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{
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{
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{
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"formula_full": "Li2 La1 Ta2 O7",
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"updated_at": "2021-11-28T01:34:55.275000Z",
"spacegroup": 139
},
{
"id": "mp-531591",
"created_at": "2022-09-04T14:40:15.341770Z",
"structure_string": "Mn20 V10 O40\n1.0\n5.356556 0.034395 3.093817\n1.824227 5.026834 3.083829\n0.041821 -0.032736 30.867964\nMn V O\n20 10 40\ndirect\n0.258543 0.254064 0.047768 Mn\n0.140116 0.622752 0.124019 Mn\n0.247716 0.247131 0.251367 Mn\n0.011216 0.011172 0.397947 Mn\n0.627692 0.130300 0.125164 Mn\n0.625901 0.621394 0.124559 Mn\n0.239432 0.240068 0.452359 Mn\n0.622705 0.618857 0.226354 Mn\n0.006966 0.006897 0.598225 Mn\n0.625791 0.625663 0.324586 Mn\n0.008057 0.000556 0.800677 Mn\n0.624200 0.624274 0.424734 Mn\n0.243545 0.240654 0.651801 Mn\n0.625816 0.626016 0.524428 Mn\n0.624339 0.624756 0.624832 Mn\n0.228264 0.256668 0.849731 Mn\n0.625834 0.622790 0.724992 Mn\n0.617841 0.126606 0.926158 Mn\n0.622213 0.631182 0.824832 Mn\n0.615138 0.622097 0.926512 Mn\n0.001872 0.989800 0.002876 V\n0.005571 0.002046 0.199945 V\n0.635832 0.615096 0.026548 V\n0.129213 0.626604 0.325548 V\n0.627056 0.128444 0.325559 V\n0.125377 0.623043 0.524985 V\n0.622835 0.125476 0.525024 V\n0.122916 0.625333 0.725200 V\n0.627699 0.124284 0.724405 V\n0.130929 0.621951 0.923039 V\n0.414373 0.398501 0.069159 O\n0.409948 0.844117 0.069403 O\n0.386216 0.383806 0.170639 O\n0.851065 0.394848 0.071254 O\n0.376912 0.374641 0.282948 O\n0.364636 0.881333 0.175557 O\n0.357968 0.833356 0.281519 O\n0.881736 0.871327 0.074802 O\n0.373495 0.374524 0.368683 O\n0.886122 0.361007 0.175387 O\n0.834266 0.356929 0.281573 O\n0.882997 0.878109 0.177902 O\n0.373812 0.372982 0.481418 O\n0.425945 0.893855 0.366829 O\n0.355465 0.829540 0.481177 O\n0.372779 0.374118 0.568690 O\n0.892545 0.891142 0.271801 O\n0.894410 0.425937 0.366587 O\n0.877216 0.878071 0.367908 O\n0.829140 0.356030 0.480967 O\n0.375189 0.371254 0.682026 O\n0.419028 0.896151 0.568123 O\n0.356103 0.829356 0.681153 O\n0.895440 0.419393 0.568113 O\n0.879086 0.877854 0.480828 O\n0.374819 0.373258 0.767322 O\n0.876505 0.878576 0.567215 O\n0.832276 0.353570 0.680894 O\n0.341048 0.404246 0.879965 O\n0.421567 0.892742 0.769007 O\n0.336900 0.845039 0.881194 O\n0.896769 0.415939 0.768798 O\n0.877418 0.874388 0.681031 O\n0.342187 0.408507 0.967312 O\n0.880585 0.878939 0.767390 O\n0.827548 0.390266 0.877602 O\n0.370170 0.863390 0.979770 O\n0.881536 0.364577 0.978462 O\n0.875477 0.843477 0.886284 O\n0.878678 0.858927 0.979134 O\n",
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"elements": [
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],
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"density": 4.503515262431984,
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"formula_full": "Mn20 V10 O40",
"formula_reduced": "Mn2VO4",
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"spacegroup": 1
},
{
"id": "mp-1222206",
"created_at": "2022-09-04T14:40:15.388802Z",
"structure_string": "Mn10 Si3 Ge3\n1.0\n3.509354 -6.078379 0.000000\n3.509354 6.078379 0.000000\n0.000000 0.000000 4.884964\nMn Si Ge\n10 3 3\ndirect\n0.000000 0.756529 0.000000 Mn\n0.243471 0.243471 0.000000 Mn\n0.756529 0.000000 0.000000 Mn\n0.000000 0.243100 0.500000 Mn\n0.756900 0.756900 0.500000 Mn\n0.243100 0.000000 0.500000 Mn\n0.333333 0.666667 0.255756 Mn\n0.666667 0.333333 0.255756 Mn\n0.666667 0.333333 0.744244 Mn\n0.333333 0.666667 0.744244 Mn\n0.000000 0.604967 0.500000 Si\n0.395033 0.395033 0.500000 Si\n0.604967 0.000000 0.500000 Si\n0.000000 0.398231 0.000000 Ge\n0.601769 0.601769 0.000000 Ge\n0.398231 0.000000 0.000000 Ge\n",
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"elements": [
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"density": 6.785103506284721,
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"formula_full": "Mn10 Si3 Ge3",
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{
"id": "mp-1224391",
"created_at": "2022-09-04T14:40:32.974963Z",
"structure_string": "Hf4 N3\n1.0\n10.605957 -1.598054 0.000000\n10.605957 1.598054 0.000000\n10.365170 0.000000 2.757418\nHf N\n4 3\ndirect\n0.625601 0.625601 0.625601 Hf\n0.374826 0.374826 0.374826 Hf\n0.791040 0.791040 0.791040 Hf\n0.206381 0.206381 0.206381 Hf\n0.500704 0.500704 0.500704 N\n0.001880 0.001880 0.001880 N\n0.914568 0.914568 0.914568 N\n",
