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{
"id": "mp-1246221",
"created_at": "2022-09-04T14:44:54.594654Z",
"structure_string": "Sr6 Bi6 N10\n1.0\n6.377823 0.224589 0.622614\n-0.492243 7.043793 0.128723\n-1.638252 -2.815578 10.465345\nSr Bi N\n6 6 10\ndirect\n0.770720 0.389324 0.552372 Sr\n0.229280 0.610676 0.447628 Sr\n0.658525 0.799080 0.886286 Sr\n0.341475 0.200920 0.113714 Sr\n0.683452 0.788645 0.271614 Sr\n0.316548 0.211355 0.728386 Sr\n0.878458 0.288373 0.900262 Bi\n0.121542 0.711627 0.099738 Bi\n0.728540 0.931689 0.598017 Bi\n0.271460 0.068311 0.401983 Bi\n0.165538 0.741112 0.775026 Bi\n0.834462 0.258888 0.224974 Bi\n0.948409 0.984312 0.770631 N\n0.051591 0.015688 0.229369 N\n0.832502 0.685670 0.468557 N\n0.167498 0.314330 0.531443 N\n0.665835 0.410634 0.785892 N\n0.334165 0.589366 0.214108 N\n0.425580 0.850209 0.682045 N\n0.574420 0.149791 0.317955 N\n0.301856 0.840078 0.970285 N\n0.698144 0.159922 0.029715 N\n",
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{
"id": "mp-573465",
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"structure_string": "Ag40 Te16 Cl8\n1.0\n7.797811 0.000000 0.000000\n0.000000 14.016486 0.000000\n0.000000 0.000000 14.100852\nAg Te Cl\n40 16 8\ndirect\n0.871240 0.928581 0.921224 Ag\n0.008976 0.641518 0.107938 Ag\n0.128760 0.071419 0.078776 Ag\n0.491024 0.358482 0.607938 Ag\n0.624502 0.899583 0.079614 Ag\n0.628760 0.428581 0.421224 Ag\n0.124502 0.600417 0.420386 Ag\n0.875498 0.399583 0.579614 Ag\n0.628760 0.071419 0.421224 Ag\n0.375498 0.100417 0.920386 Ag\n0.371240 0.928581 0.578776 Ag\n0.565030 0.750000 0.573418 Ag\n0.508976 0.641518 0.392062 Ag\n0.707265 0.353675 0.203309 Ag\n0.065030 0.750000 0.926582 Ag\n0.292735 0.853675 0.796691 Ag\n0.434970 0.250000 0.426582 Ag\n0.934970 0.250000 0.073418 Ag\n0.142638 0.250000 0.619503 Ag\n0.871240 0.571419 0.921224 Ag\n0.642638 0.250000 0.880497 Ag\n0.792735 0.853675 0.703309 Ag\n0.624502 0.600417 0.079614 Ag\n0.008976 0.858482 0.107938 Ag\n0.128760 0.428581 0.078776 Ag\n0.357362 0.750000 0.119503 Ag\n0.292735 0.646325 0.796691 Ag\n0.375498 0.399583 0.920386 Ag\n0.207265 0.146325 0.296691 Ag\n0.857362 0.750000 0.380497 Ag\n0.991024 0.358482 0.892062 Ag\n0.707265 0.146325 0.203309 Ag\n0.491024 0.141518 0.607938 Ag\n0.371240 0.571419 0.578776 Ag\n0.508976 0.858482 0.392062 Ag\n0.124502 0.899583 0.420386 Ag\n0.792735 0.646325 0.703309 Ag\n0.875498 0.100417 0.579614 Ag\n0.991024 0.141518 0.892062 Ag\n0.207265 0.353675 0.296691 Ag\n0.754545 0.250000 0.689787 Te\n0.211503 0.410577 0.490651 Te\n0.285370 0.250000 0.132420 Te\n0.788497 0.910577 0.509349 Te\n0.785370 0.250000 0.367580 Te\n0.254545 0.250000 0.810213 Te\n0.711503 0.089423 0.009349 Te\n0.214630 0.750000 0.632420 Te\n0.288497 0.589423 0.990651 Te\n0.288497 0.910577 0.990651 Te\n0.711503 0.410577 0.009349 Te\n0.714630 0.750000 0.867580 Te\n0.211503 0.089423 0.490651 Te\n0.745455 0.750000 0.189787 Te\n0.245455 0.750000 0.310213 Te\n0.788497 0.589423 0.509349 Te\n0.511224 0.503239 0.745310 Cl\n0.988776 0.496761 0.245310 Cl\n0.988776 0.003239 0.245310 Cl\n0.011224 0.996761 0.754690 Cl\n0.011224 0.503239 0.754690 Cl\n0.488776 0.496761 0.254690 Cl\n0.488776 0.003239 0.254690 Cl\n0.511224 0.996761 0.745310 Cl\n",
