.038618Z",
"structure_string": "Li1 Si1 Ag2\n1.0\n0.000000 3.189956 3.189956\n3.189956 0.000000 3.189956\n3.189956 3.189956 0.000000\nLi Si Ag\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
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{
"id": "mp-1247636",
"created_at": "2022-09-04T14:43:52.043269Z",
"structure_string": "Sr12 Ca20 Mn32 O96\n1.0\n10.892349 0.000784 -0.004058\n0.001099 15.306377 -0.001334\n-0.004006 -0.000941 10.790813\nSr Ca Mn O\n12 20 32 96\ndirect\n0.015235 0.124704 0.496940 Sr\n0.015216 0.124804 0.996837 Sr\n0.015991 0.625310 0.497509 Sr\n0.484764 0.375296 0.003060 Sr\n0.484783 0.375196 0.503164 Sr\n0.484008 0.874690 0.002491 Sr\n0.232063 0.375466 0.245691 Sr\n0.232124 0.375518 0.745808 Sr\n0.232267 0.874503 0.246808 Sr\n0.267937 0.124534 0.254308 Sr\n0.267876 0.124482 0.754191 Sr\n0.267732 0.625497 0.253191 Sr\n0.021872 0.625057 0.994655 Ca\n0.522914 0.124743 0.495576 Ca\n0.522771 0.124829 0.995905 Ca\n0.522302 0.625290 0.496155 Ca\n0.523291 0.625182 0.995600 Ca\n0.478127 0.874943 0.505345 Ca\n0.977086 0.375257 0.004423 Ca\n0.977229 0.375171 0.504095 Ca\n0.977698 0.874710 0.003845 Ca\n0.976709 0.874818 0.504400 Ca\n0.226343 0.874671 0.744466 Ca\n0.729987 0.374963 0.246495 Ca\n0.729794 0.374998 0.746191 Ca\n0.729627 0.875022 0.246944 Ca\n0.728264 0.875033 0.745156 Ca\n0.273656 0.625329 0.755535 Ca\n0.770013 0.125037 0.253505 Ca\n0.770206 0.125002 0.753808 Ca\n0.770373 0.624978 0.253056 Ca\n0.771736 0.624967 0.754845 Ca\n0.997157 0.998227 0.250947 Mn\n0.997997 0.997683 0.751052 Mn\n0.996996 0.499372 0.248941 Mn\n0.998868 0.500321 0.751537 Mn\n0.503004 0.000628 0.251059 Mn\n0.501132 0.999679 0.748463 Mn\n0.502843 0.501773 0.249053 Mn\n0.502003 0.502317 0.748948 Mn\n0.250281 0.999188 0.998391 Mn\n0.250614 0.998589 0.501222 Mn\n0.249386 0.501411 0.998778 Mn\n0.249719 0.500812 0.501609 Mn\n0.749839 0.999567 0.999674 Mn\n0.748390 0.998995 0.499563 Mn\n0.751610 0.501005 0.000437 Mn\n0.750161 0.500433 0.500326 Mn\n0.249901 0.250041 0.999866 Mn\n0.250099 0.249959 0.500134 Mn\n0.249704 0.749409 0.996942 Mn\n0.250296 0.750591 0.503058 Mn\n0.750128 0.250167 0.999926 Mn\n0.749872 0.249833 0.500074 Mn\n0.751422 0.749355 0.000191 Mn\n0.748578 0.750645 0.499809 Mn\n0.997172 0.251560 0.250850 Mn\n0.997352 0.251769 0.750997 Mn\n0.997087 0.750766 0.249009 Mn\n0.999553 0.750191 0.751545 Mn\n0.502828 0.248440 0.249150 Mn\n0.502648 0.248231 0.749003 Mn\n0.502913 0.749234 0.250991 Mn\n0.500447 0.749809 0.748455 Mn\n0.103045 0.268572 0.105382 O\n0.103015 0.268464 0.605545 O\n0.102155 0.767343 0.101957 O\n0.104957 0.771551 0.606446 O\n0.610827 0.265562 0.107523 O\n0.610798 0.265505 0.607626 O\n0.610418 0.766288 0.108177 O\n0.604519 0.769592 0.602500 O\n0.396955 0.231427 0.394619 O\n0.396985 0.231535 0.894456 O\n0.397844 0.732656 0.398043 O\n0.395042 0.728448 0.893555 O\n0.889173 0.234437 0.392475 O\n0.889202 0.234494 0.892375 O\n0.889582 0.733711 0.391824 O\n0.895481 0.730407 0.897501 O\n0.140925 0.235682 0.357640 O\n0.140935 0.235644 0.857429 O\n0.141000 0.735272 0.358559 O\n0.145736 0.730352 0.851849 O\n0.644898 0.230128 0.355509 O\n0.644789 0.230151 0.855462 O\n0.645822 0.729373 0.354673 O\n0.645117 0.730161 0.853950 O\n0.359075 0.264317 0.142360 O\n0.359065 0.264355 0.642571 O\n0.358999 0.764727 0.141441 O\n0.354263 0.769647 0.648152 