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{
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{
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"formula_full": "Na6 V10 O20",
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},
{
"id": "mp-1227056",
"created_at": "2022-09-04T14:47:07.598881Z",
"structure_string": "Ce2 Co1 Ge4 Ru3\n1.0\n4.206856 0.000000 0.000000\n0.000000 4.206856 0.000000\n0.000000 0.000000 10.068445\nCe Co Ge Ru\n2 1 4 3\ndirect\n0.500000 0.000000 0.749652 Ce\n0.000000 0.500000 0.250348 Ce\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.880905 Ge\n0.500000 0.000000 0.377821 Ge\n0.500000 0.000000 0.119095 Ge\n0.000000 0.500000 0.622179 Ge\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 10,
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"elements": [
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"volume": 178.18768883952717,
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"formula_full": "Ce2 Co1 Ge4 Ru3",
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},
{
"id": "mp-1028052",
"created_at": "2022-09-04T14:47:07.652399Z",
"structure_string": "Li1 Y1 Mg14\n1.0\n6.494843 0.029285 0.000000\n-3.222060 5.580771 0.000000\n0.000000 0.000000 10.382477\nLi Y Mg\n1 1 14\ndirect\n0.175105 0.837552 0.125000 Li\n0.163225 0.331612 0.125000 Y\n0.166456 0.333228 0.625000 Mg\n0.166009 0.833004 0.625000 Mg\n0.657412 0.320899 0.125000 Mg\n0.666906 0.334087 0.625000 Mg\n0.657412 0.836512 0.125000 Mg\n0.666906 0.832819 0.625000 Mg\n0.335029 0.165838 0.378681 Mg\n0.335029 0.165838 0.871319 Mg\n0.335029 0.669193 0.378681 Mg\n0.335029 0.669193 0.871319 Mg\n0.833641 0.166821 0.379895 Mg\n0.833641 0.166821 0.870105 Mg\n0.836585 0.668293 0.368216 Mg\n0.836585 0.668293 0.881784 Mg\n",
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{
"id": "mp-1147754",
"created_at": "2022-09-04T14:47:07.659587Z",
"structure_string": "K3 Cu2 H7\n1.0\n-1.887847 1.887847 10.089423\n1.887847 -1.887847 10.089423\n1.887847 1.887847 -10.089423\nK Cu H\n3 2 7\ndirect\n0.318413 0.318413 0.000000 K\n0.681587 0.681587 0.000000 K\n0.500000 0.500000 0.000000 K\n0.091516 0.091516 0.000000 Cu\n0.908484 0.908484 0.000000 Cu\n0.909964 0.409964 0.500000 H\n0.409964 0.909964 0.500000 H\n0.090036 0.590036 0.500000 H\n0.590036 0.090036 0.500000 H\n0.000000 0.000000 0.000000 H\n0.175859 0.175859 0.000000 H\n0.824141 0.824141 0.000000 H\n",
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"formula_full": "K3 Cu2 H7",
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},
{
"id": "mp-1247193",
"created_at": "2022-09-04T14:47:07.670717Z",
"structure_string": "Mg2 V3 Fe1 S8\n1.0\n6.217111 0.050400 3.674480\n2.118832 5.845550 3.676957\n0.072066 0.053782 7.224512\nMg V Fe S\n2 3 1 8\ndirect\n0.875039 0.875019 0.874739 Mg\n0.124967 0.124977 0.125272 Mg\n0.500018 0.500002 0.999981 V\n0.999975 0.499995 0.500034 V\n0.499996 0.999998 0.500002 V\n0.500025 0.499997 0.499980 Fe\n0.740322 0.739096 0.739086 S\n0.271080 0.270079 0.710472 S\n0.270881 0.710892 0.269959 S\n0.710543 0.271032 0.271155 S\n0.729112 0.289076 0.730048 S\n0.289471 0.728964 0.728819 S\n0.259657 0.260928 0.260927 S\n0.728918 0.729938 0.289525 S\n",
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{
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"structure_string": "Sr4 Mn4 O10\n1.0\n-4.041602 -4.042051 -0.000002\n-4.041603 4.042052 -0.000004\n-0.000006 0.000001 -7.375583\nSr Mn O\n4 4 10\ndirect\n0.999994 0.000006 0.000000 Sr\n0.999994 0.000006 0.499997 Sr\n0.499999 0.500011 0.999999 Sr\n0.499998 0.500011 0.499997 Sr\n0.500030 0.999949 0.750022 Mn\n0.999967 0.500011 0.750007 Mn\n0.500071 0.999883 0.250015 Mn\n0.999990 0.500030 0.249981 Mn\n0.999997 0.500008 0.999988 O\n0.999997 0.500008 0.500002 O\n0.736166 0.236180 0.250000 O\n0.736166 0.236179 0.750000 O\n0.263825 0.763838 0.249998 O\n0.263826 0.763839 0.749998 O\n0.736130 0.763875 0.249999 O\n0.736133 0.763872 0.749998 O\n0.263858 0.236147 0.249999 O\n0.263858 0.236147 0.749998 O\n",
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"formula_full": "Sr4 Mn4 O10",
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{
"id": "mp-726129",
