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{
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"structure_string": "Ag24 Sn14 H32 Se44 N8\n1.0\n3.451628 27.833389 0.000000\n-3.451628 27.833389 0.000000\n0.000000 2.574881 13.918456\nAg Sn H Se N\n24 14 32 44 8\ndirect\n0.479058 0.436002 0.010051 Ag\n0.563998 0.520942 0.489949 Ag\n0.520942 0.563998 0.989949 Ag\n0.436002 0.479058 0.510051 Ag\n0.056424 0.912526 0.918531 Ag\n0.087474 0.943576 0.581469 Ag\n0.943576 0.087474 0.081469 Ag\n0.912526 0.056424 0.418531 Ag\n0.992538 0.907563 0.754050 Ag\n0.092437 0.007462 0.745950 Ag\n0.007462 0.092437 0.245950 Ag\n0.907563 0.992538 0.254050 Ag\n0.349301 0.254807 0.955888 Ag\n0.745193 0.650699 0.544112 Ag\n0.650699 0.745193 0.044112 Ag\n0.254807 0.349301 0.455888 Ag\n0.920446 0.615400 0.126319 Ag\n0.384600 0.079554 0.373681 Ag\n0.079554 0.384600 0.873681 Ag\n0.615400 0.920446 0.626319 Ag\n0.906518 0.635133 0.350447 Ag\n0.364867 0.093482 0.149553 Ag\n0.093482 0.364867 0.649553 Ag\n0.635133 0.906518 0.850447 Ag\n0.525743 0.474257 0.750000 Sn\n0.474257 0.525743 0.250000 Sn\n0.985700 0.832953 0.012945 Sn\n0.167047 0.014300 0.487055 Sn\n0.014300 0.167047 0.987055 Sn\n0.832953 0.985700 0.512945 Sn\n0.429929 0.300738 0.066538 Sn\n0.699262 0.570071 0.433462 Sn\n0.570071 0.699262 0.933462 Sn\n0.300738 0.429929 0.566538 Sn\n0.433633 0.158215 0.215103 Sn\n0.841785 0.566367 0.284897 Sn\n0.566367 0.841785 0.784897 Sn\n0.158215 0.433633 0.715103 Sn\n0.496343 0.295001 0.805199 H\n0.704999 0.503657 0.694801 H\n0.503657 0.704999 0.194801 H\n0.295001 0.496343 0.305199 H\n0.358197 0.477877 0.767558 H\n0.522123 0.641803 0.732442 H\n0.641803 0.522123 0.232442 H\n0.477877 0.358197 0.267558 H\n0.538841 0.306310 0.844525 H\n0.693690 0.461159 0.655475 H\n0.461159 0.693690 0.155475 H\n0.306310 0.538841 0.344525 H\n0.598251 0.244489 0.730804 H\n0.755511 0.401749 0.769196 H\n0.401749 0.755511 0.269196 H\n0.244489 0.598251 0.230804 H\n0.749896 0.933590 0.926079 H\n0.066410 0.250104 0.573921 H\n0.250104 0.066410 0.073921 H\n0.933590 0.749896 0.426079 H\n0.996496 0.705333 0.911034 H\n0.294667 0.003504 0.588966 H\n0.003504 0.294667 0.088966 H\n0.705333 0.996496 0.411034 H\n0.912530 0.729591 0.925510 H\n0.270409 0.087470 0.574490 H\n0.087470 0.270409 0.074490 H\n0.729591 0.912530 0.425510 H\n0.903736 0.768278 0.018496 H\n0.231722 0.096264 0.481504 H\n0.096264 0.231722 0.981504 H\n0.768278 0.903736 0.518496 H\n0.711748 0.225020 0.857161 Se\n0.774980 0.288252 0.642839 Se\n0.288252 0.774980 0.142839 Se\n0.225020 0.711748 0.357161 Se\n0.273348 0.683798 0.646436 Se\n0.316202 0.726652 0.853564 Se\n0.726652 0.316202 0.353564 Se\n0.683798 0.273348 0.146436 Se\n0.117263 0.780729 0.070113 Se\n0.219271 0.882737 0.429887 