"nsites": 64,
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"elements": [
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"Cl"
],
"chemical_system": "Ag-Cl-Te",
"density": 7.154130051143713,
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"formula_full": "Ag40 Te16 Cl8",
"formula_reduced": "Ag5Te2Cl",
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"energy": -201.39025586,
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"updated_at": "2021-11-28T01:36:57.893000Z",
"spacegroup": 62
},
{
"id": "mp-733610",
"created_at": "2022-09-04T14:44:55.725695Z",
"structure_string": "H14 C6 N6 O10\n1.0\n3.395335 6.325480 0.000000\n-3.395335 6.325480 0.000000\n0.000000 3.872471 8.024417\nH C N O\n14 6 6 10\ndirect\n0.942632 0.057368 0.750000 H\n0.057368 0.942632 0.250000 H\n0.598134 0.651935 0.508437 H\n0.348065 0.401866 0.991563 H\n0.401866 0.348065 0.491563 H\n0.651935 0.598134 0.008437 H\n0.615329 0.014303 0.089885 H\n0.985697 0.384671 0.410115 H\n0.384671 0.985697 0.910115 H\n0.014303 0.615329 0.589885 H\n0.407176 0.069985 0.246981 H\n0.930015 0.592824 0.253019 H\n0.592824 0.930015 0.753019 H\n0.069985 0.407176 0.746981 H\n0.261638 0.884763 0.604499 C\n0.115237 0.738362 0.895501 C\n0.738362 0.115237 0.395501 C\n0.884763 0.261638 0.104499 C\n0.497012 0.502988 0.750000 C\n0.502988 0.497012 0.250000 C\n0.094319 0.905681 0.750000 N\n0.905681 0.094319 0.250000 N\n0.460373 0.680251 0.611364 N\n0.319749 0.539627 0.888636 N\n0.539627 0.319749 0.388636 N\n0.680251 0.460373 0.111364 N\n0.233525 0.041083 0.476889 O\n0.958917 0.766475 0.023111 O\n0.766475 0.958917 0.523111 O\n0.041083 0.233525 0.976889 O\n0.678871 0.321129 0.750000 O\n0.321129 0.678871 0.250000 O\n0.471100 0.137853 0.135176 O\n0.862147 0.528900 0.364824 O\n0.528900 0.862147 0.864824 O\n0.137853 0.471100 0.635176 O\n",
"nsites": 36,
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"elements": [
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"density": 1.5908130235279305,
"density_atomic": 0.10444385630086978,
"volume": 344.6827920284307,
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"formula_full": "H14 C6 N6 O10",
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"formula_anonymous": "A3B3C5D7",
"energy": -239.34863908,
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"updated_at": "2021-11-28T01:36:43.894000Z",
"spacegroup": 15
},
{
"id": "mp-1103189",
"created_at": "2022-09-04T14:44:53.636780Z",
"structure_string": "La4 Te4 Cl4\n1.0\n4.533337 0.000000 0.000000\n0.000000 8.005744 0.000000\n0.000000 0.000000 9.454725\nLa Te Cl\n4 4 4\ndirect\n0.250000 0.238395 0.631576 La\n0.250000 0.738395 0.868424 La\n0.750000 0.761605 0.368424 La\n0.750000 0.261605 0.131576 La\n0.250000 0.461705 0.331819 Te\n0.250000 0.961705 0.168181 Te\n0.750000 0.538295 0.668181 Te\n0.750000 0.038295 0.831819 Te\n0.250000 0.865017 0.560362 Cl\n0.250000 0.365017 0.939638 Cl\n0.750000 0.134983 0.439638 Cl\n0.750000 0.634983 0.060362 Cl\n",