"created_at": "2022-09-04T14:47:07.689674Z",
"structure_string": "Li4 Ti8 Co2 P8 O40\n1.0\n7.269313 0.000000 0.000000\n0.000000 7.390100 0.000000\n0.000000 7.287107 12.960992\nLi Ti Co P O\n4 8 2 8 40\ndirect\n0.997425 0.246526 0.748190 Li\n0.502575 0.246526 0.248190 Li\n0.002575 0.753474 0.251810 Li\n0.497425 0.753474 0.751810 Li\n0.216520 0.711669 0.627566 Ti\n0.267308 0.226498 0.617954 Ti\n0.732692 0.773502 0.382046 Ti\n0.783480 0.288331 0.372434 Ti\n0.232692 0.226498 0.117954 Ti\n0.283480 0.711669 0.127566 Ti\n0.716520 0.288331 0.872434 Ti\n0.767308 0.773502 0.882046 Ti\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.629695 0.500000 0.624624 P\n0.865724 0.998905 0.628624 P\n0.134276 0.001095 0.371376 P\n0.370305 0.500000 0.375376 P\n0.634276 0.998905 0.128624 P\n0.870305 0.500000 0.124624 P\n0.129695 0.500000 0.875376 P\n0.365724 0.001095 0.871376 P\n0.752951 0.400363 0.721474 O\n0.740363 0.909088 0.723251 O\n0.166450 0.479155 0.633135 O\n0.346311 0.996032 0.615940 O\n0.978826 0.823468 0.625557 O\n0.508756 0.328637 0.623885 O\n0.506886 0.674180 0.624743 O\n0.995360 0.163787 0.629685 O\n0.754098 0.597505 0.528855 O\n0.741910 0.101349 0.529949 O\n0.258090 0.898651 0.470051 O\n0.245902 0.402495 0.471145 O\n0.004640 0.836213 0.370315 O\n0.493114 0.325820 0.375257 O\n0.491244 0.671363 0.376115 O\n0.021174 0.176532 0.374443 O\n0.653689 0.003968 0.384060 O\n0.833550 0.520845 0.366865 O\n0.259637 0.090912 0.276749 O\n0.247049 0.599637 0.278526 O\n0.759637 0.909088 0.223251 O\n0.747049 0.400363 0.221474 O\n0.153689 0.996032 0.115940 O\n0.333550 0.479155 0.133135 O\n0.991244 0.328637 0.123885 O\n0.521174 0.823468 0.125557 O\n0.504640 0.163787 0.129685 O\n0.993114 0.674180 0.124743 O\n0.758090 0.101349 0.029949 O\n0.745902 0.597505 0.028855 O\n0.254098 0.402495 0.971145 O\n0.241910 0.898651 0.970051 O\n0.006886 0.325820 0.875257 O\n0.495360 0.836213 0.870315 O\n0.478826 0.176532 0.874443 O\n0.008756 0.671363 0.876115 O\n0.666450 0.520845 0.866865 O\n0.846311 0.003968 0.884060 O\n0.252951 0.599637 0.778526 O\n0.240363 0.090912 0.776749 O\n",
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"formula_full": "Li4 Ti8 Co2 P8 O40",
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{
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"structure_string": "Li8 V12 W4 O32\n1.0\n8.620417 -0.001215 0.001218\n-0.001216 8.585554 -0.000685\n0.001481 -0.001242 8.614066\nLi V W O\n8 12 4 32\ndirect\n0.998732 0.999568 0.999277 Li\n0.250380 0.251569 0.251321 Li\n0.249665 0.748442 0.751132 Li\n0.501061 0.000529 0.498768 Li\n0.498506 0.500402 0.000872 Li\n0.750130 0.249057 0.749101 Li\n0.749382 0.751933 0.249195 Li\n0.001143 0.499128 0.501365 Li\n0.122197 0.127913 0.626055 V\n0.122858 0.379329 0.871623 V\n0.130401 0.625878 0.120308 V\n0.369878 0.373518 0.620123 V\n0.377425 0.620621 0.370913 V\n0.378054 0.871924 0.125790 V\n0.622186 0.372076 0.373607 V\n0.622325 0.121435 0.129079 V\n0.629949 0.873592 0.879694 V\n0.870027 0.126484 0.380570 V\n0.877262 0.879175 0.628842 V\n0.877974 0.628327 0.873723 V\n0.126247 0.875410 0.375294 W\n0.373938 0.124082 0.875396 W\n0.626011 0.624199 0.624506 W\n0.873875 0.375953 0.124415 W\n0.110998 0.106742 0.380408 O\n0.118281 0.889184 0.612644 O\n0.112570 0.613342 0.887149 O\n0.140576 0.139494 0.869830 O\n0.109823 0.383812 0.112067 O\n0.137030 0.362783 0.637159 O\n0.133028 0.643726 0.363132 O\n0.139310 0.867502 0.137710 O\n0.360556 0.131969 0.637677 O\n0.366823 0.356402 0.862698 O\n0.363002 0.636906 0.137000 O\n0.391395 0.616236 0.612190 O\n0.359768 0.860105 0.369507 O\n0.387540 0.386572 0.387093 O\n0.381485 0.110545 0.112626 O\n0.389359 0.892655 0.880189 O\n0.610936 0.392991 0.619543 O\n0.618544 0.610706 0.387166 O\n0.612797 0.886972 0.112690 O\n0.638892 0.360206 0.130515 O\n0.608227 0.116341 0.887582 O\n0.637241 0.136871 0.362937 O\n0.633248 0.856196 0.636803 O\n0.639453 0.632189 0.862074 O\n0.861007 0.367745 0.362246 O\n0.867468 0.145134 0.137173 O\n0.863015 0.863216 0.862926 O\n0.891281 0.884010 0.387563 O\n0.859674 0.639781 0.630242 O\n0.887332 0.113446 0.613258 O\n0.881405 0.389704 0.887668 O\n0.888335 0.606115 0.119706 O\n",
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}