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O\n0.610187 0.485078 0.607847 O\n0.610465 0.983573 0.108285 O\n0.605083 0.979907 0.602277 O\n0.001481 0.375319 0.288009 O\n0.001580 0.376223 0.789477 O\n0.001737 0.874681 0.288244 O\n0.009125 0.873718 0.789090 O\n0.510879 0.375044 0.277194 O\n0.510487 0.375331 0.776975 O\n0.510605 0.874965 0.287024 O\n0.511736 0.874720 0.779395 O\n0.498518 0.124681 0.211992 O\n0.498419 0.123777 0.710523 O\n0.498263 0.625319 0.211757 O\n0.490875 0.626282 0.710911 O\n0.989120 0.124956 0.222807 O\n0.989512 0.124669 0.723025 O\n0.989394 0.625035 0.212977 O\n0.988263 0.625280 0.720606 O\n0.245332 0.124794 0.027836 O\n0.246366 0.124176 0.528513 O\n0.237877 0.625220 0.029227 O\n0.246295 0.625935 0.538299 O\n0.742751 0.124873 0.037222 O\n0.741998 0.124319 0.537820 O\n0.741139 0.625152 0.037990 O\n0.741679 0.625672 0.538335 O\n0.254667 0.375206 0.472164 O\n0.253633 0.375824 0.971487 O\n0.262123 0.874780 0.470774 O\n0.253705 0.874065 0.961702 O\n0.757248 0.375127 0.462778 O\n0.758001 0.375681 0.962180 O\n0.758861 0.874848 0.462010 O\n0.758321 0.874328 0.961666 O\n",
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"density_atomic": 0.08893483995026888,
"volume": 1799.0699717846207,
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"formula_full": "Sr12 Ca20 Mn32 O96",
"formula_reduced": "Sr3Ca5Mn8O24",
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"energy": -1221.9098941,
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"updated_at": "2021-11-28T01:36:18.877000Z",
"spacegroup": 2
},
{
"id": "mp-1013584",
"created_at": "2022-09-04T14:43:52.050199Z",
"structure_string": "Ba3 Bi1 Sb1\n1.0\n6.537631 0.000000 0.000000\n0.000000 6.537631 0.000000\n0.000000 0.000000 6.537631\nBa Bi Sb\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Sb\n",
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"formula_full": "Ba3 Bi1 Sb1",
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"updated_at": "2021-11-28T01:36:21.806000Z",
"spacegroup": 221
},
{
"id": "mp-1391777",
"created_at": "2022-09-04T14:43:52.051108Z",
"structure_string": "V4 Zn1 O8\n1.0\n5.326870 -2.969229 0.000000\n5.326870 2.969229 0.000000\n3.671805 0.000000 4.869262\nV Zn O\n4 1 8\ndirect\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Zn\n0.273412 0.756743 0.756743 O\n0.243257 0.243257 0.726588 O\n0.726588 0.243257 0.243257 O\n0.243257 0.726588 0.243257 O\n0.268640 0.268640 0.268640 O\n0.731360 0.731360 0.731360 O\n0.756743 0.273412 0.756743 O\n0.756743 0.756743 0.273412 O\n",
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{
"id": "mp-1217573",
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"structure_string": "Tb1 Al3 Ag1\n1.0\n0.000000 -4.191552 0.000000\n-4.185423 0.000000 0.000000\n-2.092711 -2.095776 -5.655151\nTb Al Ag\n1 3 1\ndirect\n0.000161 0.000161 0.999678 Tb\n0.249392 0.749392 0.501215 Al\n0.609722 0.609722 0.780557 Al\n0.390155 0.390155 0.219690 Al\n0.750570 0.250570 0.498860 Ag\n",
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"density": 5.820268714749841,
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{
"id": "mp-1271142",
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"structure_string": "Co4\n1.0\n-1.243085 2.154006 0.000089\n-0.000286 0.000165 8.126579\n2.486967 0.000460 -0.000089\nCo\n4\ndirect\n0.666705 0.630029 0.333295 Co\n0.333296 0.870179 0.666704 Co\n0.666705 0.129832 0.333295 Co\n0.333294 0.369960 0.666706 Co\n",
