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{
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{
"id": "mp-631247",
"created_at": "2022-09-04T14:42:54.811082Z",
"structure_string": "Li4 V4 Te4 O20\n1.0\n6.009154 0.000000 0.000000\n0.000000 8.280864 0.000000\n0.000000 0.000000 10.555657\nLi V Te O\n4 4 4 20\ndirect\n0.154485 0.079623 0.944068 Li\n0.845515 0.579623 0.555932 Li\n0.654485 0.420377 0.055932 Li\n0.345515 0.920377 0.444068 Li\n0.956384 0.985096 0.645002 V\n0.456384 0.514904 0.354998 V\n0.043616 0.485096 0.854998 V\n0.543616 0.014904 0.145002 V\n0.871632 0.143542 0.363177 Te\n0.628368 0.856458 0.863177 Te\n0.128368 0.643542 0.136823 Te\n0.371632 0.356458 0.636823 Te\n0.430634 0.021902 0.859528 O\n0.271428 0.007384 0.115831 O\n0.149946 0.309653 0.900062 O\n0.228572 0.992616 0.615831 O\n0.649946 0.190347 0.099938 O\n0.069366 0.978098 0.359528 O\n0.771428 0.492616 0.884169 O\n0.850054 0.809653 0.599938 O\n0.728572 0.507384 0.384169 O\n0.106816 0.492008 0.681298 O\n0.679967 0.852399 0.047387 O\n0.893184 0.992008 0.818702 O\n0.320033 0.352399 0.452613 O\n0.179967 0.647601 0.952613 O\n0.569366 0.521902 0.640472 O\n0.606816 0.007992 0.318702 O\n0.393184 0.507992 0.181298 O\n0.930634 0.478098 0.140472 O\n0.820033 0.147601 0.547387 O\n0.350054 0.690347 0.400062 O\n",
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{
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"created_at": "2022-09-04T14:42:58.254302Z",
"structure_string": "Sr8 Fe4 Br4 O12\n1.0\n-3.975120 3.973467 -0.001277\n-3.975039 -3.973386 0.000244\n-3.973065 -0.002914 15.603861\nSr Fe Br O\n8 4 4 12\ndirect\n0.158605 0.408946 0.681963 Sr\n0.658612 0.908911 0.681963 Sr\n0.341392 0.091052 0.318036 Sr\n0.841388 0.591084 0.318035 Sr\n0.455672 0.205792 0.088544 Sr\n0.955671 0.705820 0.088538 Sr\n0.044329 0.294213 0.911456 Sr\n0.544335 0.794182 0.911460 Sr\n0.095984 0.846071 0.807876 Fe\n0.404024 0.653940 0.192127 Fe\n0.595923 0.345933 0.807926 Fe\n0.904066 0.154060 0.192090 Fe\n0.296022 0.545436 0.409121 Br\n0.796025 0.045436 0.409125 Br\n0.203975 0.954560 0.590872 Br\n0.703973 0.454562 0.590873 Br\n0.465428 0.715477 0.069137 O\n0.965425 0.215486 0.069142 O\n0.034575 0.784527 0.930862 O\n0.534574 0.284513 0.930860 O\n0.856547 0.606616 0.786531 O\n0.356578 0.106650 0.786531 O\n0.356567 0.606626 0.786499 O\n0.856538 0.106655 0.786499 O\n0.143434 0.893375 0.213499 O\n0.643464 0.393345 0.213500 O\n0.643453 0.893383 0.213468 O\n0.143422 0.393350 0.213467 O\n",
"nsites": 28,
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],
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"volume": 492.9324665122417,
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"formula_full": "Sr8 Fe4 Br4 O12",
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},
{
"id": "mp-1245205",
"created_at": "2022-09-04T14:44:57.126321Z",
"structure_string": "Na68 O34\n1.0\n12.557668 0.510231 -0.219210\n0.479376 11.847917 0.489468\n-0.199799 0.514099 12.434381\nNa O\n68 34\ndirect\n0.049743 0.837548 0.345194 Na\n0.107365 0.171210 0.671897 Na\n0.011403 0.574965 0.874999 Na\n0.070112 0.111988 0.380623 Na\n0.823414 0.176298 0.879240 Na\n0.589112 0.240226 0.836975 Na\n0.530889 0.615722 0.208027 Na\n0.915163 0.316326 0.278552 Na\n0.902707 0.418483 0.705534 Na\n0.944683 0.369975 0.976516 Na\n0.629708 0.025959 0.608340 Na\n0.410379 0.805124 0.846048 Na\n0.879103 0.133271 0.141554 Na\n0.939188 0.885837 0.141252 Na\n0.284261 0.208244 0.448297 Na\n0.334239 0.647694 0.054387 Na\n0.350436 