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"elements": [
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],
"chemical_system": "Cl-La-Te",
"density": 5.845042859440629,
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"volume": 343.1378335342091,
"volume_molar": 17.2202027802038,
"formula_full": "La4 Te4 Cl4",
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"energy": -67.47497017,
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{
"id": "mp-558834",
"created_at": "2022-09-04T14:44:54.954741Z",
"structure_string": "Eu8 B20 Br4 O36\n1.0\n6.545083 0.000000 0.000000\n0.000000 11.496952 0.000000\n0.000000 0.000000 11.625361\nEu B Br O\n8 20 4 36\ndirect\n0.846444 0.262103 0.533116 Eu\n0.346444 0.762103 0.966884 Eu\n0.002880 0.049275 0.254962 Eu\n0.346444 0.237897 0.033116 Eu\n0.002880 0.950725 0.745038 Eu\n0.846444 0.737897 0.466884 Eu\n0.502880 0.549275 0.245038 Eu\n0.502880 0.450725 0.754962 Eu\n0.810088 0.736433 0.036013 B\n0.973495 0.503049 0.750680 B\n0.848021 0.298359 0.186759 B\n0.973495 0.496951 0.249320 B\n0.473495 0.003049 0.749320 B\n0.473495 0.996951 0.250680 B\n0.699406 0.824899 0.224760 B\n0.848021 0.701641 0.813241 B\n0.031580 0.719681 0.205450 B\n0.310088 0.763567 0.536013 B\n0.031580 0.280319 0.794550 B\n0.531580 0.780319 0.705450 B\n0.810088 0.263567 0.963987 B\n0.348021 0.201641 0.686759 B\n0.199406 0.675101 0.724760 B\n0.348021 0.798359 0.313241 B\n0.199406 0.324899 0.275240 B\n0.699406 0.175101 0.775240 B\n0.310088 0.236433 0.463987 B\n0.531580 0.219681 0.294550 B\n0.131558 0.000000 0.000000 Br\n0.869476 0.000000 0.500000 Br\n0.631558 0.500000 0.500000 Br\n0.369476 0.500000 0.000000 Br\n0.749155 0.268730 0.076288 O\n0.657934 0.047562 0.783752 O\n0.569111 0.230045 0.685954 O\n0.154189 0.731561 0.611603 O\n0.001937 0.287181 0.923100 O\n0.249155 0.768730 0.423712 O\n0.750523 0.772977 0.722778 O\n0.749155 0.731270 0.923712 O\n0.569111 0.769955 0.314046 O\n0.930079 0.613877 0.261180 O\n0.750523 0.227023 0.277222 O\n0.069111 0.269955 0.185954 O\n0.657934 0.952438 0.216248 O\n0.820067 0.573772 0.791789 O\n0.157934 0.547562 0.716248 O\n0.930079 0.386123 0.738820 O\n0.320067 0.073772 0.708211 O\n0.416424 0.682271 0.754610 O\n0.154189 0.268439 0.388397 O\n0.069111 0.730045 0.814046 O\n0.654189 0.231561 0.888397 O\n0.501937 0.787181 0.576900 O\n0.430079 0.113877 0.238820 O\n0.654189 0.768439 0.111603 O\n0.916424 0.817729 0.254610 O\n0.501937 0.212819 0.423100 O\n0.320067 0.926228 0.291789 O\n0.820067 0.426228 0.208211 O\n0.430079 0.886123 0.761180 O\n0.157934 0.452438 0.283752 O\n0.250523 0.727023 0.222778 O\n0.001937 0.712819 0.076900 O\n0.916424 0.182271 0.745390 O\n0.250523 0.272977 0.777222 O\n0.249155 0.231270 0.576288 O\n0.416424 0.317729 0.245390 O\n",
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{
"id": "mp-1016092",
