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{
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{
"id": "mp-1228912",
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"structure_string": "Al1 Cu1 Pd2\n1.0\n3.107711 0.000000 0.000000\n0.000000 3.107711 0.000000\n0.000000 0.000000 5.785956\nAl Cu Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.245002 Pd\n0.500000 0.500000 0.754998 Pd\n",
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{
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"structure_string": "Li8 Mn16 O4 F32\n1.0\n5.463000 0.000000 0.000000\n0.000000 9.456439 0.000000\n0.000000 0.000000 14.594568\nLi Mn O F\n8 16 4 32\ndirect\n0.752467 0.004137 0.898022 Li\n0.752467 0.995863 0.101978 Li\n0.247533 0.495863 0.398022 Li\n0.247533 0.504137 0.601978 Li\n0.266841 0.524186 0.097494 Li\n0.266841 0.475814 0.902506 Li\n0.733159 0.024186 0.402506 Li\n0.733159 0.975814 0.597494 Li\n0.771155 0.330584 0.058834 Mn\n0.771155 0.669416 0.941166 Mn\n0.769212 0.666143 0.238208 Mn\n0.769212 0.333857 0.761792 Mn\n0.230788 0.166143 0.261792 Mn\n0.230788 0.833857 0.738208 Mn\n0.228845 0.830584 0.441166 Mn\n0.228845 0.169416 0.558834 Mn\n0.238082 0.839890 0.936985 Mn\n0.238082 0.160110 0.063015 Mn\n0.234546 0.174042 0.759166 Mn\n0.234546 0.825958 0.240834 Mn\n0.765454 0.674042 0.740834 Mn\n0.765454 0.325958 0.259166 Mn\n0.761918 0.660110 0.436985 Mn\n0.761918 0.339890 0.563015 Mn\n0.952877 0.194156 0.159107 O\n0.952877 0.805844 0.840893 O\n0.047123 0.305844 0.659107 O\n0.047123 0.694156 0.340893 O\n0.880875 0.149081 0.496742 F\n0.880875 0.850919 0.503258 F\n0.907972 0.838855 0.164579 F\n0.907972 0.161145 0.835421 F\n0.912301 0.495737 0.160453 F\n0.912301 0.504263 0.839547 F\n0.968646 0.500000 0.500000 F\n0.031354 0.000000 0.000000 F\n0.087699 0.995737 0.339547 F\n0.087699 0.004263 0.660453 F\n0.092028 0.338855 0.335421 F\n0.092028 0.661145 0.664579 F\n0.119125 0.350919 0.996742 F\n0.119125 0.649081 0.003258 F\n0.412942 0.649314 0.495072 F\n0.412942 0.350686 0.504928 F\n0.426629 0.665542 0.172938 F\n0.426629 0.334458 0.827062 F\n0.394702 0.004711 0.166872 F\n0.394702 0.995289 0.833128 F\n0.453674 0.325995 0.158461 F\n0.453674 0.674005 0.841539 F\n0.430606 0.000000 0.500000 F\n0.569394 0.500000 0.000000 F\n0.546326 0.174005 0.658461 F\n0.546326 0.825995 0.341539 F\n0.605298 0.495289 0.666872 F\n0.605298 0.504711 0.333128 F\n0.573371 0.165542 0.327062 F\n0.573371 0.834458 0.672938 F\n0.587058 0.149314 0.004928 F\n0.587058 0.850686 0.995072 F\n",
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],
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"formula_full": "Li8 Mn16 O4 F32",
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"spacegroup": 18
},
{
"id": "mp-1245517",
"created_at": "2022-09-04T14:39:05.722067Z",
"structure_string": "Li16 Re16 N32\n1.0\n5.772134 0.000000 0.000000\n0.000000 10.510741 0.000000\n0.000000 0.000000 13.412448\nLi Re N\n16 16 32\ndirect\n0.104177 0.028301 0.424298 Li\n0.604177 0.471699 0.575702 Li\n0.895823 0.528301 0.075702 Li\n0.395823 0.971699 0.924298 Li\n0.895823 0.971699 0.575702 Li\n0.395823 0.528301 0.424298 Li\n0.104177 0.471699 0.924298 Li\n0.604177 0.028301 0.075702 Li\n0.282056 0.256907 0.309693 Li\n0.782056 0.243093 0.690307 Li\n0.717944 0.756907 0.190307 Li\n0.217944 0.743093 0.809693 Li\n0.717944 