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{
"id": "mp-1185430",
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{
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"structure_string": "Li1 Cr4 In4 O12\n1.0\n5.321485 -0.027817 0.124876\n-0.027060 5.479555 -0.045995\n0.182220 -0.069834 8.075300\nLi Cr In O\n1 4 4 12\ndirect\n0.350622 0.396564 0.054556 Li\n0.952665 0.486666 0.980514 Cr\n0.017918 0.507890 0.494787 Cr\n0.491831 0.972318 0.001460 Cr\n0.507223 0.013640 0.500100 Cr\n0.018181 0.950832 0.748074 In\n0.493443 0.456344 0.719126 In\n0.548860 0.578614 0.286944 In\n0.982670 0.058142 0.227407 In\n0.157859 0.425679 0.264441 O\n0.209179 0.215637 0.587410 O\n0.161857 0.152509 0.955607 O\n0.319250 0.709608 0.557356 O\n0.308832 0.666442 0.918103 O\n0.371272 0.934504 0.253149 O\n0.623160 0.070857 0.753132 O\n0.669339 0.284909 0.089705 O\n0.703114 0.316804 0.447190 O\n0.782676 0.789045 0.073261 O\n0.819750 0.819000 0.422549 O\n0.872800 0.586854 0.723463 O\n",
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{
"id": "mp-778583",
"created_at": "2022-09-04T14:46:22.183193Z",
"structure_string": "Li3 Mn2 Co2 O8\n1.0\n5.794801 0.000000 0.000000\n-2.733899 5.126284 0.000000\n-0.098516 -3.324135 4.818008\nLi Mn Co O\n3 2 2 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.768899 0.558681 0.234610 O\n0.773476 0.027466 0.243529 O\n0.784534 0.985327 0.777078 O\n0.771418 0.456695 0.788960 O\n0.228582 0.543305 0.211040 O\n0.215466 0.014673 0.222922 O\n0.226524 0.972534 0.756471 O\n0.231101 0.441319 0.765390 O\n",
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"formula_full": "Li3 Mn2 Co2 O8",
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{
"id": "mp-767873",
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"structure_string": "V9 Sb7 O32\n1.0\n-4.667740 0.000000 0.000000\n-0.002018 -7.807942 0.000000\n0.032208 3.303034 14.980785\nV Sb O\n9 7 32\ndirect\n0.505465 0.812933 0.438214 V\n0.494535 0.187067 0.561786 V\n0.496080 0.062333 0.188968 V\n0.503920 0.937667 0.811032 V\n0.000000 0.500000 0.500000 V\n0.992042 0.374501 0.128919 V\n0.995613 0.750727 0.253260 V\n0.007958 0.625499 0.871081 V\n0.004387 0.249273 0.746740 V\n0.504591 0.558608 0.687388 Sb\n0.495409 0.441392 0.312612 Sb\n0.500013 0.313389 0.932795 Sb\n0.499987 0.686611 0.067205 Sb\n0.002723 0.878987 0.622653 Sb\n0.997277 0.121013 0.377347 Sb\n0.000000 0.000000 0.000000 Sb\n0.196535 0.641456 0.613125 O\n0.197276 0.885815 0.358451 O\n0.189883 0.014916 0.736329 O\n0.191461 0.261609 0.485479 O\n0.188773 0.134778 0.110387 O\n0.195215 0.521549 0.237072 O\n0.191101 0.384772 0.859152 O\n0.200661 0.765160 0.987800 O\n0.300222 0.204434 0.300308 O\n0.291261 0.327406 0.676878 O\n0.312630 0.697540 0.797048 O\n0.298517 0.821855 0.174869 O\n0.304963 0.448701 0.047571 O\n0.306398 0.079508 0.924214 O\n0.309793 0.575297 0.423400 O\n0.305603 0.953655 0.549140 O\n0.690207 0.424703 0.576600 O\n0.708739 0.672594 0.323122 O\n0.701483 0.178145 0.825131 O\n0.687370 0.302460 0.202952 O\n0.695037 0.551299 0.952429 O\n0.694397 0.046345 0.450860 O\n0.693602 0.920492 0.075786 O\n0.699778 0.795566 0.699692 O\n0.802724 0.114185 0.641549 O\n0.808899 0.615228 0.140848 O\n0.803465 0.358544 0.386875 O\n0.811227 0.865222 0.889613 O\n0.808539 0.738391 0.514521 O\n0.799339 0.234840 0.012200 O\n0.804785 0.478451 0.762928 O\n0.810117 0.985084 0.263671 O\n",
