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{
"id": "jvasp-110137",
"created_at": "2022-09-04T14:38:16.716921Z",
"updated_at": "2022-09-04T14:38:16.716944Z",
"structure_string": "Tm1 Ag1 Te2\n1.0\n4.426787 0.000000 0.000000\n-2.213394 3.833709 0.000000\n-0.000000 -0.000000 7.388443\nTm Ag Te\n1 1 2\ndirect\n0.333334 0.666667 0.981562 Tm\n0.000000 0.000000 0.392059 Ag\n0.000000 0.000000 0.763615 Te\n0.666668 0.333333 0.222764 Te\n",
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{
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"structure_string": "Mg5 In1\n1.0\n4.851841 -0.048344 3.690240\n1.802458 4.504869 3.690240\n-0.072185 -0.048344 6.095328\nMg In\n5 1\ndirect\n0.500000 0.167377 0.832624 Mg\n0.167376 0.832625 0.499999 Mg\n0.832624 0.500001 0.167375 Mg\n0.332041 0.332041 0.332040 Mg\n0.667960 0.667961 0.667959 Mg\n0.000000 0.000000 0.000000 In\n",
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{
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"structure_string": "Rb8 Ag4 Sb4 S16\n1.0\n0.000000 8.205901 -0.078401\n10.859929 0.000000 0.000000\n0.000000 -7.838903 -10.294214\nRb Ag Sb S\n8 4 4 16\ndirect\n0.112803 0.988318 0.735940 Rb\n0.636057 0.729107 0.995142 Rb\n0.636057 0.770894 0.495142 Rb\n0.112803 0.511682 0.235940 Rb\n0.363943 0.229107 0.504857 Rb\n0.363942 0.270893 0.004857 Rb\n0.887197 0.011682 0.264060 Rb\n0.887197 0.488318 0.764060 Rb\n0.350795 0.030166 0.228523 Ag\n0.649205 0.969834 0.771476 Ag\n0.350795 0.469834 0.728523 Ag\n0.649205 0.530166 0.271476 Ag\n0.178572 0.774844 0.037208 Sb\n0.821428 0.225156 0.962792 Sb\n0.178572 0.725156 0.537207 Sb\n0.821428 0.274844 0.462792 Sb\n0.164976 0.816751 0.212553 S\n0.688213 0.072248 0.444524 S\n0.835023 0.183249 0.787447 S\n0.152266 0.227681 0.163485 S\n0.847733 0.772319 0.836514 S\n0.611380 0.067252 0.950694 S\n0.688213 0.427752 0.944523 S\n0.164976 0.683250 0.712553 S\n0.152266 0.272319 0.663485 S\n0.611380 0.432748 0.450694 S\n0.311787 0.572248 0.055476 S\n0.311787 0.927752 0.555476 S\n0.847733 0.727681 0.336514 S\n0.835023 0.316751 0.287447 S\n0.388620 0.567252 0.549306 S\n0.388619 0.932748 0.049306 S\n",
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"formula_full": "Rb8 Ag4 Sb4 S16",
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{
"id": "jvasp-17814",
"created_at": "2022-09-04T14:38:16.732168Z",
"updated_at": "2022-09-04T14:38:16.732194Z",
"structure_string": "Zr1 In1 Ni2\n1.0\n3.864975 0.000000 2.231444\n1.288325 3.643935 2.231444\n0.000000 0.000000 4.462890\nZr In Ni\n1 1 2\ndirect\n0.500000 0.499999 0.499999 Zr\n0.000000 0.000000 0.000000 In\n0.750000 0.749999 0.749999 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
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{
"id": "jvasp-110060",
"created_at": "2022-09-04T14:38:16.732524Z",
"updated_at": "2022-09-04T14:38:16.732541Z",
"structure_string": "Yb2 Rh1 Au1\n1.0\n4.189949 -0.000000 2.419068\n1.396650 3.950321 2.419068\n-0.000000 -0.000000 4.838136\nYb Rh Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750001 Yb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500001 Au\n",
