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{
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{
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],
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"volume": 775.616724116721,
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"formula_full": "Ba4 Na4 B20 O36",
"formula_reduced": "BaNaB5O9",
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"spacegroup": 14
},
{
"id": "mp-654301",
"created_at": "2022-09-04T14:48:16.403081Z",
"structure_string": "Nb10 P14 O60\n1.0\n8.875197 0.000000 0.000000\n-0.005144 8.933503 0.000000\n-4.410362 -0.442900 15.260706\nNb P O\n10 14 60\ndirect\n0.206399 0.962639 0.904439 Nb\n0.794476 0.038957 0.095448 Nb\n0.299190 0.538728 0.094868 Nb\n0.918637 0.554229 0.326354 Nb\n0.592592 0.946434 0.672588 Nb\n0.404565 0.053288 0.326788 Nb\n0.699661 0.462668 0.904550 Nb\n0.499451 0.500247 0.499653 Nb\n0.999725 0.001364 0.499898 Nb\n0.079462 0.446695 0.673516 Nb\n0.251938 0.409413 0.289019 P\n0.320240 0.231512 0.594976 P\n0.552167 0.104152 0.881460 P\n0.678264 0.769983 0.404592 P\n0.447422 0.896621 0.118026 P\n0.028214 0.251118 0.999521 P\n0.972172 0.750181 0.000393 P\n0.035591 0.908147 0.289023 P\n0.725805 0.269094 0.404691 P\n0.330007 0.605222 0.881377 P\n0.272662 0.730246 0.595233 P\n0.746035 0.590742 0.710305 P\n0.962803 0.090556 0.711072 P\n0.666372 0.396756 0.117145 P\n0.203461 0.927479 0.283379 O\n0.339075 0.932551 0.025889 O\n0.710740 0.496347 0.784693 O\n0.423617 0.725691 0.131674 O\n0.896392 0.333963 0.933922 O\n0.614138 0.660458 0.460961 O\n0.729365 0.679177 0.333992 O\n0.896411 0.863435 0.051338 O\n0.378878 0.088009 0.886607 O\n0.609211 0.914779 0.567214 O\n0.978770 0.024886 0.622511 O\n0.176189 0.148877 0.533675 O\n0.289853 0.501949 0.214835 O\n0.414954 0.996326 0.187586 O\n0.103678 0.137974 0.948423 O\n0.074775 0.996486 0.784800 O\n0.269781 0.323682 0.665073 O\n0.710371 0.754677 0.725654 O\n0.580674 0.004428 0.810541 O\n0.356740 0.474982 0.377331 O\n0.705639 0.226364 0.131145 O\n0.919465 0.571728 0.715572 O\n0.960602 0.412913 0.568486 O\n0.821192 0.855340 0.465521 O\n0.849426 0.162749 0.460806 O\n0.385735 0.339227 0.538695 O\n0.685656 0.433946 0.025819 O\n0.228245 0.504377 0.812201 O\n0.077871 0.429644 0.282585 O\n0.603596 0.175732 0.335724 O\n0.766720 0.496782 0.187447 O\n0.577664 0.274369 0.867546 O\n0.035358 0.589419 0.432562 O\n0.448561 0.124657 0.640631 O\n0.984009 0.744857 0.272833 O\n0.153167 0.841022 0.540190 O\n0.923963 0.003744 0.215707 O\n0.961596 0.168791 0.065733 O\n0.397036 0.818613 0.665188 O\n0.644785 0.353905 0.466456 O\n0.488504 0.414302 0.112286 O\n0.507904 0.586183 0.886349 O\n0.844058 0.639132 0.949175 O\n0.039998 0.830761 0.934467 O\n0.641226 0.524722 0.621930 O\n0.620607 0.915321 0.112888 O\n0.021925 0.972640 0.378130 O\n0.285591 0.244069 0.274384 O\n0.188754 0.626661 0.642230 O\n0.547039 0.873257 0.357915 O\n0.351240 0.644797 0.532361 O\n0.012490 0.254944 0.726033 O\n0.291730 0.775258 0.865852 O\n0.806283 0.374606 0.356923 O\n0.392664 0.088052 0.432804 O\n0.156910 0.360951 0.051180 O\n0.662735 0.066267 0.973021 O\n0.102288 0.666734 0.067281 O\n0.309661 0.570845 0.973028 O\n0.795966 0.070371 0.718400 O\n",