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"elements": [
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"density": 13.430294825587223,
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{
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"structure_string": "Li10 Ge2 P6\n1.0\n2.930571 6.507137 0.000000\n-2.930571 6.507137 0.000000\n0.000000 2.652390 7.907124\nLi Ge P\n10 2 6\ndirect\n0.584800 0.080433 0.086782 Li\n0.587120 0.083146 0.577951 Li\n0.919567 0.415200 0.413218 Li\n0.916854 0.412880 0.922049 Li\n0.083146 0.587120 0.077951 Li\n0.254294 0.745706 0.750000 Li\n0.080433 0.584800 0.586782 Li\n0.412880 0.916854 0.422049 Li\n0.745706 0.254294 0.250000 Li\n0.415200 0.919567 0.913218 Li\n0.233102 0.766898 0.250000 Ge\n0.766898 0.233102 0.750000 Ge\n0.138643 0.178910 0.673455 P\n0.861357 0.821090 0.326545 P\n0.178910 0.138643 0.173455 P\n0.500000 0.500000 0.000000 P\n0.821090 0.861357 0.826545 P\n0.500000 0.500000 0.500000 P\n",
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{
"id": "mp-1245346",
"created_at": "2022-09-04T14:40:15.239007Z",
"structure_string": "Mn12 Co32 N36\n1.0\n5.825857 0.000000 0.128823\n0.000000 8.424671 0.000000\n-3.710593 0.000000 15.593719\nMn Co N\n12 32 36\ndirect\n0.556710 0.130070 0.740687 Mn\n0.443290 0.630070 0.759313 Mn\n0.443290 0.869930 0.259313 Mn\n0.556710 0.369930 0.240687 Mn\n0.759395 0.822386 0.552842 Mn\n0.240605 0.322386 0.947158 Mn\n0.240605 0.177614 0.447158 Mn\n0.759395 0.677614 0.052842 Mn\n0.731501 0.428790 0.568784 Mn\n0.268499 0.928790 0.931216 Mn\n0.268499 0.571210 0.431216 Mn\n0.731501 0.071210 0.068784 Mn\n0.431297 0.821705 0.103103 Co\n0.568703 0.321705 0.396897 Co\n0.568703 0.178295 0.896897 Co\n0.431297 0.678295 0.603103 Co\n0.559721 0.100288 0.571977 Co\n0.440279 0.600288 0.928023 Co\n0.440279 0.899712 0.428023 Co\n0.559721 0.399712 0.071977 Co\n0.823211 0.885216 0.724914 Co\n0.176789 0.385216 0.775086 Co\n0.176789 0.114784 0.275086 Co\n0.823211 0.614784 0.224914 Co\n0.683266 0.407113 0.717176 Co\n0.316734 0.907113 0.782824 Co\n0.316734 0.592887 0.282824 Co\n0.683266 0.092887 0.217176 Co\n0.747458 0.453726 0.878279 Co\n0.252542 0.953726 0.621721 Co\n0.252542 0.546274 0.121721 Co\n0.747458 0.046274 0.378279 Co\n0.963898 0.115379 0.874080 Co\n0.036102 0.615379 0.625920 Co\n0.036102 0.884621 0.125920 Co\n0.963898 0.384621 0.374080 Co\n0.008624 0.193276 0.641623 Co\n0.991376 0.693276 0.858377 Co\n0.991376 0.806724 0.358377 Co\n0.008624 0.306724 0.141623 Co\n0.180632 0.384265 0.548990 Co\n0.819368 0.884265 0.951010 Co\n0.819368 0.615735 0.451010 Co\n0.180632 0.115735 0.048990 Co\n0.476985 0.451791 0.613384 N\n0.523015 0.951791 0.886616 N\n0.523015 0.548209 0.386616 N\n0.476985 0.048209 0.113384 N\n0.500951 0.312188 0.790342 N\n0.499049 0.812188 0.709658 N\n0.499049 0.687812 0.209658 N\n0.500951 0.187812 0.290342 N\n0.848528 0.107801 0.971607 N\n0.151472 0.607801 0.528393 N\n0.151472 0.892199 0.028393 N\n0.848528 0.392199 0.471607 N\n0.456210 0.874860 0.545629 N\n0.543790 0.374860 0.954371 N\n0.543790 0.125140 0.454371 N\n0.456210 0.625140 0.045629 N\n0.766214 0.088202 0.674265 N\n0.233786 0.588202 0.825735 N\n0.233786 0.911798 0.325735 N\n0.766214 0.411798 0.174265 N\n0.970805 0.409949 0.665423 N\n0.029195 0.909949 0.834577 N\n0.029195 0.590051 0.334577 N\n0.970805 0.090051 0.165423 N\n0.998644 0.327992 0.858166 N\n0.001356 0.827992 0.641834 N\n0.001356 0.672008 0.141834 N\n0.998644 0.172008 0.358166 N\n0.207613 0.152335 0.554276 N\n0.792387 0.652335 0.945724 N\n0.792387 0.847665 0.445724 N\n0.207613 0.347665 0.054276 N\n0.249191 0.086843 0.713265 N\n0.750809 0.586843 0.786735 N\n0.750809 0.913157 0.286735 N\n0.249191 0.413157 0.213265 N\n",
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"elements": [
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"density": 6.581368031667438,
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"volume": 769.3812822124913,
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"formula_full": "Mn12 Co32 N36",
"formula_reduced": "Mn3Co8N9",
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"energy": -635.97504594,
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"spacegroup": 14
},
{
"id": "mp-768717",
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