0.743093 0.690307 Li\n0.217944 0.756907 0.309693 Li\n0.282056 0.243093 0.809693 Li\n0.782056 0.256907 0.190307 Li\n0.606367 0.993989 0.317760 Re\n0.106367 0.506011 0.682240 Re\n0.393633 0.493989 0.182240 Re\n0.893633 0.006011 0.817760 Re\n0.393633 0.006011 0.682240 Re\n0.893633 0.493989 0.317760 Re\n0.606367 0.506011 0.817760 Re\n0.106367 0.993989 0.182240 Re\n0.804602 0.285168 0.422175 Re\n0.304602 0.214832 0.577825 Re\n0.195398 0.785168 0.077825 Re\n0.695398 0.714832 0.922175 Re\n0.195398 0.714832 0.577825 Re\n0.695398 0.785168 0.422175 Re\n0.804602 0.214832 0.922175 Re\n0.304602 0.285168 0.077825 Re\n0.084468 0.220968 0.457641 N\n0.584468 0.279032 0.542359 N\n0.915532 0.720968 0.042359 N\n0.415532 0.779032 0.957641 N\n0.915532 0.779032 0.542359 N\n0.415532 0.720968 0.457641 N\n0.084468 0.279032 0.957641 N\n0.584468 0.220968 0.042359 N\n0.736384 0.470434 0.439697 N\n0.236384 0.029566 0.560303 N\n0.263616 0.970434 0.060303 N\n0.763616 0.529566 0.939697 N\n0.263616 0.529566 0.560303 N\n0.763616 0.970434 0.439697 N\n0.736384 0.029566 0.939697 N\n0.236384 0.470434 0.060303 N\n0.638417 0.185183 0.335308 N\n0.138417 0.314817 0.664692 N\n0.361583 0.685183 0.164692 N\n0.861583 0.814817 0.835308 N\n0.361583 0.814817 0.664692 N\n0.861583 0.685183 0.335308 N\n0.638417 0.314817 0.835308 N\n0.138417 0.185183 0.164692 N\n0.712249 0.475834 0.200428 N\n0.212249 0.024166 0.799572 N\n0.287751 0.975834 0.299572 N\n0.787751 0.524166 0.700428 N\n0.287751 0.524166 0.799572 N\n0.787751 0.975834 0.200428 N\n0.712249 0.024166 0.700428 N\n0.212249 0.475834 0.299572 N\n",
"nsites": 64,
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"elements": [
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],
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"formula_full": "Li16 Re16 N32",
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"formula_anonymous": "ABC2",
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{
"id": "mp-28987",
"created_at": "2022-09-04T14:39:05.722836Z",
"structure_string": "Na4 Pt8 Se12\n1.0\n3.762507 -6.516853 0.000000\n3.762507 6.516853 0.000000\n0.000000 0.000000 11.640483\nNa Pt Se\n4 8 12\ndirect\n0.333333 0.666667 0.313756 Na\n0.666667 0.333333 0.813756 Na\n0.000000 0.000000 0.690901 Na\n0.000000 0.000000 0.190901 Na\n0.833872 0.166128 0.006410 Pt\n0.667743 0.833872 0.506410 Pt\n0.166128 0.332257 0.506410 Pt\n0.833872 0.667743 0.006410 Pt\n0.332257 0.166128 0.006410 Pt\n0.166128 0.833872 0.506410 Pt\n0.666667 0.333333 0.499163 Pt\n0.333333 0.666667 0.999163 Pt\n0.498394 0.501606 0.609950 Se\n0.996789 0.498394 0.109950 Se\n0.501606 0.003211 0.109950 Se\n0.498394 0.996789 0.609950 Se\n0.159810 0.840190 0.897633 Se\n0.319621 0.159810 0.397633 Se\n0.840190 0.680379 0.397633 Se\n0.159810 0.319621 0.897633 Se\n0.680379 0.840190 0.897633 Se\n0.840190 0.159810 0.397633 Se\n0.501606 0.498394 0.109950 Se\n0.003211 0.501606 0.609950 Se\n",
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{
"id": "mp-556402",
"created_at": "2022-09-04T14:39:05.728466Z",