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"elements": [
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],
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"density": 3.187574990446983,
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"formula_full": "Nb10 P14 O60",
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},
{
"id": "mp-28938",
"created_at": "2022-09-04T14:47:27.491191Z",
"structure_string": "Nb6 Te2 Cl14\n1.0\n3.492851 -6.049795 0.000000\n3.492851 6.049795 0.000000\n0.000000 0.000000 13.792090\nNb Te Cl\n6 2 14\ndirect\n0.526912 0.473088 0.758635 Nb\n0.526912 0.053823 0.758635 Nb\n0.473088 0.526912 0.241365 Nb\n0.473088 0.946177 0.241365 Nb\n0.053823 0.526912 0.241365 Nb\n0.946177 0.473088 0.758635 Nb\n0.666667 0.333333 0.603397 Te\n0.333333 0.666667 0.396603 Te\n0.832472 0.167528 0.334558 Cl\n0.832472 0.664944 0.334558 Cl\n0.335056 0.167528 0.334558 Cl\n0.664944 0.832472 0.665442 Cl\n0.167528 0.335056 0.665442 Cl\n0.167528 0.832472 0.665442 Cl\n0.169325 0.830675 0.126349 Cl\n0.169325 0.338651 0.126349 Cl\n0.333333 0.666667 0.858239 Cl\n0.666667 0.333333 0.141761 Cl\n0.830675 0.169325 0.873651 Cl\n0.830675 0.661349 0.873651 Cl\n0.338651 0.169325 0.873651 Cl\n0.661349 0.830675 0.126349 Cl\n",
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{
"id": "mp-1201453",
"created_at": "2022-09-04T14:47:59.605739Z",
"structure_string": "Mn2 Zn2 H44 C10 N20 Cl8 O12\n1.0\n7.820631 0.000000 0.000000\n-2.651868 12.245170 0.000000\n-3.086507 -5.430898 12.432448\nMn Zn H C N Cl O\n2 2 44 10 20 8 12\ndirect\n0.972573 0.773999 0.749275 Mn\n0.027427 0.226001 0.250725 Mn\n0.538215 0.277832 0.699424 Zn\n0.461785 0.722168 0.300576 Zn\n0.022252 0.785807 0.383920 H\n0.977748 0.214193 0.616080 H\n0.889572 0.862003 0.449984 H\n0.110428 0.137997 0.550016 H\n0.222238 0.719015 0.601360 H\n0.777762 0.280985 0.398640 H\n0.218833 0.706541 0.471549 H\n0.781167 0.293459 0.528451 H\n0.470922 0.909853 0.810801 H\n0.529078 0.090147 0.189199 H\n0.475494 0.000591 0.741380 H\n0.524506 0.999409 0.258620 H\n0.796377 0.910085 0.623801 H\n0.203623 0.089915 0.376199 H\n0.647629 0.997742 0.633801 H\n0.352371 0.002258 0.366199 H\n0.483025 0.556871 0.768891 H\n0.516975 0.443129 0.231109 H\n0.530040 0.692345 0.754745 H\n0.469960 0.307655 0.245255 H\n0.030841 0.545932 0.775407 H\n0.969159 0.454068 0.224593 H\n0.193733 0.469448 0.773057 H\n0.806267 0.530552 0.226943 H\n0.278079 0.114067 0.062502 H\n0.721921 0.885933 0.937498 H\n0.339227 0.219126 0.012968 H\n0.660773 0.780874 0.987032 H\n0.141022 0.022500 0.739825 H\n0.858978 0.977500 0.260175 H\n0.273827 0.168510 0.830699 H\n0.726173 0.831490 0.169301 H\n0.933634 0.620045 0.054455 H\n0.066366 0.379955 0.945545 H\n0.774424 0.540473 0.924976 H\n0.225576 0.459527 0.075024 H\n0.162521 0.792488 0.090113 H\n0.837479 0.207512 0.909887 H\n0.168631 0.847159 0.989142 H\n0.831369 0.152841 0.010858 H\n0.723243 0.539574 0.611597 H\n0.276757 0.460426 0.388403 H\n0.731143 0.618689 0.544932 H\n0.268857 0.381311 0.455068 H\n0.056422 0.800517 0.539486 C\n0.943578 0.199483 0.460514 C\n0.664288 0.910452 0.734796 C\n0.335712 0.089548 