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{
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"structure_string": "Li8 V6 P16 O58\n1.0\n4.898907 8.500275 0.000000\n-4.898907 8.500275 0.000000\n0.000000 0.031498 14.015330\nLi V P O\n8 6 16 58\ndirect\n0.316965 0.770780 0.190239 Li\n0.906086 0.769489 0.689023 Li\n0.776203 0.320669 0.691953 Li\n0.904641 0.323555 0.188874 Li\n0.229220 0.683035 0.809761 Li\n0.230511 0.093914 0.310977 Li\n0.679331 0.223797 0.308047 Li\n0.676445 0.095359 0.811126 Li\n0.005194 0.565496 0.494269 V\n0.006547 0.431986 0.995332 V\n0.430435 0.569565 0.000000 V\n0.565246 0.434754 0.500000 V\n0.434504 0.994806 0.505731 V\n0.568014 0.993453 0.004668 V\n0.314639 0.916304 0.905052 P\n0.318570 0.770317 0.408217 P\n0.768579 0.914162 0.408496 P\n0.672755 0.664040 0.622414 P\n0.667969 0.662628 0.122492 P\n0.912957 0.770371 0.909180 P\n0.083696 0.685361 0.094948 P\n0.769372 0.320781 0.909550 P\n0.229683 0.681430 0.591783 P\n0.913081 0.317944 0.407732 P\n0.085838 0.231421 0.591504 P\n0.335960 0.327245 0.377586 P\n0.337372 0.332031 0.877508 P\n0.229629 0.087043 0.090820 P\n0.679219 0.230628 0.090450 P\n0.682056 0.086919 0.592268 P\n0.241749 0.002809 0.182404 O\n0.338905 0.918870 0.414942 O\n0.231508 0.755804 0.682923 O\n0.339809 0.746456 0.910976 O\n0.475133 0.908355 0.929412 O\n0.521457 0.814676 0.576197 O\n0.615320 0.908641 0.427788 O\n0.755284 0.999857 0.683033 O\n0.744928 0.916623 0.911101 O\n0.513114 0.673427 0.082884 O\n0.479577 0.620086 0.426807 O\n0.666677 0.814066 0.075844 O\n0.669092 0.673428 0.728159 O\n0.667235 0.667250 0.228429 O\n0.818519 0.670154 0.580156 O\n0.619222 0.479559 0.925477 O\n0.672833 0.514724 0.583195 O\n0.911090 0.743962 0.415356 O\n0.003641 0.788928 0.997435 O\n0.994926 0.764311 0.181481 O\n0.997191 0.758251 0.817596 O\n0.902754 0.618486 0.926450 O\n0.817715 0.513670 0.081281 O\n0.081130 0.661095 0.585058 O\n0.903067 0.478715 0.426717 O\n0.746922 0.337276 0.409206 O\n0.210031 0.789969 0.500000 O\n0.244196 0.768492 0.317077 O\n0.759089 0.237422 0.179913 O\n0.253544 0.660191 0.089024 O\n0.091645 0.524867 0.070588 O\n0.915227 0.342180 0.916786 O\n0.185324 0.478543 0.423803 O\n0.091359 0.384680 0.572212 O\n0.995172 0.237514 0.676769 O\n0.000143 0.244716 0.316967 O\n0.004080 0.206745 0.496408 O\n0.083377 0.255072 0.088899 O\n0.326573 0.486886 0.917116 O\n0.379914 0.520423 0.573193 O\n0.185934 0.333323 0.924156 O\n0.332750 0.332765 0.771571 O\n0.326572 0.330908 0.271841 O\n0.329846 0.181481 0.419844 O\n0.520441 0.380778 0.074523 O\n0.485276 0.327167 0.416805 O\n0.256038 0.088910 0.584644 O\n0.211072 0.996359 0.002565 O\n0.235689 0.005074 0.818519 O\n0.381514 0.097246 0.073550 O\n0.486330 0.182285 0.918719 O\n0.521285 0.096933 0.573283 O\n0.662724 0.253078 0.590794 O\n0.762578 0.240911 0.820087 O\n0.791398 0.208602 0.000000 O\n0.657820 0.084773 0.083214 O\n0.762486 0.004828 0.323231 O\n0.793255 0.995920 0.503592 O\n",