"structure_string": "Cu2 Ag10 As6 O22\n1.0\n5.991003 0.000000 0.000000\n-0.335941 9.143242 0.000000\n-0.225728 -1.279993 10.459717\nCu Ag As O\n2 10 6 22\ndirect\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.791682 0.323306 0.655571 Ag\n0.711270 0.341112 0.310451 Ag\n0.450240 0.990941 0.831719 Ag\n0.745722 0.676210 0.168373 Ag\n0.746877 0.645627 0.869855 Ag\n0.208318 0.676694 0.344429 Ag\n0.288730 0.658888 0.689549 Ag\n0.549760 0.009059 0.168281 Ag\n0.253123 0.354373 0.130145 Ag\n0.254278 0.323790 0.831627 Ag\n0.728298 0.682641 0.522765 As\n0.255094 0.704611 0.012159 As\n0.954521 0.965857 0.690733 As\n0.045479 0.034143 0.309267 As\n0.271702 0.317359 0.477235 As\n0.744906 0.295389 0.987841 As\n0.351640 0.610006 0.133001 O\n0.504747 0.210344 0.481135 O\n0.321994 0.431015 0.363868 O\n0.495253 0.789656 0.518865 O\n0.966191 0.188227 0.929017 O\n0.717763 0.054495 0.650660 O\n0.282237 0.945505 0.349340 O\n0.031180 0.197152 0.423638 O\n0.473767 0.821263 0.975547 O\n0.033809 0.811773 0.070983 O\n0.158445 0.588433 0.879930 O\n0.526233 0.178737 0.024453 O\n0.820015 0.600253 0.381230 O\n0.204491 0.054496 0.675016 O\n0.968820 0.802848 0.576362 O\n0.841555 0.411567 0.120070 O\n0.924445 0.891533 0.832938 O\n0.179985 0.399747 0.618770 O\n0.648360 0.389994 0.866999 O\n0.678006 0.568985 0.636132 O\n0.795509 0.945504 0.324984 O\n0.075555 0.108467 0.167062 O\n",
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{
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"structure_string": "K2 H4 I6 O2\n1.0\n10.179977 0.000000 0.000000\n0.000000 4.690739 0.000000\n0.000000 4.332455 8.760348\nK H I O\n2 4 6 2\ndirect\n0.763607 0.973562 0.621103 K\n0.236393 0.973562 0.121103 K\n0.796274 0.242137 0.873935 H\n0.203726 0.242137 0.373935 H\n0.646499 0.285956 0.837615 H\n0.353501 0.285956 0.337615 H\n0.454666 0.666176 0.905401 I\n0.545334 0.666176 0.405401 I\n0.243483 0.633998 0.702396 I\n0.756517 0.633998 0.202396 I\n0.031704 0.611523 0.499156 I\n0.968296 0.611523 0.999156 I\n0.732919 0.313449 0.789594 O\n0.267081 0.313449 0.289594 O\n",
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{
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"structure_string": "Ti7 Fe9 O24\n1.0\n-7.570071 0.000000 0.000000\n-0.571518 -7.591534 0.000000\n3.493137 3.239244 7.573050\nTi Fe O\n7 9 24\ndirect\n0.714165 0.715488 0.143325 Ti\n0.532112 0.029000 0.358799 Ti\n0.968282 0.470084 0.649959 Ti\n0.776794 0.781818 0.851963 Ti\n0.219546 0.219969 0.143320 Ti\n0.030954 0.530963 0.353559 Ti\n0.280197 0.280323 0.851797 Ti\n0.283545 0.781146 0.850559 Fe\n0.218030 0.716282 0.145358 Fe\n0.469102 0.471106 0.645109 Fe\n0.778591 0.279055 0.852585 Fe\n0.716234 0.218270 0.146622 Fe\n0.473647 0.971946 0.646593 Fe\n0.033116 0.033063 0.356620 Fe\n0.970427 0.967053 0.647148 Fe\n0.528051 0.533919 0.354511 Fe\n0.271547 0.462159 0.757212 O\n0.953643 0.302240 0.411392 O\n0.810448 0.937058 0.093152 O\n0.517518 0.213174 0.258492 O\n0.789606 0.959289 0.390204 O\n0.465132 0.797004 0.107145 O\n0.778900 0.962943 0.759099 O\n0.454997 0.811812 0.406734 O\n0.032665 0.701250 0.889073 O\n0.299263 0.432083 0.082414 O\n0.719206 0.544617 0.606106 O\n0.024222 0.724238 0.261938 O\n0.974607 0.287467 0.744212 O\n0.281210 0.457961 0.393342 O\n0.700325 0.564176 0.917716 O\n0.967720 0.298967 0.106995 O\n0.551312 0.190170 0.585401 O\n0.219476 0.040553 0.250404 O\n0.533309 0.204037 0.896222 O\n0.202236 0.049194 0.596712 O\n0.482710 0.781582 0.748120 O\n0.198835 0.064238 0.915820 O\n0.048671 0.679320 0.581216 O\n0.729648 0.534985 0.243052 O\n",
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{
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