0.265204 C\n0.269785 0.630683 0.760783 C\n0.730215 0.369317 0.239217 C\n0.211931 0.047642 0.898588 C\n0.788069 0.952358 0.101412 C\n0.964608 0.691324 0.942581 C\n0.035392 0.308676 0.057419 C\n0.986528 0.819129 0.451446 N\n0.013472 0.180871 0.548554 N\n0.179068 0.739621 0.537397 N\n0.820932 0.260379 0.462603 N\n0.545689 0.958651 0.780139 N\n0.454311 0.041349 0.219861 N\n0.716205 0.949115 0.663499 N\n0.283795 0.050885 0.336501 N\n0.443712 0.628704 0.767081 N\n0.556288 0.371296 0.232919 N\n0.149987 0.536502 0.761485 N\n0.850013 0.463498 0.238515 N\n0.304028 0.131473 0.999905 N\n0.695972 0.868527 0.000095 N\n0.206113 0.082964 0.816945 N\n0.793887 0.917036 0.183055 N\n0.879101 0.614359 0.978558 N\n0.120899 0.385641 0.021442 N\n0.116835 0.781335 0.011873 N\n0.883165 0.218665 0.988127 N\n0.510436 0.371173 0.581716 Cl\n0.489564 0.628827 0.418284 Cl\n0.373109 0.080767 0.608181 Cl\n0.626891 0.919233 0.391819 Cl\n0.845603 0.292962 0.759816 Cl\n0.154397 0.707038 0.240184 Cl\n0.441104 0.367911 0.839736 Cl\n0.558896 0.632089 0.160264 Cl\n0.007915 0.841404 0.623515 O\n0.992085 0.158596 0.376485 O\n0.726944 0.836297 0.764395 O\n0.273056 0.163703 0.235605 O\n0.223145 0.720299 0.753698 O\n0.776855 0.279701 0.246302 O\n0.140393 0.939797 0.883506 O\n0.859607 0.060203 0.116494 O\n0.899505 0.677257 0.845025 O\n0.100495 0.322743 0.154975 O\n0.803488 0.608523 0.606821 O\n0.196512 0.391477 0.393179 O\n",
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"formula_full": "Mn2 Zn2 H44 C10 N20 Cl8 O12",
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{
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"structure_string": "In2 P4 H18 N4 O16\n1.0\n0.000000 4.877706 8.911137\n4.662929 0.000000 8.911137\n4.662929 4.877706 0.000000\nIn P H N O\n2 4 18 4 16\ndirect\n0.398117 0.101883 0.398117 In\n0.148117 0.851883 0.148117 In\n0.959138 0.636814 0.288335 P\n0.288335 0.115713 0.959138 P\n0.613186 0.290862 0.134287 P\n0.134287 0.961665 0.613186 P\n0.025218 0.474782 0.025218 H\n0.775218 0.224782 0.775218 H\n0.624940 0.010349 0.745393 H\n0.745393 0.619318 0.624940 H\n0.239651 0.625060 0.630682 H\n0.630682 0.504607 0.239651 H\n0.858429 0.821108 0.840019 H\n0.840019 0.480444 0.858429 H\n0.428892 0.391571 0.769556 H\n0.769556 0.409981 0.428892 H\n0.791345 0.025984 0.674238 H\n0.674238 0.508432 0.791345 H\n0.224016 0.458655 0.741568 H\n0.741568 0.575762 0.224016 H\n0.854197 0.848882 0.573700 H\n0.573700 0.723221 0.854197 H\n0.401118 0.395803 0.526779 H\n0.526779 0.676300 0.401118 H\n0.782972 0.925610 0.708937 N\n0.708937 0.582481 0.782972 N\n0.324390 0.467028 0.667519 N\n0.667519 0.541063 0.324390 N\n0.083220 0.419555 0.416612 O\n0.416612 0.080614 0.083220 O\n0.830445 0.166780 0.169386 O\n0.169386 0.833388 0.830445 O\n0.723386 0.780777 0.395639 O\n0.395639 0.100198 0.723386 O\n0.469223 0.526614 0.149802 O\n0.149802 0.854361 0.469223 O\n0.023430 0.730300 0.300685 O\n0.300685 0.945586 0.023430 O\n0.519700 0.226570 0.304414 O\n0.304414 0.949315 0.519700 O\n0.986496 0.617019 0.051304 O\n0.051304 0.345180 0.986496 O\n0.632981 0.263504 0.904820 O\n0.904820 0.198696 0.632981 O\n",
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