Se\n0.882737 0.219271 0.929887 Se\n0.780729 0.117263 0.570113 Se\n0.008369 0.800885 0.840628 Se\n0.199115 0.991631 0.659372 Se\n0.991631 0.199115 0.159372 Se\n0.800885 0.008369 0.340628 Se\n0.097360 0.647557 0.134556 Se\n0.352443 0.902640 0.365444 Se\n0.902640 0.352443 0.865444 Se\n0.647557 0.097360 0.634556 Se\n0.618258 0.198489 0.064447 Se\n0.801511 0.381742 0.435553 Se\n0.381742 0.801511 0.935553 Se\n0.198489 0.618258 0.564447 Se\n0.409897 0.289715 0.909150 Se\n0.710285 0.590103 0.590850 Se\n0.590103 0.710285 0.090850 Se\n0.289715 0.409897 0.409150 Se\n0.630215 0.047745 0.190181 Se\n0.952255 0.369785 0.309819 Se\n0.369785 0.952255 0.809819 Se\n0.047745 0.630215 0.690181 Se\n0.073823 0.532196 0.208834 Se\n0.467804 0.926177 0.291166 Se\n0.926177 0.467804 0.791166 Se\n0.532196 0.073823 0.708834 Se\n0.539444 0.007229 0.082390 Se\n0.992771 0.460556 0.417610 Se\n0.460556 0.992770 0.917610 Se\n0.007229 0.539444 0.582390 Se\n0.528898 0.024935 0.387621 Se\n0.975065 0.471102 0.112379 Se\n0.471102 0.975065 0.612379 Se\n0.024935 0.528898 0.887621 Se\n0.498243 0.330575 0.786548 N\n0.669425 0.501757 0.713452 N\n0.501757 0.669425 0.213452 N\n0.330575 0.498243 0.286548 N\n0.890438 0.784349 0.944811 N\n0.215651 0.109562 0.555189 N\n0.109562 0.215651 0.055189 N\n0.784349 0.890438 0.444811 N\n",
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"formula_full": "Ag24 Sn14 H32 Se44 N8",
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"updated_at": "2021-11-28T01:38:02.435000Z",
"spacegroup": 15
},
{
"id": "mp-729904",
"created_at": "2022-09-04T14:39:46.583112Z",
"structure_string": "V16 Se16 O104\n1.0\n7.001971 10.253975 0.000000\n-7.001971 10.253975 0.000000\n0.000000 1.036224 18.622413\nV Se O\n16 16 104\ndirect\n0.664238 0.645868 0.594159 V\n0.354132 0.335762 0.905841 V\n0.335762 0.354132 0.405841 V\n0.645868 0.664238 0.094159 V\n0.365184 0.832197 0.404603 V\n0.167803 0.634816 0.095397 V\n0.634816 0.167803 0.595397 V\n0.832197 0.365184 0.904603 V\n0.164650 0.141731 0.593517 V\n0.858269 0.835350 0.906483 V\n0.835350 0.858269 0.406483 V\n0.141731 0.164650 0.093517 V\n0.862067 0.338965 0.404595 V\n0.661035 0.137933 0.095405 V\n0.137933 0.661035 0.595405 V\n0.338965 0.862067 0.904595 V\n0.423161 0.923464 0.558615 Se\n0.076536 0.576839 0.941385 Se\n0.576839 0.076536 0.441385 Se\n0.923464 0.423161 0.058615 Se\n0.586587 0.574057 0.443148 Se\n0.425943 0.413413 0.056852 Se\n0.413413 0.425943 0.556852 Se\n0.574057 0.586587 0.943148 Se\n0.081733 0.076615 0.438532 Se\n0.923385 0.918267 0.061468 Se\n0.918267 0.923385 0.561468 Se\n0.076615 0.081733 0.938532 Se\n0.921507 0.423686 0.563935 Se\n0.576314 0.078493 0.936065 Se\n0.078493 0.576314 0.436065 Se\n0.423686 0.921507 0.063935 Se\n0.428545 0.830801 