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"formula_full": "Li8 V6 P16 O58",
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"energy": -669.33665724,
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{
"id": "mp-685195",
"created_at": "2022-09-04T14:46:37.805647Z",
"structure_string": "Sr3 La3 Tl3 As6 O24\n1.0\n3.742701 -6.482548 0.000000\n3.742701 6.482548 0.000000\n0.000000 0.000000 13.805214\nSr La Tl As O\n3 3 3 6 24\ndirect\n0.503487 0.999744 0.414903 Sr\n0.496257 0.496513 0.748236 Sr\n0.000256 0.503743 0.081569 Sr\n0.500440 0.000641 0.917756 La\n0.500201 0.499560 0.251089 La\n0.999359 0.499799 0.584423 La\n0.002706 0.013129 0.140647 Tl\n0.010423 0.997294 0.473980 Tl\n0.986871 0.989577 0.807313 Tl\n0.489960 0.000302 0.163483 As\n0.488832 0.999999 0.669926 As\n0.511167 0.511168 0.003259 As\n0.510342 0.510040 0.496816 As\n0.000001 0.488833 0.336592 As\n0.999698 0.489658 0.830150 As\n0.140443 0.697035 0.411603 O\n0.152395 0.698271 0.902809 O\n0.292539 0.875897 0.080453 O\n0.286502 0.864194 0.590223 O\n0.135806 0.422308 0.256890 O\n0.124103 0.416642 0.747120 O\n0.301729 0.454124 0.569476 O\n0.302965 0.443408 0.078269 O\n0.545876 0.847605 0.236142 O\n0.556592 0.859557 0.744936 O\n0.583358 0.707461 0.413787 O\n0.577692 0.713498 0.923556 O\n0.442913 0.301553 0.422264 O\n0.459227 0.303886 0.930330 O\n0.418965 0.133981 0.241986 O\n0.415978 0.123901 0.753518 O\n0.707923 0.584022 0.086852 O\n0.715016 0.581035 0.575319 O\n0.844659 0.540773 0.263664 O\n0.858641 0.557087 0.755598 O\n0.698447 0.141359 0.088931 O\n0.696114 0.155341 0.596997 O\n0.876099 0.292077 0.420185 O\n0.866019 0.284984 0.908652 O\n",
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"formula_full": "Sr3 La3 Tl3 As6 O24",
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{
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"created_at": "2022-09-04T14:46:37.830310Z",
"structure_string": "Ca4 Al4 Pt4\n1.0\n4.288936 0.000000 0.000000\n0.000000 7.259149 0.000000\n0.000000 0.000000 7.839912\nCa Al Pt\n4 4 4\ndirect\n0.250000 0.022594 0.677491 Ca\n0.250000 0.522594 0.822509 Ca\n0.750000 0.977406 0.322509 Ca\n0.750000 0.477406 0.177491 Ca\n0.250000 0.143954 0.066820 Al\n0.250000 0.643954 0.433180 Al\n0.750000 0.856046 0.933180 Al\n0.750000 0.356046 0.566820 Al\n0.250000 0.289037 0.385232 Pt\n0.250000 0.789037 0.114768 Pt\n0.750000 0.710963 0.614768 Pt\n0.750000 0.210963 0.885232 Pt\n",
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"formula_full": "Ca4 Al4 Pt4",
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{
"id": "mp-570058",
"created_at": "2022-09-04T14:46:37.834739Z",
