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{
"id": "mp-1033269",
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{
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"structure_string": "Na2 Sr6 Ru2 O12\n1.0\n4.795753 -4.864748 0.000000\n4.795753 4.864748 0.000000\n-0.138983 0.000000 6.829766\nNa Sr Ru O\n2 6 2 12\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.750000 0.392021 0.107979 Sr\n0.107979 0.750000 0.392021 Sr\n0.392021 0.107979 0.750000 Sr\n0.250000 0.607979 0.892021 Sr\n0.892021 0.250000 0.607979 Sr\n0.607979 0.892021 0.250000 Sr\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.444624 0.778332 0.575470 O\n0.575470 0.444624 0.778332 O\n0.778332 0.575470 0.444624 O\n0.055376 0.924530 0.721668 O\n0.721668 0.055376 0.924530 O\n0.924530 0.721668 0.055376 O\n0.555376 0.221668 0.424530 O\n0.424530 0.555376 0.221668 O\n0.221668 0.424530 0.555376 O\n0.944624 0.075470 0.278332 O\n0.075470 0.278332 0.944624 O\n0.278332 0.944624 0.075470 O\n",
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{
"id": "mp-554896",
"created_at": "2022-09-04T14:46:31.127422Z",
"structure_string": "Sb2 Xe4 O2 F30\n1.0\n9.146414 0.000000 0.000000\n0.000000 5.766864 0.000000\n0.000000 2.966082 12.369826\nSb Xe O F\n2 4 2 30\ndirect\n0.250000 0.752558 0.434425 Sb\n0.750000 0.247442 0.565575 Sb\n0.750000 0.909637 0.291879 Xe\n0.750000 0.682693 0.905514 Xe\n0.250000 0.090363 0.708121 Xe\n0.250000 0.317307 0.094486 Xe\n0.750000 0.556481 0.051261 O\n0.250000 0.443519 0.948739 O\n0.750000 0.051833 0.136533 F\n0.092428 0.545931 0.120314 F\n0.407714 0.076818 0.083323 F\n0.750000 0.007095 0.477705 F\n0.407572 0.545931 0.120314 F\n0.907572 0.454069 0.879686 F\n0.750000 0.497201 0.431336 F\n0.901719 0.156304 0.287084 F\n0.457888 0.759516 0.441671 F\n0.599213 0.707394 0.247820 F\n0.250000 0.516964 0.352582 F\n0.400787 0.292606 0.752180 F\n0.098281 0.843696 0.712916 F\n0.598281 0.156304 0.287084 F\n0.250000 0.992905 0.522295 F\n0.750000 0.991946 0.692819 F\n0.092286 0.076818 0.083323 F\n0.750000 0.483036 0.647418 F\n0.542112 0.240484 0.558329 F\n0.592428 0.454069 0.879686 F\n0.250000 0.502799 0.568664 F\n0.250000 0.008054 0.307181 F\n0.592286 0.923182 0.916677 F\n0.250000 0.948167 0.863467 F\n0.907714 0.923182 0.916677 F\n0.042112 0.759516 0.441671 F\n0.957888 0.240484 0.558329 F\n0.900787 0.707394 0.247820 F\n0.401719 0.843696 0.712916 F\n0.099213 0.292606 0.752180 F\n",
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{
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"created_at": "2022-09-04T14:46:23.087417Z",
"structure_string": "Ta2 In1 Cu1 Te4\n1.0\n-3.272694 3.272694 6.264814\n3.272694 -3.272694 6.264814\n3.272694 3.272694 -6.264814\nTa In Cu Te\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Ta\n0.250000 0.750000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.000000 Cu\n0.423264 0.851669 0.000000 Te\n0.851669 0.423264 0.000000 Te\n0.148331 0.148331 0.571595 Te\n0.576736 0.576736 0.428405 Te\n",