0.628070 O\n0.169199 0.571455 0.871930 O\n0.571455 0.169199 0.371930 O\n0.830801 0.428545 0.128070 O\n0.617712 0.670462 0.500506 O\n0.329538 0.382288 0.999494 O\n0.382288 0.329538 0.499494 O\n0.670462 0.617712 0.000506 O\n0.821452 0.563657 0.586243 O\n0.436343 0.178548 0.913757 O\n0.178548 0.436343 0.413757 O\n0.563657 0.821452 0.086243 O\n0.706721 0.675606 0.744278 O\n0.324394 0.293279 0.755722 O\n0.293279 0.324394 0.255722 O\n0.675606 0.706721 0.244278 O\n0.624028 0.787691 0.621667 O\n0.212309 0.375972 0.878333 O\n0.375972 0.212309 0.378333 O\n0.787691 0.624028 0.121667 O\n0.592830 0.574398 0.636855 O\n0.425602 0.407170 0.863145 O\n0.407170 0.425602 0.363145 O\n0.574398 0.592830 0.136855 O\n0.331401 0.885878 0.496918 O\n0.114122 0.668599 0.003082 O\n0.668599 0.114122 0.503082 O\n0.885878 0.331401 0.996918 O\n0.450870 0.679443 0.414581 O\n0.320557 0.549130 0.085419 O\n0.549130 0.320557 0.585419 O\n0.679443 0.450870 0.914581 O\n0.180762 0.067704 0.375749 O\n0.932296 0.819238 0.124251 O\n0.819238 0.932296 0.624251 O\n0.067704 0.180762 0.875749 O\n0.275994 0.826261 0.274435 O\n0.173739 0.724006 0.225565 O\n0.724006 0.173739 0.725565 O\n0.826261 0.275994 0.774435 O\n0.246932 0.827555 0.350260 O\n0.172445 0.753068 0.149740 O\n0.753068 0.172445 0.649740 O\n0.827555 0.246932 0.850260 O\n0.442839 0.894642 0.361337 O\n0.105358 0.557161 0.138663 O\n0.557161 0.105358 0.638663 O\n0.894642 0.442839 0.861337 O\n0.325030 0.055555 0.586533 O\n0.944445 0.674970 0.913467 O\n0.674970 0.944445 0.413467 O\n0.055555 0.325030 0.086533 O\n0.112216 0.166396 0.501292 O\n0.833604 0.887784 0.998708 O\n0.887784 0.833604 0.498708 O\n0.166396 0.112216 0.001292 O\n0.199170 0.204777 0.750415 O\n0.795223 0.800830 0.749585 O\n0.800830 0.795223 0.249585 O\n0.204777 0.199170 0.250415 O\n0.142637 0.274473 0.622196 O\n0.725527 0.857363 0.877804 O\n0.857363 0.725527 0.377804 O\n0.274473 0.142637 0.122196 O\n0.094131 0.075592 0.643620 O\n0.924408 0.905869 0.856380 O\n0.905869 0.924408 0.356380 O\n0.075592 0.094131 0.143620 O\n0.684894 0.558386 0.378648 O\n0.441614 0.315106 0.121352 O\n0.315106 0.441614 0.621352 O\n0.558386 0.684894 0.878648 O\n0.831856 0.387710 0.496335 O\n0.612290 0.168144 0.003665 O\n0.168144 0.612290 0.503665 O\n0.387710 0.831856 0.996335 O\n0.781030 0.322341 0.274865 O\n0.677659 0.218970 0.225135 O\n0.218970 0.677659 0.725135 O\n0.322341 0.781030 0.774865 O\n0.941781 0.399712 0.361567 O\n0.600288 0.058219 0.138433 O\n0.058219 0.600288 0.638433 O\n0.399712 0.941781 0.861567 O\n0.744907 0.328289 0.348580 O\n0.671711 0.255093 0.151420 O\n0.255093 0.671711 0.651420 O\n0.328289 0.744907 0.848580 O\n0.945981 0.185223 0.412727 O\n0.814777 0.054019 0.087273 O\n0.054019 0.814777 0.587273 O\n0.185223 0.945981 0.912727 O\n0.915639 0.337928 0.631648 O\n0.662072 0.084361 0.868352 O\n0.084361 0.662072 0.368352 O\n0.337928 0.915639 0.131648 O\n0.304308 0.198202 0.754943 O\n0.801798 0.695692 0.745057 O\n0.695692 0.801798 0.245057 O\n0.198202 0.304308 0.254943 O\n0.788207 0.211793 0.250000 O\n0.211793 0.788207 0.750000 O\n0.284131 0.715869 0.250000 O\n0.715869 0.284131 0.750000 O\n",