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{
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"structure_string": "Ba6 Mg1 Nb2 Ir1 Cl2 O12\n1.0\n6.064405 -0.000503 0.003657\n-3.032640 5.248745 -0.003042\n0.009064 -0.003486 15.016839\nBa Mg Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.333347 0.666802 0.364354 Ba\n0.333406 0.666839 0.792660 Ba\n0.666653 0.333198 0.635646 Ba\n0.666678 0.333468 0.928294 Ba\n0.333322 0.666532 0.071706 Ba\n0.666594 0.333161 0.207340 Ba\n0.000000 0.000000 0.500000 Mg\n0.999798 0.999909 0.813556 Nb\n0.000202 0.000091 0.186444 Nb\n0.000000 0.000000 0.000000 Ir\n0.666661 0.333328 0.419129 Cl\n0.333339 0.666672 0.580871 Cl\n0.153658 0.307320 0.917603 O\n0.324053 0.162050 0.757660 O\n0.162171 0.324401 0.242413 O\n0.837829 0.675599 0.757587 O\n0.838084 0.162024 0.757673 O\n0.846342 0.692680 0.082397 O\n0.161916 0.837976 0.242327 O\n0.307714 0.153745 0.082584 O\n0.846089 0.153715 0.082610 O\n0.692286 0.846255 0.917416 O\n0.675947 0.837950 0.242340 O\n0.153911 0.846285 0.917390 O\n",
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{
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"structure_string": "Rb4 Li8 I12 O36\n1.0\n11.410129 0.000000 0.000000\n0.000000 8.420242 0.000000\n0.000000 4.107235 10.686667\nRb Li I O\n4 8 12 36\ndirect\n0.455606 0.711571 0.338657 Rb\n0.955606 0.288429 0.161343 Rb\n0.544394 0.288429 0.661343 Rb\n0.044394 0.711571 0.838657 Rb\n0.215915 0.626450 0.139553 Li\n0.715915 0.373550 0.360447 Li\n0.784085 0.373550 0.860447 Li\n0.284085 0.626450 0.639553 Li\n0.210735 0.016410 0.152647 Li\n0.710735 0.983590 0.347353 Li\n0.789265 0.983590 0.847353 Li\n0.289265 0.016410 0.652647 Li\n0.131992 0.916464 0.438308 I\n0.631992 0.083536 0.061692 I\n0.868008 0.083536 0.561692 I\n0.368008 0.916464 0.938308 I\n0.182116 0.409370 0.453998 I\n0.682116 0.590630 0.046002 I\n0.817884 0.590630 0.546002 I\n0.317884 0.409370 0.953998 I\n0.447364 0.226519 0.320017 I\n0.947364 0.773481 0.179983 I\n0.552636 0.773481 0.679983 I\n0.052636 0.226519 0.820017 I\n0.079545 0.132570 0.416647 O\n0.579545 0.867430 0.083353 O\n0.920455 0.867430 0.583353 O\n0.420455 0.132570 0.916647 O\n0.795094 0.140279 0.408733 O\n0.295094 0.859721 0.091267 O\n0.257173 0.974076 0.330704 O\n0.204906 0.859721 0.591267 O\n0.458341 0.955103 0.669992 O\n0.958341 0.044897 0.830008 O\n0.541659 0.044897 0.330008 O\n0.041659 0.955103 0.169992 O\n0.456081 0.650081 0.617033 O\n0.956081 0.349919 0.882967 O\n0.543919 0.349919 0.382967 O\n0.043919 0.650081 0.117033 O\n0.536921 0.651756 0.847574 O\n0.036921 0.348244 0.652426 O\n0.463079 0.348244 0.152426 O\n0.963079 0.651756 0.347574 O\n0.288220 0.258808 0.552618 O\n0.788220 0.741192 0.947382 O\n0.711780 0.741192 0.447382 O\n0.211780 0.258808 0.052618 O\n0.238314 0.464759 0.804352 O\n0.738314 0.535241 0.695648 O\n0.761686 0.535241 0.195648 O\n0.261686 0.464759 0.304352 O\n0.275746 0.598497 0.988229 O\n0.775746 0.401503 0.511771 O\n0.724254 0.401503 0.011771 O\n0.224254 0.598497 0.488229 O\n0.242827 0.974076 0.830704 O\n0.742827 0.025924 0.669296 O\n0.757173 0.025924 0.169296 O\n0.704906 0.140279 0.908733 O\n",
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