"structure_string": "Eu1 Ge2 Ir2\n1.0\n-2.101059 2.101059 5.301793\n2.101059 -2.101059 5.301793\n2.101059 2.101059 -5.301793\nEu Ge Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.374425 0.374425 0.000000 Ge\n0.625575 0.625575 0.000000 Ge\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n",
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{
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"structure_string": "Hf1 Mg30 W1 O32\n1.0\n8.610201 0.000000 0.000000\n0.000000 8.610201 0.000000\n0.000000 0.000000 8.642009\nHf Mg W O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Hf\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.253968 0.241510 Mg\n0.000000 0.253968 0.758490 Mg\n0.000000 0.746032 0.241510 Mg\n0.000000 0.746032 0.758490 Mg\n0.500000 0.250500 0.248494 Mg\n0.500000 0.250500 0.751506 Mg\n0.500000 0.749500 0.248494 Mg\n0.500000 0.749500 0.751506 Mg\n0.253968 0.000000 0.241510 Mg\n0.253968 0.000000 0.758490 Mg\n0.250500 0.500000 0.248494 Mg\n0.250500 0.500000 0.751506 Mg\n0.746032 0.000000 0.241510 Mg\n0.746032 0.000000 0.758490 Mg\n0.749500 0.500000 0.248494 Mg\n0.749500 0.500000 0.751506 Mg\n0.251691 0.251691 0.000000 Mg\n0.255910 0.255910 0.500000 Mg\n0.251691 0.748309 0.000000 Mg\n0.255910 0.744090 0.500000 Mg\n0.748309 0.251691 0.000000 Mg\n0.744090 0.255910 0.500000 Mg\n0.748309 0.748309 0.000000 Mg\n0.744090 0.744090 0.500000 Mg\n0.000000 0.000000 0.000000 W\n0.267324 0.000000 0.000000 O\n0.247732 0.000000 0.500000 O\n0.251985 0.500000 0.000000 O\n0.249633 0.500000 0.500000 O\n0.732676 0.000000 0.000000 O\n0.752268 0.000000 0.500000 O\n0.748015 0.500000 0.000000 O\n0.750367 0.500000 0.500000 O\n0.249486 0.249486 0.251038 O\n0.249486 0.249486 0.748962 O\n0.249486 0.750514 0.251038 O\n0.249486 0.750514 0.748962 O\n0.750514 0.249486 0.251038 O\n0.750514 0.249486 0.748962 O\n0.750514 0.750514 0.251038 O\n0.750514 0.750514 0.748962 O\n0.000000 0.000000 0.266052 O\n0.000000 0.000000 0.733948 O\n0.000000 0.500000 0.253873 O\n0.000000 0.500000 0.746127 O\n0.500000 0.000000 0.253873 O\n0.500000 0.000000 0.746127 O\n0.500000 0.500000 0.251505 O\n0.500000 0.500000 0.748495 O\n0.000000 0.267324 0.000000 O\n0.000000 0.247732 0.500000 O\n0.000000 0.732676 0.000000 O\n0.000000 0.752268 0.500000 O\n0.500000 0.251985 0.000000 O\n0.500000 0.249633 0.500000 O\n0.500000 0.748015 0.000000 O\n0.500000 0.750367 0.500000 O\n",
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{
"id": "mp-1195051",
"created_at": "2022-09-04T14:46:37.855447Z",