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],
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"volume": 268.39781337060106,
"volume_molar": 20.204117647424617,
"formula_full": "Ta2 In1 Cu1 Te4",
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{
"id": "mp-1214884",
"created_at": "2022-09-04T14:46:28.431337Z",
"structure_string": "Ba8 Sm4 V12 O44\n1.0\n0.000000 -7.844050 0.000000\n-12.182537 0.000000 2.830727\n0.011711 0.000000 -11.398952\nBa Sm V O\n8 4 12 44\ndirect\n0.274515 0.767067 0.941507 Ba\n0.725485 0.232933 0.058493 Ba\n0.774515 0.232933 0.558493 Ba\n0.225485 0.767067 0.441507 Ba\n0.747645 0.554075 0.889355 Ba\n0.252355 0.445925 0.110645 Ba\n0.247645 0.445925 0.610645 Ba\n0.752355 0.554075 0.389355 Ba\n0.501123 0.997737 0.711970 Sm\n0.498877 0.002263 0.288030 Sm\n0.001123 0.002263 0.788030 Sm\n0.998877 0.997737 0.211970 Sm\n0.752784 0.905083 0.976053 V\n0.247216 0.094917 0.023947 V\n0.252784 0.094917 0.523947 V\n0.747216 0.905083 0.476053 V\n0.519670 0.683490 0.673418 V\n0.480330 0.316510 0.326582 V\n0.019670 0.316510 0.826582 V\n0.980330 0.683490 0.173418 V\n0.980832 0.686964 0.670539 V\n0.019168 0.313036 0.329460 V\n0.480832 0.313036 0.829461 V\n0.519168 0.686964 0.170540 V\n0.443815 0.816961 0.718296 O\n0.556185 0.183039 0.281704 O\n0.943815 0.183039 0.781704 O\n0.056185 0.816961 0.218296 O\n0.551266 0.178555 0.807748 O\n0.448734 0.821445 0.192252 O\n0.051266 0.821445 0.692252 O\n0.948734 0.178555 0.307748 O\n0.750327 0.666309 0.667437 O\n0.249673 0.333691 0.332563 O\n0.250327 0.333691 0.832563 O\n0.749673 0.666309 0.167437 O\n0.944827 0.375500 0.966140 O\n0.055173 0.624500 0.033860 O\n0.444827 0.624500 0.533860 O\n0.555173 0.375500 0.466140 O\n0.941191 0.392231 0.731558 O\n0.058809 0.607769 0.268442 O\n0.441191 0.607769 0.768442 O\n0.558809 0.392231 0.231558 O\n0.784408 0.986174 0.623474 O\n0.215592 0.013826 0.376526 O\n0.284408 0.013826 0.876526 O\n0.715592 0.986174 0.123474 O\n0.971471 0.883370 0.973573 O\n0.028529 0.116630 0.026427 O\n0.471471 0.116630 0.526427 O\n0.528529 0.883370 0.473573 O\n0.639982 0.785897 0.946767 O\n0.360018 0.214103 0.053233 O\n0.139982 0.214103 0.553233 O\n0.860018 0.785897 0.446767 O\n0.718068 0.982898 0.865429 O\n0.281932 0.017102 0.134571 O\n0.218068 0.017102 0.634571 O\n0.781932 0.982898 0.365430 O\n0.558516 0.370413 0.718924 O\n0.441484 0.629587 0.281076 O\n0.058516 0.629587 0.781076 O\n0.941484 0.370413 0.218924 O\n0.562608 0.387533 0.961321 O\n0.437392 0.612467 0.038679 O\n0.062608 0.612467 0.538679 O\n0.937392 0.387533 0.461321 O\n",
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"formula_full": "Ba8 Sm4 V12 O44",
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{