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{
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{
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{
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{
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{
"id": "mp-1202457",
"created_at": "2022-09-04T14:39:20.047724Z",
"structure_string": "Zn4 Si16 H144 C48 N8\n1.0\n12.753818 0.000000 0.000000\n0.000000 18.384953 0.000000\n-5.737745 0.000000 11.371123\nZn Si H C N\n4 16 144 48 8\ndirect\n0.516326 0.865859 0.243672 Zn\n0.483674 0.365859 0.256328 Zn\n0.483674 0.134141 0.756328 Zn\n0.516326 0.634141 0.743672 Zn\n0.268703 0.930829 0.087510 Si\n0.731297 0.430829 0.412490 Si\n0.731297 0.069171 0.912490 Si\n0.268703 0.569171 0.587510 Si\n0.302590 0.788183 0.233768 Si\n0.697410 0.288183 0.266232 Si\n0.697410 0.211817 0.766232 Si\n0.302590 0.711817 0.733768 Si\n0.749769 0.805510 0.262065 Si\n0.250231 0.305510 0.237935 Si\n0.250231 0.194490 0.737935 Si\n0.749769 0.694490 0.762065 Si\n0.744148 0.933028 0.425130 Si\n0.255852 0.433028 0.074870 Si\n0.255852 0.066972 0.574870 Si\n0.744148 0.566972 0.925130 Si\n0.423728 0.977989 0.036481 H\n0.576272 0.477989 0.463519 H\n0.576272 0.022011 0.963519 H\n0.423728 0.522011 0.536481 H\n0.317453 0.045713 0.015951 H\n0.682547 0.545713 0.484049 H\n0.682547 0.954287 0.984049 H\n0.317453 0.454287 0.515951 H\n0.427197 0.026008 0.160310 H\n0.572803 0.526008 0.339690 H\n0.572803 0.973992 0.839690 H\n0.427197 0.473992 0.660310 H\n0.103099 0.861327 0.929489 H\n0.896901 0.361327 0.570511 H\n0.896901 0.138673 0.070511 H\n0.103099 0.638673 0.429489 H\n0.121305 0.948226 0.879686 H\n0.878695 0.448226 0.620314 H\n0.878695 0.051774 0.120314 H\n0.121305 0.551774 0.379686 H\n0.218303 0.876588 0.889226 H\n0.781697 0.376588 0.610774 H\n0.781697 0.123412 0.110774 H\n0.218303 0.623412 0.389226 H\n0.108308 0.935297 0.149120 H\n0.891692 0.435297 0.350880 H\n0.891692 0.064703 0.850880 H\n0.108308 0.564703 0.649120 H\n0.221985 0.997662 0.233506 H\n0.778015 0.497662 0.266494 H\n0.778015 0.002338 0.766494 H\n0.221985 0.502338 0.733506 H\n0.119555 0.019086 0.086426 H\n0.880445 0.519086 0.413574 H\n0.880445 0.980914 0.913574 H\n0.119555 0.480914 0.586426 H\n0.386478 0.826305 0.444171 H\n0.613522 0.326305 0.055829 H\n0.613522 0.173695 0.555829 H\n0.386478 0.673695 0.944171 H\n0.235943 