0.221710 0.939826 Na\n0.626082 0.778912 0.686172 Na\n0.510847 0.977406 0.023558 Na\n0.108913 0.956171 0.596088 Na\n0.433816 0.160224 0.144304 Na\n0.208700 0.646287 0.749164 Na\n0.859670 0.009046 0.699883 Na\n0.809476 0.801314 0.548631 Na\n0.642354 0.914015 0.348069 Na\n0.103289 0.299631 0.112716 Na\n0.975428 0.811233 0.706108 Na\n0.138506 0.178339 0.916315 Na\n0.712210 0.437597 0.246621 Na\n0.094976 0.046141 0.127486 Na\n0.369256 0.908505 0.572903 Na\n0.257951 0.400616 0.257758 Na\n0.046136 0.686761 0.063729 Na\n0.975907 0.011147 0.929907 Na\n0.163367 0.891619 0.862231 Na\n0.005425 0.553465 0.238741 Na\n0.466330 0.404644 0.377886 Na\n0.249846 0.641285 0.308926 Na\n0.823147 0.233340 0.580123 Na\n0.358206 0.071684 0.710848 Na\n0.518255 0.106836 0.355351 Na\n0.950804 0.555511 0.482103 Na\n0.868731 0.995234 0.404905 Na\n0.787567 0.575213 0.052652 Na\n0.111983 0.415381 0.680889 Na\n0.814281 0.827649 0.936316 Na\n0.092551 0.693180 0.537276 Na\n0.258209 0.155267 0.242471 Na\n0.586683 0.664365 0.451858 Na\n0.280214 0.919742 0.075299 Na\n0.472664 0.842671 0.217903 Na\n0.587735 0.270770 0.609512 Na\n0.821788 0.647401 0.731559 Na\n0.352179 0.353982 0.705333 Na\n0.694045 0.848730 0.142641 Na\n0.694384 0.224111 0.364872 Na\n0.437866 0.577540 0.714602 Na\n0.657852 0.977007 0.811198 Na\n0.643608 0.474939 0.646759 Na\n0.756071 0.490192 0.462460 Na\n0.495250 0.450833 0.912532 Na\n0.226356 0.453911 0.924156 Na\n0.675418 0.344617 0.047597 Na\n0.071437 0.387420 0.426443 Na\n0.796368 0.668535 0.270710 Na\n0.474115 0.392950 0.146031 Na\n0.658720 0.119801 0.117161 Na\n0.559974 0.680535 0.989390 Na\n0.259435 0.118015 0.067840 O\n0.978969 0.858233 0.517638 O\n0.514185 0.395828 0.732220 O\n0.983221 0.184847 0.000172 O\n0.631981 0.374018 0.463301 O\n0.980581 0.011097 0.265903 O\n0.223421 0.296942 0.802468 O\n0.495868 0.927221 0.715062 O\n0.121415 0.273686 0.298144 O\n0.075690 0.488904 0.031906 O\n0.690292 0.968302 0.989857 O\n0.544659 0.007310 0.205262 O\n0.789561 0.837514 0.745911 O\n0.139173 0.820184 0.142755 O\n0.626406 0.739764 0.291716 O\n0.696526 0.045434 0.449592 O\n0.431864 0.811377 0.034110 O\n0.101079 0.596414 0.389114 O\n0.244861 0.068430 0.566053 O\n0.375392 0.536732 0.227455 O\n0.348167 0.601735 0.868671 O\n0.032346 0.601173 0.699771 O\n0.617621 0.519133 0.081218 O\n0.038177 0.992533 0.761660 O\n0.515883 0.262773 0.005096 O\n0.985343 0.324493 0.582807 O\n0.758359 0.260401 0.198764 O\n0.799135 0.016441 0.006188 O\n0.098030 0.874297 0.030475 O\n0.861605 0.728057 0.104573 O\n0.717427 0.151119 0.722698 O\n0.866655 0.492789 0.328154 O\n0.717416 0.633527 0.583290 O\n0.394433 0.251730 0.306504 O\n",
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"formula_full": "Na68 O34",
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"spacegroup": 1
},
{
"id": "mp-1023954",
"created_at": "2022-09-04T14:43:03.443761Z",
"structure_string": "Mo1 W1 S4\n1.0\n1.594205 -2.761244 0.000000\n1.594205 2.761244 0.000000\n0.000000 0.000000 22.370032\nMo W S\n1 1 4\ndirect\n0.000000 0.000000 0.150445 Mo\n0.333333 0.666667 0.451418 W\n0.000000 0.000000 0.521772 S\n0.333333 0.666667 0.080401 S\n0.333333 0.666667 0.220481 S\n0.000000 0.000000 0.381087 S\n",
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"formula_full": "Mo1 W1 S4",
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{
"id": "mp-1193468",
"created_at": "2022-09-04T14:43:06.090489Z",