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"structure_string": "Li6 Fe4 P6 O24\n1.0\n4.361039 7.595420 0.000000\n-4.361039 7.595420 0.000000\n0.000000 4.984741 7.146302\nLi Fe P O\n6 4 6 24\ndirect\n0.354611 0.035574 0.673668 Li\n0.359973 0.624802 0.746176 Li\n0.886833 0.741508 0.700457 Li\n0.624802 0.359973 0.246176 Li\n0.035574 0.354611 0.173668 Li\n0.741508 0.886833 0.200457 Li\n0.854689 0.353798 0.856558 Fe\n0.153727 0.646792 0.142176 Fe\n0.646792 0.153727 0.642176 Fe\n0.353798 0.854689 0.356558 Fe\n0.471934 0.249977 0.041807 P\n0.950802 0.045213 0.254918 P\n0.045213 0.950802 0.754918 P\n0.249977 0.471934 0.541807 P\n0.751740 0.530525 0.456123 P\n0.530525 0.751740 0.956123 P\n0.764409 0.060647 0.421424 O\n0.928403 0.241483 0.097404 O\n0.241483 0.928403 0.597404 O\n0.754999 0.479232 0.650415 O\n0.721070 0.377167 0.443733 O\n0.890270 0.979689 0.695655 O\n0.479232 0.754999 0.150415 O\n0.525207 0.258145 0.841247 O\n0.979689 0.890270 0.195655 O\n0.552777 0.933984 0.792996 O\n0.377167 0.721070 0.943733 O\n0.474369 0.053862 0.186736 O\n0.723371 0.594209 0.921533 O\n0.290963 0.618759 0.553459 O\n0.006035 0.115368 0.806091 O\n0.115368 0.006035 0.306091 O\n0.594209 0.723371 0.421533 O\n0.618759 0.290963 0.053459 O\n0.933984 0.552777 0.292996 O\n0.274255 0.399831 0.081878 O\n0.258145 0.525207 0.341247 O\n0.060647 0.764409 0.921424 O\n0.399831 0.274255 0.581878 O\n0.053862 0.474369 0.686736 O\n",
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"formula_full": "Li6 Fe4 P6 O24",
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{
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"structure_string": "Sr2 Ca2 Pb2 O8\n1.0\n3.487001 0.000000 0.000000\n0.000000 6.065720 0.000000\n0.000000 0.070962 10.086515\nSr Ca Pb O\n2 2 2 8\ndirect\n0.500000 0.423912 0.184540 Sr\n0.500000 0.576088 0.815460 Sr\n0.500000 0.926053 0.321312 Ca\n0.500000 0.073947 0.678688 Ca\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.122093 0.201928 O\n0.000000 0.877907 0.798072 O\n0.000000 0.649492 0.306485 O\n0.000000 0.350508 0.693515 O\n0.500000 0.263628 0.450083 O\n0.500000 0.736372 0.549917 O\n0.500000 0.768937 0.048278 O\n0.500000 0.231063 0.951722 O\n",
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{
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"structure_string": "Ti4 Cr4 Cu4 S16\n1.0\n6.256545 -0.014396 0.553503\n-0.069042 7.216699 1.122379\n-0.048287 -0.088004 12.386664\nTi Cr Cu S\n4 4 4 16\ndirect\n0.856569 0.299267 0.295794 Ti\n0.236788 0.885548 0.000248 Ti\n0.763684 0.109002 0.998346 Ti\n0.629740 0.444147 0.706237 Ti\n0.148058 0.701866 0.709370 Cr\n0.365584 0.557264 0.289622 Cr\n0.366906 0.043912 0.295201 Cr\n0.622809 0.949967 0.704664 Cr\n0.132973 0.199722 0.701935 Cu\n0.875690 0.802558 0.298666 Cu\n0.250795 0.377231 0.997289 Cu\n0.750251 0.631486 0.002933 Cu\n0.104672 0.653332 0.892419 S\n0.893698 0.345926 0.109400 S\n0.098446 0.147247 0.892054 S\n0.902660 0.853481 0.109177 S\n0.199651 0.778483 0.364491 S\n0.806676 0.215763 0.630192 S\n0.194696 0.287657 0.360435 S\n0.819418 0.717973 0.639010 S\n0.308694 0.963287 0.633504 S\n0.685122 0.029572 0.369006 S\n0.306847 0.467996 0.633240 S\n0.682167 0.541654 0.361665 S\n0.404901 0.093447 0.109230 S\n0.591775 0.903760 0.892565 S\n0.396837 0.603378 0.108993 S\n0.603891 0.395074 0.894314 S\n",