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{
"id": "jvasp-20148",
"created_at": "2022-09-04T14:38:16.734023Z",
"updated_at": "2022-09-04T14:38:16.734043Z",
"structure_string": "Rh3 Se8\n1.0\n6.048052 0.013074 -0.090699\n-0.092265 6.047363 -0.090699\n0.012849 0.013074 6.048719\nRh Se\n3 8\ndirect\n0.500000 -0.000001 0.500000 Rh\n0.000000 0.499999 0.500000 Rh\n0.500000 0.499999 -0.000000 Rh\n0.881517 0.381746 0.112994 Se\n0.381747 0.112993 0.881517 Se\n0.112995 0.881516 0.381747 Se\n0.378058 0.378057 0.378058 Se\n0.621942 0.621941 0.621942 Se\n0.887006 0.118482 0.618253 Se\n0.618253 0.887005 0.118483 Se\n0.118484 0.618252 0.887006 Se\n",
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"formula_full": "Rh3 Se8",
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{
"id": "jvasp-39584",
"created_at": "2022-09-04T14:38:16.735830Z",
"updated_at": "2022-09-04T14:38:16.735853Z",
"structure_string": "U1 Ga1\n1.0\n1.478420 -2.560698 0.000000\n1.478420 2.560698 -0.000000\n-0.000000 -0.000000 5.260433\nU Ga\n1 1\ndirect\n0.666667 0.333333 0.500000 U\n0.333333 0.666667 0.000000 Ga\n",
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{
"id": "jvasp-31724",
"created_at": "2022-09-04T14:38:16.738589Z",
"updated_at": "2022-09-04T14:38:16.738600Z",
"structure_string": "Nb1 W3 Se8\n1.0\n-3.365281 0.196196 13.090534\n-1.853525 -2.815598 -13.090522\n3.364977 -0.195691 13.090447\nNb W Se\n1 3 8\ndirect\n0.549550 0.674628 0.875078 Nb\n0.958347 0.333292 0.624916 W\n0.034178 0.659251 0.375074 W\n0.458376 0.333293 0.124947 W\n0.140662 0.329112 0.811642 Se\n0.727948 0.666522 0.061293 Se\n0.855346 0.666631 0.188542 Se\n0.267477 0.329170 0.938501 Se\n0.646465 0.337439 0.309111 Se\n0.228099 0.666660 0.561305 Se\n0.355221 0.666493 0.688555 Se\n0.778332 0.337503 0.441034 Se\n",
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],
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"density_atomic": 0.046593259188962406,
"volume": 257.54798459865435,
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"formula_full": "Nb1 W3 Se8",
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{
"id": "jvasp-10060",
"created_at": "2022-09-04T14:38:16.742685Z",
"updated_at": "2022-09-04T14:38:16.742711Z",
"structure_string": "Ca2 Fe4 O8\n1.0\n6.105349 -0.032995 -0.086058\n3.024100 5.303884 -0.086058\n2.972883 1.716396 4.854698\nCa Fe O\n2 4 8\ndirect\n0.125000 0.625000 0.625000 Ca\n0.625000 0.125000 0.625000 Ca\n0.988354 0.988351 0.011647 Fe\n0.261648 0.261647 0.238352 Fe\n0.625001 0.624999 0.124999 Fe\n0.625000 0.625000 0.625000 Fe\n0.403458 0.403458 0.330367 O\n0.415280 0.855842 0.364438 O\n0.403457 0.403458 0.862717 O\n0.855843 0.415280 0.364438 O\n0.394158 0.834720 0.885561 O\n0.834720 0.394158 0.885561 O\n0.846543 0.846541 0.387282 O\n0.846542 0.846542 0.919632 O\n",
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{
"id": "jvasp-52413",
"created_at": "2022-09-04T14:38:16.742869Z",
"updated_at": "2022-09-04T14:38:16.742889Z",