"structure_string": "Na4 Mn4 V4 O16\n1.0\n0.000230 0.000355 -5.383004\n-0.000064 -6.954611 0.000461\n-9.712214 -0.000086 0.000414\nNa Mn V O\n4 4 4 16\ndirect\n0.014428 0.249875 0.351913 Na\n0.485609 0.250084 0.851952 Na\n0.985714 0.750024 0.648057 Na\n0.514264 0.749898 0.148072 Na\n0.499990 0.499955 0.500101 Mn\n0.999761 0.500210 0.999901 Mn\n0.999895 0.000100 0.000091 Mn\n0.500285 0.999924 0.499954 Mn\n0.020580 0.749956 0.319919 V\n0.479239 0.750070 0.819949 V\n0.979384 0.250050 0.680109 V\n0.520706 0.249949 0.180049 V\n0.061390 0.750041 0.137198 O\n0.438622 0.749959 0.637240 O\n0.938536 0.250131 0.862779 O\n0.561451 0.249935 0.362731 O\n0.709673 0.749876 0.377878 O\n0.790271 0.750038 0.877852 O\n0.290339 0.250116 0.622190 O\n0.209731 0.249907 0.122151 O\n0.174862 0.552704 0.385112 O\n0.325033 0.947312 0.885177 O\n0.825258 0.052784 0.614812 O\n0.674835 0.447256 0.114784 O\n0.825287 0.447258 0.614842 O\n0.674766 0.052710 0.114822 O\n0.174902 0.947035 0.385199 O\n0.325189 0.552843 0.885167 O\n",
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{
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"structure_string": "I4 O4 F12\n1.0\n5.776728 0.000000 0.000000\n0.000000 5.803898 0.000000\n0.000000 0.000000 10.625604\nI O F\n4 4 12\ndirect\n0.177948 0.070245 0.099155 I\n0.677948 0.429755 0.900845 I\n0.822052 0.570245 0.400845 I\n0.322052 0.929755 0.599155 I\n0.324617 0.308146 0.031182 O\n0.175383 0.691854 0.531182 O\n0.675383 0.808146 0.468818 O\n0.824617 0.191854 0.968818 O\n0.355647 0.846887 0.000860 F\n0.103514 0.996555 0.726343 F\n0.144353 0.153113 0.500860 F\n0.539852 0.230211 0.770113 F\n0.960148 0.769789 0.270113 F\n0.460148 0.730211 0.729887 F\n0.896486 0.496555 0.773657 F\n0.855647 0.653113 0.999140 F\n0.039852 0.269789 0.229887 F\n0.603514 0.503445 0.273657 F\n0.644353 0.346887 0.499140 F\n0.396486 0.003445 0.226343 F\n",
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{
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"structure_string": "Ba1 Sr1 Nb1 Sb1 O6\n1.0\n0.000000 -4.277323 -4.277323\n4.277323 0.000000 -4.277323\n4.277323 -4.277323 0.000000\nBa Sr Nb Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Sb\n0.764270 0.235730 0.235730 O\n0.235730 0.764270 0.764270 O\n0.764270 0.235730 0.764270 O\n0.235730 0.764270 0.235730 O\n0.764270 0.764270 0.235730 O\n0.235730 0.235730 0.764270 O\n",
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{
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"created_at": "2022-09-04T14:42:50.769055Z",
"structure_string": "K2 Mg1 Zn4 P4 H2 O16\n1.0\n-5.313700 0.066238 -1.075635\n3.076395 -8.548589 -1.122359\n0.032274 0.019588 9.612086\nK Mg Zn P H O\n2 1 4 4 2 16\ndirect\n0.405136 0.681687 0.689179 K\n0.594864 0.318313 0.310821 K\n0.500000 0.000000 0.500000 Mg\n0.216784 0.616233 0.229943 Zn\n0.783216 0.383767 0.770057 Zn\n0.689851 0.888089 0.111414 Zn\n0.310149 0.111911 0.888586 Zn\n0.086313 0.757974 0.948262 P\n0.913687 0.242026 0.051738 P\n0.842468 0.743998 0.390126 P\n0.157532 0.256002 0.609874 P\n0.969582 0.913779 0.600521 H\n0.030418 0.086221 0.399479 H\n0.976872 0.400323 0.152971 O\n0.023128 0.599677 0.847029 O\n0.291248 0.766111 0.096702 O\n0.708752 0.233889 0.903298 O\n0.752485 0.110983 0.120301 O\n0.247515 0.889017 0.879699 O\n0.826642 0.777288 0.975085 O\n0.173357 0.222712 0.024915 O\n0.570814 0.610477 0.326298 O\n0.429186 0.389523 0.673702 O\n0.872349 0.887653 0.315795 O\n0.127651 0.112347 0.684205 O\n0.074461 0.680515 0.392763 O\n0.925539 0.319485 0.607237 O\n0.851258 0.801609 0.556764 O\n0.148742 0.198391 0.443236 O\n",
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