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{
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],
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"formula_full": "Ba4 Mg1 Rh4 O12",
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{
"id": "mp-754805",
"created_at": "2022-09-04T14:41:01.668714Z",
"structure_string": "Li5 Fe3 Sb2 O10\n1.0\n5.362783 0.151675 0.031046\n-1.142265 5.230996 -0.145659\n-1.776811 -2.801810 7.548418\nLi Fe Sb O\n5 3 2 10\ndirect\n0.229947 0.894763 0.398337 Li\n0.410969 0.298790 0.795442 Li\n0.500000 0.500000 0.500000 Li\n0.589031 0.701210 0.204558 Li\n0.770053 0.105237 0.601663 Li\n0.000000 0.500000 0.000000 Fe\n0.702054 0.898678 0.897572 Fe\n0.297946 0.101322 0.102428 Fe\n0.109961 0.709791 0.699716 Sb\n0.890039 0.290209 0.300284 Sb\n0.054656 0.080351 0.843232 O\n0.342308 0.699450 0.935614 O\n0.138982 0.327309 0.546296 O\n0.216521 0.487020 0.240967 O\n0.442812 0.900886 0.656288 O\n0.557188 0.099114 0.343712 O\n0.783479 0.512980 0.759033 O\n0.861018 0.672691 0.453704 O\n0.657692 0.300550 0.064386 O\n0.945344 0.919649 0.156768 O\n",
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"elements": [
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"formula_full": "Li5 Fe3 Sb2 O10",
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{
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"created_at": "2022-09-04T14:41:01.703759Z",
"structure_string": "Li2 Co3 Ni1 O8\n1.0\n2.906210 2.905340 4.169261\n5.972637 0.047378 0.054046\n-2.860713 2.813233 -4.137032\nLi Co Ni O\n2 3 1 8\ndirect\n0.500006 0.499985 0.999903 Li\n0.999928 0.500047 0.499919 Li\n0.500051 0.999973 0.500031 Co\n0.499972 0.000029 0.999962 Co\n0.999961 0.000052 0.500037 Co\n0.000046 0.999956 0.000054 Ni\n0.776803 0.211056 0.232945 O\n0.223201 0.788939 0.767116 O\n0.277478 0.213192 0.732930 O\n0.722465 0.786894 0.267010 O\n0.249282 0.203403 0.241081 O\n0.752068 0.202921 0.743521 O\n0.248032 0.797023 0.256566 O\n0.750707 0.796529 0.758924 O\n",
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"formula_full": "Li2 Co3 Ni1 O8",
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"spacegroup": 12
},
{
"id": "mp-547017",
"created_at": "2022-09-04T14:41:01.675198Z",
"structure_string": "Li1 Al1 As2 O7\n1.0\n4.072183 3.342319 0.000000\n-4.072183 3.342319 0.000000\n0.000000 1.150164 4.564726\nLi Al As O\n1 1 2 7\ndirect\n0.246152 0.753848 0.000000 Li\n0.622061 0.377939 0.000000 Al\n0.747615 0.820936 0.405572 As\n0.179064 0.252385 0.594428 As\n0.851150 0.637992 0.159404 O\n0.339672 0.451901 0.268021 O\n0.927855 0.376220 0.738543 O\n0.057715 0.942285 0.500000 O\n0.548099 0.660328 0.731979 O\n0.623780 0.072145 0.261457 O\n0.362008 0.148850 0.840596 O\n",
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"formula_full": "Li1 Al1 As2 O7",
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]
}