"structure_string": "Cd2 B12 H24 N8 O20\n1.0\n-4.959119 0.000000 -4.480011\n4.959119 0.000000 -4.480011\n0.000000 -11.990994 4.480011\nCd B H N O\n2 12 24 8 20\ndirect\n0.889102 0.389102 0.500000 Cd\n0.639102 0.639102 0.000000 Cd\n0.446514 0.344370 0.522464 B\n0.821906 0.924050 0.477536 B\n0.594370 0.196514 0.022464 B\n0.174050 0.571906 0.977536 B\n0.568215 0.742637 0.553125 B\n0.189512 0.015090 0.446875 B\n0.992637 0.318215 0.053125 B\n0.265090 0.939512 0.946875 B\n0.684420 0.131155 0.635726 B\n0.495429 0.048694 0.364274 B\n0.381155 0.434420 0.135726 B\n0.298694 0.245429 0.864274 B\n0.874630 0.077523 0.792556 H\n0.284967 0.082074 0.207444 H\n0.327523 0.624630 0.292556 H\n0.332074 0.034967 0.707444 H\n0.692427 0.219218 0.816682 H\n0.402535 0.875745 0.183318 H\n0.469218 0.442427 0.316682 H\n0.125745 0.152535 0.683318 H\n0.911355 0.320792 0.795432 H\n0.525359 0.115923 0.204568 H\n0.570792 0.661355 0.295432 H\n0.365923 0.275359 0.704568 H\n0.128697 0.566228 0.731509 H\n0.834719 0.397188 0.268491 H\n0.816228 0.878697 0.231509 H\n0.647188 0.584719 0.768491 H\n0.034542 0.746584 0.672466 H\n0.074118 0.362075 0.327534 H\n0.996584 0.784542 0.172466 H\n0.612075 0.824118 0.827534 H\n0.233831 0.640263 0.635972 H\n0.004291 0.597859 0.364028 H\n0.890263 0.983831 0.135972 H\n0.847859 0.754291 0.864028 H\n0.795891 0.190147 0.767713 N\n0.422434 0.028178 0.232287 N\n0.440147 0.545891 0.267713 N\n0.278178 0.172434 0.732287 N\n0.097499 0.613751 0.659356 N\n0.954395 0.438143 0.340644 N\n0.863751 0.847499 0.159356 N\n0.688143 0.704395 0.840644 N\n0.527455 0.273972 0.422527 O\n0.851445 0.104928 0.577473 O\n0.523972 0.277455 0.922527 O\n0.354928 0.601445 0.077473 O\n0.433366 0.569061 0.547884 O\n0.021177 0.885483 0.452116 O\n0.819061 0.183366 0.047884 O\n0.135483 0.771177 0.952116 O\n0.582926 0.309707 0.623267 O\n0.686440 0.959659 0.376733 O\n0.559707 0.332926 0.123267 O\n0.209659 0.436440 0.876733 O\n0.228925 0.227587 0.498196 O\n0.729391 0.730729 0.501804 O\n0.477587 0.978925 0.998196 O\n0.980729 0.479391 0.001804 O\n0.541064 0.933686 0.614184 O\n0.319503 0.926880 0.385816 O\n0.183686 0.291064 0.114184 O\n0.176880 0.069502 0.885816 O\n",
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{
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"structure_string": "Ag4 P4 Pd2 O14\n1.0\n2.905196 8.009935 0.000000\n-2.905196 8.009935 0.000000\n0.000000 3.777948 7.435290\nAg P Pd O\n4 4 2 14\ndirect\n0.624615 0.906497 0.793733 Ag\n0.093503 0.375385 0.706267 Ag\n0.375385 0.093503 0.206267 Ag\n0.906497 0.624615 0.293733 Ag\n0.241572 0.556715 0.842101 P\n0.443285 0.758428 0.657899 P\n0.758428 0.443285 0.157899 P\n0.556715 0.241572 0.342101 P\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.698812 0.658598 0.595281 O\n0.341402 0.301188 0.904719 O\n0.301188 0.341402 0.404719 O\n0.658598 0.698812 0.095281 O\n0.473814 0.526186 0.750000 O\n0.526186 0.473814 0.250000 O\n0.292153 0.919145 0.805001 O\n0.080855 0.707847 0.694999 O\n0.707847 0.080855 0.194999 O\n0.919145 0.292153 0.305001 O\n0.688968 0.103281 0.505022 O\n0.896719 0.311032 0.994978 O\n0.311032 0.896719 0.494978 O\n0.103281 0.688968 0.005022 O\n",
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