0.852458 0.366460 H\n0.764057 0.352458 0.133540 H\n0.764057 0.147542 0.633540 H\n0.235943 0.647542 0.866460 H\n0.273699 0.760513 0.410306 H\n0.726301 0.260513 0.089694 H\n0.726301 0.239487 0.589694 H\n0.273699 0.739487 0.910306 H\n0.405513 0.689983 0.180835 H\n0.594487 0.189983 0.319165 H\n0.594487 0.310017 0.819165 H\n0.405513 0.810017 0.680835 H\n0.492649 0.720310 0.329088 H\n0.507351 0.220310 0.170912 H\n0.507351 0.279690 0.670912 H\n0.492649 0.779690 0.829088 H\n0.370394 0.662477 0.295284 H\n0.629606 0.162477 0.204716 H\n0.629606 0.337523 0.704716 H\n0.370394 0.837523 0.795284 H\n0.146519 0.739847 0.044086 H\n0.853481 0.239847 0.455914 H\n0.853481 0.260153 0.955914 H\n0.146519 0.760153 0.544086 H\n0.128198 0.710076 0.167725 H\n0.871802 0.210076 0.332275 H\n0.871802 0.289924 0.832275 H\n0.128198 0.789924 0.667725 H\n0.084813 0.799440 0.112697 H\n0.915187 0.299440 0.387303 H\n0.915187 0.200560 0.887303 H\n0.084813 0.700560 0.612697 H\n0.951308 0.859759 0.344055 H\n0.048692 0.359759 0.155945 H\n0.048692 0.140241 0.655945 H\n0.951308 0.640241 0.844055 H\n0.922102 0.803282 0.221009 H\n0.077898 0.303282 0.278991 H\n0.077898 0.196718 0.778991 H\n0.922102 0.696718 0.721009 H\n0.861763 0.892444 0.198718 H\n0.138237 0.392444 0.301282 H\n0.138237 0.107556 0.801282 H\n0.861763 0.607556 0.698718 H\n0.725661 0.694053 0.362973 H\n0.274339 0.194053 0.137027 H\n0.274339 0.305947 0.637027 H\n0.725661 0.805947 0.862973 H\n0.839402 0.681994 0.320202 H\n0.160598 0.181994 0.179798 H\n0.160598 0.318006 0.679798 H\n0.839402 0.818006 0.820202 H\n0.865580 0.734581 0.446436 H\n0.134420 0.234581 0.053564 H\n0.134420 0.265419 0.553564 H\n0.865580 0.765419 0.946436 H\n0.564093 0.753162 0.103665 H\n0.435907 0.253162 0.396335 H\n0.435907 0.246838 0.896335 H\n0.564093 0.746838 0.603665 H\n0.622163 0.822511 0.046525 H\n0.377837 0.322511 0.453475 H\n0.377837 0.177489 0.953475 H\n0.622163 0.677489 0.546525 H\n0.686277 0.734621 0.076580 H\n0.313723 0.234621 0.423420 H\n0.313723 0.265379 0.923420 H\n0.686277 0.765379 0.576580 H\n0.589466 0.923066 0.495288 H\n0.410534 0.423066 0.004712 H\n0.410534 0.076934 0.504712 H\n0.589466 0.576934 0.995288 H\n0.665908 0.007143 0.537275 H\n0.334092 0.507143 0.962725 H\n0.334092 0.992857 0.462725 H\n0.665908 0.492857 0.037275 H\n0.557492 0.994937 0.390538 H\n0.442508 0.494937 0.109462 H\n0.442508 0.005063 0.609462 H\n0.557492 0.505063 0.890538 H\n0.941778 0.877102 0.545539 H\n0.058222 0.377102 0.954461 H\n0.058222 0.122898 0.454461 H\n0.941778 0.622898 0.045539 H\n0.902950 0.938597 0.629357 H\n0.097050 0.438597 0.870643 H\n0.097050 0.061403 0.370643 H\n0.902950 0.561403 0.129357 H\n0.840610 0.850117 0.599448 H\n0.159390 0.350117 0.900552 H\n0.159390 0.149883 0.400552 H\n0.840610 