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"elements": [
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"density": 5.543757020433712,
"density_atomic": 0.0879150910859182,
"volume": 545.9813486752834,
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"formula_full": "V9 Sb7 O32",
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"updated_at": "2021-11-28T01:37:24.995000Z",
"spacegroup": 2
},
{
"id": "mp-1183015",
"created_at": "2022-09-04T14:46:22.095762Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.427706 -0.499765 -0.261018\n-2.263884 12.645619 -5.071253\n-0.319747 -2.262233 10.308915\nAl Si O\n8 4 20\ndirect\n0.689822 0.806152 0.303699 Al\n0.149511 0.106413 0.857863 Al\n0.770192 0.213060 0.835077 Al\n0.229808 0.786940 0.164923 Al\n0.960898 0.822821 0.611312 Al\n0.850489 0.893587 0.142137 Al\n0.039102 0.177179 0.388688 Al\n0.310178 0.193848 0.696301 Al\n0.354891 0.731453 0.419947 Si\n0.964803 0.556806 0.447005 Si\n0.035197 0.443194 0.552995 Si\n0.645109 0.268547 0.580053 Si\n0.989112 0.841120 0.263971 O\n0.887843 0.237275 0.012119 O\n0.316174 0.203245 0.533421 O\n0.112157 0.762725 0.987881 O\n0.167784 0.243204 0.037835 O\n0.342432 0.706063 0.240818 O\n0.657568 0.293937 0.759182 O\n0.221823 0.832906 0.521369 O\n0.010888 0.158880 0.736029 O\n0.255109 0.607983 0.410516 O\n0.778177 0.167094 0.478631 O\n0.008318 0.041159 0.217914 O\n0.744891 0.392017 0.589484 O\n0.683826 0.796755 0.466579 O\n0.832216 0.756796 0.962165 O\n0.107458 0.321331 0.426542 O\n0.991682 0.958841 0.782086 O\n0.892542 0.678669 0.573457 O\n0.436201 0.128005 0.781908 O\n0.563799 0.871995 0.218092 O\n",
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"volume": 630.4351797748332,
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"formula_full": "Al8 Si4 O20",
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{
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"created_at": "2022-09-04T14:46:22.106921Z",
"structure_string": "U2 As1 S2\n1.0\n8.190380 0.000000 0.000000\n0.000000 8.190380 0.000000\n0.000000 0.000000 29.033037\nU As S\n2 1 2\ndirect\n0.000000 0.000000 0.286392 U\n0.000000 0.000000 0.713608 U\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.634236 S\n0.000000 0.000000 0.365764 S\n",
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"formula_full": "U2 As1 S2",
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"spacegroup": 123
},
{
"id": "mp-1215085",
"created_at": "2022-09-04T14:46:22.113663Z",
"structure_string": "Ba3 Mn1 F12\n1.0\n-1.494519 -2.588582 -7.278880\n-4.026606 -6.974286 -2.857388\n-4.610936 7.311649 1.428694\nBa Mn F\n3 1 12\ndirect\n0.500000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Mn\n0.806664 0.615686 0.776907 F\n0.193336 0.384314 0.223093 F\n0.734661 0.905702 0.479196 F\n0.193336 0.161221 0.776907 F\n0.265339 0.094298 0.520804 F\n0.806664 0.838779 0.223093 F\n0.188874 0.878314 0.832169 F\n0.265339 0.573494 0.479196 F\n0.811126 0.121686 0.167831 F\n0.734661 0.426506 0.520804 F\n0.811126 0.953855 0.832169 F\n0.188874 0.046145 0.167831 F\n",
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"formula_full": "Ba3 Mn1 F12",
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{