"structure_string": "Hf12 Zn12 C4\n1.0\n6.050159 6.050159 0.000000\n-0.000000 6.050159 6.050159\n6.050159 -0.000000 6.050159\nHf Zn C\n12 12 4\ndirect\n0.561904 0.938096 0.938096 Hf\n0.311904 0.688096 0.311904 Hf\n0.311904 0.311904 0.688096 Hf\n0.311904 0.688096 0.688096 Hf\n0.688096 0.688096 0.311904 Hf\n0.688096 0.311904 0.311904 Hf\n0.688096 0.311904 0.688096 Hf\n0.938096 0.938096 0.561904 Hf\n0.938096 0.561904 0.561904 Hf\n0.561904 0.938096 0.561904 Hf\n0.561904 0.561904 0.938096 Hf\n0.938096 0.561904 0.938096 Hf\n0.917546 0.917546 0.917546 Zn\n0.125000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.625000 0.125000 0.125000 Zn\n0.917546 0.247363 0.917546 Zn\n0.332454 0.332454 0.002637 Zn\n0.247363 0.917546 0.917546 Zn\n0.332454 0.332454 0.332454 Zn\n0.332454 0.002637 0.332454 Zn\n0.002637 0.332454 0.332454 Zn\n0.917546 0.917546 0.247363 Zn\n0.625000 0.125000 0.625000 C\n0.125000 0.625000 0.625000 C\n0.625000 0.625000 0.125000 C\n0.625000 0.625000 0.625000 C\n",
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{
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"structure_string": "K8 Ba2 V4 S16\n1.0\n8.232364 -0.000000 -3.536186\n-1.856898 8.725585 -4.322923\n-0.005844 -0.015725 11.337103\nK Ba V S\n8 2 4 16\ndirect\n0.250027 0.000027 0.500053 K\n0.749973 0.499973 0.499946 K\n0.701409 0.575500 0.151000 K\n0.298590 0.424499 0.849000 K\n0.749973 -0.000027 0.499946 K\n0.449590 0.075500 0.151000 K\n0.550409 0.924499 0.848999 K\n0.250027 0.500026 0.500053 K\n-0.000000 0.750000 -0.000000 Ba\n-0.000000 0.250000 -0.000000 Ba\n0.345080 0.635150 0.270301 V\n0.654920 0.364849 0.729699 V\n0.925220 0.135150 0.270300 V\n0.074779 0.864849 0.729699 V\n0.515635 0.248309 0.496618 S\n0.082735 0.608512 0.217024 S\n0.221930 0.733287 0.822556 S\n0.778070 0.266711 0.177443 S\n0.134290 0.108512 0.217024 S\n0.778069 0.910732 0.177443 S\n0.600626 0.589267 0.822556 S\n0.600626 0.233288 0.822556 S\n0.484364 0.751690 0.503381 S\n0.221930 0.089267 0.822556 S\n0.399374 0.410732 0.177444 S\n0.865709 0.891487 0.782975 S\n0.980983 0.748309 0.496618 S\n0.399373 0.766711 0.177444 S\n0.019016 0.251690 0.503381 S\n0.917265 0.391487 0.782975 S\n",
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{
"id": "jvasp-109818",
"created_at": "2022-09-04T14:38:16.747764Z",
"updated_at": "2022-09-04T14:38:16.747775Z",
"structure_string": "Li1 Mn3 O4 F2\n1.0\n4.161819 -0.063809 2.603660\n-1.067427 4.618975 -2.795126\n0.013386 0.031636 5.403691\nLi Mn O F\n1 3 4 2\ndirect\n0.602140 0.893609 0.611637 Li\n0.156516 0.436614 0.163694 Mn\n0.380323 0.071892 0.353118 Mn\n0.830519 0.502437 0.853458 Mn\n0.094450 0.280990 0.459498 O\n0.543506 0.739764 0.217350 O\n0.764862 0.267138 0.104585 O\n0.449489 0.261151 0.765483 O\n0.225522 0.767552 0.929988 F\n0.952678 0.778859 0.541184 F\n",
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],
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"density": 4.386470713645994,
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"formula_full": "Li1 Mn3 O4 F2",
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}
]
}