0.649883 0.099448 H\n0.876198 0.003228 0.362336 H\n0.123802 0.503228 0.137664 H\n0.123802 0.996772 0.637664 H\n0.876198 0.496772 0.862336 H\n0.733465 0.042658 0.304596 H\n0.266535 0.542658 0.195404 H\n0.266535 0.957342 0.695404 H\n0.733465 0.457342 0.804596 H\n0.834397 0.055529 0.454540 H\n0.165603 0.555529 0.045460 H\n0.165603 0.944471 0.545460 H\n0.834397 0.444471 0.954540 H\n0.369294 0.001501 0.074902 C\n0.630706 0.501501 0.425098 C\n0.630706 0.998499 0.925098 C\n0.369294 0.498499 0.574902 C\n0.169114 0.900708 0.932584 C\n0.830886 0.400708 0.567416 C\n0.830886 0.099292 0.067416 C\n0.169114 0.599292 0.432584 C\n0.171090 0.974749 0.144937 C\n0.828910 0.474749 0.355063 C\n0.828910 0.025251 0.855063 C\n0.171090 0.525251 0.644937 C\n0.299347 0.809196 0.376971 C\n0.700653 0.309196 0.123029 C\n0.700653 0.190804 0.623029 C\n0.299347 0.690804 0.876971 C\n0.402985 0.708065 0.261895 C\n0.597015 0.208065 0.238105 C\n0.597015 0.291935 0.738105 C\n0.402985 0.791935 0.761895 C\n0.151082 0.757198 0.128604 C\n0.848918 0.257198 0.371396 C\n0.848918 0.242802 0.871396 C\n0.151082 0.742802 0.628604 C\n0.883521 0.844609 0.256259 C\n0.116479 0.344609 0.243741 C\n0.116479 0.155391 0.743741 C\n0.883521 0.655391 0.756259 C\n0.799133 0.721471 0.357040 C\n0.200867 0.221471 0.142960 C\n0.200867 0.278529 0.642960 C\n0.799133 0.778529 0.857040 C\n0.645535 0.776511 0.108217 C\n0.354465 0.276511 0.391783 C\n0.354465 0.223489 0.891783 C\n0.645535 0.723489 0.608217 C\n0.628102 0.967118 0.465549 C\n0.371898 0.467118 0.034451 C\n0.371898 0.032882 0.534451 C\n0.628102 0.532882 0.965549 C\n0.868593 0.895533 0.561862 C\n0.131407 0.395533 0.938138 C\n0.131407 0.104467 0.438138 C\n0.868593 0.604467 0.061862 C\n0.802437 0.015854 0.381617 C\n0.197563 0.515854 0.118383 C\n0.197563 0.984146 0.618383 C\n0.802437 0.484146 0.881617 C\n0.354158 0.860961 0.180566 N\n0.645842 0.360961 0.319434 N\n0.645842 0.139039 0.819434 N\n0.354158 0.639039 0.680566 N\n0.679027 0.868620 0.312075 N\n0.320973 0.368620 0.187925 N\n0.320973 0.131380 0.687925 N\n0.679027 0.631380 0.812075 N\n",
"nsites": 220,
"nelements": 5,
"elements": [
"Zn",
"Si",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Si-Zn",
"density": 0.9620358165880409,
"density_atomic": 0.08251189936634667,
"volume": 2666.2820961521734,
"volume_molar": 7.298511858589201,
"formula_full": "Zn4 Si16 H144 C48 N8",
"formula_reduced": "ZnSi4H36(C6N)2",
"formula_anonymous": "AB2C4D12E36",
"energy": -1145.96336519,
"energy_per_atom": -5.208924387227273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1143.07536519,
"band_gap": 3.7359,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2362432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.312000Z",
"spacegroup": 14
}
]
}