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"structure_string": "Li1 B11\n1.0\n-2.720336 2.720336 2.792690\n2.720336 -2.720336 2.792690\n2.720336 2.720336 -2.792690\nLi B\n1 11\ndirect\n0.750000 0.250000 0.500000 Li\n0.680275 0.680275 0.000000 B\n0.319725 0.319725 0.000000 B\n0.297449 0.297449 0.594898 B\n0.702551 0.702551 0.405102 B\n0.702551 0.297449 0.000000 B\n0.297449 0.702551 0.000000 B\n0.122576 0.835893 0.286683 B\n0.549210 0.835893 0.713317 B\n0.164107 0.450790 0.286683 B\n0.164107 0.877424 0.713317 B\n0.000000 0.000000 0.000000 B\n",
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],
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"volume": 82.66617040709252,
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{
"id": "mp-1201384",
"created_at": "2022-09-04T14:46:22.143677Z",
"structure_string": "Sr12 Ga8 O48\n1.0\n-6.887154 6.887154 6.887154\n6.887154 -6.887154 6.887154\n6.887154 6.887154 -6.887154\nSr Ga O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Sr\n0.750000 0.125000 0.375000 Sr\n0.375000 0.125000 0.250000 Sr\n0.125000 0.375000 0.750000 Sr\n0.125000 0.250000 0.375000 Sr\n0.375000 0.750000 0.125000 Sr\n0.750000 0.625000 0.875000 Sr\n0.250000 0.875000 0.625000 Sr\n0.625000 0.875000 0.750000 Sr\n0.875000 0.625000 0.250000 Sr\n0.875000 0.750000 0.625000 Sr\n0.625000 0.250000 0.875000 Sr\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.312109 0.448190 0.380682 O\n0.567507 0.931427 0.119318 O\n0.932493 0.051810 0.363919 O\n0.187891 0.568573 0.136081 O\n0.448190 0.380682 0.312109 O\n0.931427 0.119318 0.567507 O\n0.051810 0.363919 0.932493 O\n0.568573 0.136081 0.187891 O\n0.380682 0.312109 0.448190 O\n0.119318 0.567507 0.931427 O\n0.363919 0.932493 0.051810 O\n0.136081 0.187891 0.568573 O\n0.687891 0.551810 0.619318 O\n0.432493 0.068573 0.880682 O\n0.067507 0.948190 0.636081 O\n0.812109 0.431427 0.863919 O\n0.551810 0.619318 0.687891 O\n0.068573 0.880682 0.432493 O\n0.948190 0.636081 0.067507 O\n0.431427 0.863919 0.812109 O\n0.619318 0.687891 0.551810 O\n0.880682 0.432493 0.068573 O\n0.636081 0.067507 0.948190 O\n0.863919 0.812109 0.431427 O\n0.812109 0.880682 0.948190 O\n0.067507 0.619318 0.431427 O\n0.432493 0.863919 0.551810 O\n0.687891 0.636081 0.068573 O\n0.948190 0.812109 0.880682 O\n0.431427 0.067507 0.619318 O\n0.551810 0.432493 0.863919 O\n0.068573 0.687891 0.636081 O\n0.880682 0.948190 0.812109 O\n0.619318 0.431427 0.067507 O\n0.863919 0.551810 0.432493 O\n0.636081 0.068573 0.687891 O\n0.187891 0.119318 0.051810 O\n0.932493 0.380682 0.568573 O\n0.567507 0.136081 0.448190 O\n0.312109 0.363919 0.931427 O\n0.051810 0.187891 0.119318 O\n0.568573 0.932493 0.380682 O\n0.448190 0.567507 0.136081 O\n0.931427 0.312109 0.363919 O\n0.119318 0.051810 0.187891 O\n0.380682 0.568573 0.932493 O\n0.136081 0.448190 0.567507 O\n0.363919 0.931427 0.312109 O\n",
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"formula_full": "Sr12 Ga8 O48",
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"energy": -377.36086522,
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{
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"structure_string": "Pb2 Se1 S1\n1.0\n4.325134 0.000000 0.000000\n0.000000 4.325134 0.000000\n0.000000 0.000000 6.135892\nPb Se S\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.500000 S\n",
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