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"structure_string": "Re16 O56\n1.0\n5.558364 0.000000 0.000000\n0.000000 12.740658 0.000000\n0.000000 0.000000 15.566044\nRe O\n16 56\ndirect\n0.066698 0.023821 0.630364 Re\n0.672424 0.025549 0.356464 Re\n0.814080 0.219990 0.136658 Re\n0.562519 0.232087 0.636465 Re\n0.062519 0.267913 0.363535 Re\n0.314080 0.280010 0.863342 Re\n0.172424 0.474451 0.643536 Re\n0.566698 0.476179 0.369636 Re\n0.933302 0.523821 0.869636 Re\n0.327576 0.525549 0.143536 Re\n0.185920 0.719990 0.363342 Re\n0.437481 0.732087 0.863535 Re\n0.937481 0.767913 0.136465 Re\n0.685920 0.780010 0.636658 Re\n0.827576 0.974451 0.856464 Re\n0.433302 0.976179 0.130364 Re\n0.483414 0.003184 0.264531 O\n0.965938 0.013300 0.950429 O\n0.012364 0.053960 0.524232 O\n0.572968 0.048880 0.843553 O\n0.235887 0.079975 0.121827 O\n0.722954 0.084165 0.130267 O\n0.761851 0.126383 0.660856 O\n0.263796 0.128365 0.660899 O\n0.255339 0.161894 0.362598 O\n0.767524 0.160355 0.360856 O\n0.054173 0.208739 0.850647 O\n0.515505 0.213488 0.528225 O\n0.454161 0.237974 0.955862 O\n0.002166 0.244366 0.227930 O\n0.502166 0.255634 0.772070 O\n0.954161 0.262026 0.044138 O\n0.015505 0.286512 0.471775 O\n0.554173 0.291261 0.149353 O\n0.267524 0.339645 0.639144 O\n0.755339 0.338106 0.637402 O\n0.763796 0.371635 0.339101 O\n0.261851 0.373617 0.339144 O\n0.222954 0.415835 0.869733 O\n0.735887 0.420025 0.878173 O\n0.072968 0.451120 0.156447 O\n0.512364 0.446040 0.475768 O\n0.465938 0.486700 0.049571 O\n0.983414 0.496816 0.735469 O\n0.516586 0.503184 0.235469 O\n0.034062 0.513300 0.549571 O\n0.987636 0.553960 0.975768 O\n0.427032 0.548880 0.656447 O\n0.764113 0.579975 0.378173 O\n0.277046 0.584165 0.369733 O\n0.238149 0.626383 0.839144 O\n0.736204 0.628365 0.839101 O\n0.744661 0.661894 0.137402 O\n0.232476 0.660355 0.139144 O\n0.945827 0.708739 0.649353 O\n0.484495 0.713488 0.971775 O\n0.545839 0.737974 0.544138 O\n0.997834 0.744366 0.272070 O\n0.497834 0.755634 0.727930 O\n0.045839 0.762026 0.455862 O\n0.984495 0.786512 0.028225 O\n0.445827 0.791261 0.350647 O\n0.732476 0.839645 0.860856 O\n0.244661 0.838106 0.862598 O\n0.236204 0.871635 0.160899 O\n0.738149 0.873617 0.160856 O\n0.777046 0.915835 0.630267 O\n0.264113 0.920025 0.621827 O\n0.927032 0.951120 0.343553 O\n0.487636 0.946040 0.024232 O\n0.534062 0.986700 0.450429 O\n0.016586 0.996816 0.764531 O\n",
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{
"id": "mp-28558",
"created_at": "2022-09-04T14:44:55.735727Z",
"structure_string": "Rb4 Ge4 Br12\n1.0\n7.782599 0.000000 0.000000\n0.000000 8.368039 0.000000\n0.000000 0.000000 11.405517\nRb Ge Br\n4 4 12\ndirect\n0.974931 0.422475 0.749414 Rb\n0.474931 0.077525 0.249414 Rb\n0.525069 0.922475 0.749414 Rb\n0.025069 0.577525 0.249414 Rb\n0.483716 0.469220 0.519058 Ge\n0.516284 0.530780 0.019058 Ge\n0.016284 0.969220 0.519058 Ge\n0.983716 0.030780 0.019058 Ge\n0.323681 0.781282 0.037429 Br\n0.176319 0.281282 0.037429 Br\n0.823681 0.718718 0.537429 Br\n0.292751 0.816267 0.468861 Br\n0.207249 0.316267 0.468861 Br\n0.792752 0.683733 0.968861 Br\n0.428152 0.498881 0.740437 Br\n0.707248 0.183733 0.968861 Br\n0.928152 0.001119 0.240437 Br\n0.571848 0.501119 0.240437 Br\n0.071848 0.998881 0.740437 Br\n0.676319 0.218718 0.537429 Br\n",
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