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{
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"structure_string": "Ba2 Pr4 Zn2 S10\n1.0\n7.093634 0.000000 -3.547174\n-1.773766 6.868289 -3.547174\n-0.005708 -0.007370 8.855091\nBa Pr Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.338682 0.161318 0.000000 Pr\n0.161317 0.661318 0.000000 Pr\n0.661317 0.838683 0.000000 Pr\n0.838682 0.338683 0.000000 Pr\n0.249999 0.750000 0.500000 Zn\n0.749999 0.250000 0.500000 Zn\n0.499999 0.500000 0.000000 S\n0.485026 0.985027 0.270102 S\n0.985026 0.785074 0.270102 S\n0.285073 0.485027 0.270102 S\n0.014973 0.214926 0.729898 S\n0.714925 0.514973 0.729899 S\n0.514973 0.014973 0.729899 S\n0.214926 0.714926 0.729899 S\n0.785073 0.285074 0.270102 S\n0.000000 0.000000 0.000000 S\n",
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{
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"structure_string": "Ba6 Ac2\n1.0\n8.528239 -0.000000 0.000000\n-4.264119 7.385672 0.000000\n-0.000000 -0.000000 6.841598\nBa Ac\n6 2\ndirect\n0.170144 0.340287 0.250000 Ba\n0.659713 0.829856 0.250000 Ba\n0.170143 0.829856 0.250000 Ba\n0.829856 0.659713 0.750000 Ba\n0.340287 0.170144 0.750000 Ba\n0.829856 0.170144 0.750000 Ba\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
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{
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"created_at": "2022-09-04T14:38:43.692504Z",
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"structure_string": "H12 C24 S2 O4\n1.0\n5.882047 -0.048570 -0.416230\n-0.832689 7.269382 -1.850950\n0.047842 -0.104795 10.111583\nH C S O\n12 24 2 4\ndirect\n0.307109 0.018716 0.760121 H\n0.144539 0.859270 0.523112 H\n0.682392 0.762307 0.841005 H\n0.682393 0.262307 0.841006 H\n0.520566 0.603140 0.603347 H\n0.520567 0.103140 0.603347 H\n0.144538 0.359270 0.523112 H\n0.354433 0.030927 0.172289 H\n0.164124 0.589561 0.401377 H\n0.164125 0.089561 0.401377 H\n0.307108 0.518716 0.760120 H\n0.354433 0.530928 0.172289 H\n0.690978 0.081572 0.639489 C\n0.690977 0.581571 0.639489 C\n0.010021 0.154013 0.815024 C\n0.010020 0.654013 0.815023 C\n0.820958 0.973164 0.546864 C\n0.135559 0.037266 0.724281 C\n0.135557 0.537265 0.724281 C\n0.043143 0.947833 0.591855 C\n0.043142 0.447833 0.591855 C\n0.783469 0.671476 0.773515 C\n0.820957 0.473164 0.546864 C\n0.783470 0.171477 0.773515 C\n0.144349 0.275046 0.941482 C\n0.720803 0.883697 0.402300 C\n0.186778 0.965901 0.183498 C\n0.186778 0.465902 0.183499 C\n0.720802 0.383697 0.402299 C\n0.083784 0.496039 0.306258 C\n0.052752 0.839793 0.074986 C\n0.083784 0.996039 0.306258 C\n0.870269 0.892225 0.293320 C\n0.870268 0.392226 0.293320 C\n0.144349 0.775045 0.941482 C\n0.052753 0.339793 0.074986 C\n0.793680 0.762379 0.125234 S\n0.793680 0.262379 0.125234 S\n0.349021 0.326392 0.933435 O\n0.521034 0.805200 0.377515 O\n0.521033 0.305200 0.377515 O\n0.349020 0.826391 0.933434 O\n",
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{
"id": "jvasp-98304",
"created_at": "2022-09-04T14:36:08.037436Z",
"updated_at": "2022-09-04T14:36:08.037461Z",
"structure_string": "Sr2 H32 O20\n1.0\n6.105953 -0.023696 -0.182474\n-0.003797 6.247668 0.263155\n-0.365583 0.474831 11.326056\nSr H O\n2 32 20\ndirect\n0.971984 0.013303 0.502409 Sr\n0.019377 0.940993 -0.020006 Sr\n0.268883 0.380802 0.605837 H\n0.035310 0.421216 0.652850 H\n0.370915 0.716399 0.604519 H\n0.432164 -0.054588 0.647707 H\n0.737828 0.178377 0.713931 H\n0.597782 0.281098 0.600886 H\n0.068823 0.555416 0.163699 H\n0.721822 0.394902 0.098299 H\n0.032059 0.228208 0.156245 H\n0.741310 0.831868 0.212259 H\n0.620186 0.726167 0.106103 H\n0.385595 0.268541 0.103197 H\n0.432277 0.023545 0.128920 H\n0.709069 0.608297 0.602956 H\n0.800555 0.722871 0.714899 H\n0.184993 0.757433 0.224598 H\n0.561801 0.922785 0.842925 H\n0.626609 0.679865 0.887064 H\n0.026745 0.351867 0.304636 H\n0.229315 0.425401 0.396771 H\n0.922175 0.606971 0.374315 H\n0.718488 0.213131 0.282484 H\n0.575602 0.309102 0.379343 H\n0.392221 0.001471 0.346668 H\n0.675020 0.658422 0.388194 H\n0.348723 0.758089 0.391778 H\n0.979048 0.402985 0.849499 H\n0.742338 0.348306 0.894389 H\n0.206688 0.709207 0.781078 H\n0.300166 0.571070 0.897226 H\n0.403209 0.227036 0.894697 H\n0.267971 0.179032 0.775293 H\n0.335057 0.107814 0.851356 O\n0.158362 0.689894 0.149212 O\n0.669656 0.141354 0.636888 O\n0.307487 0.843919 0.640581 O\n0.142537 0.304871 0.646790 O\n0.847954 0.671437 0.640219 O\n0.688054 0.821532 0.852277 O\n0.917641 0.326658 0.175070 O\n0.162032 0.641662 0.858652 O\n0.536619 0.454792 0.940157 O\n0.271575 0.897490 0.362280 O\n0.637726 0.171080 0.354581 O\n0.817801 0.730803 0.364823 O\n0.072304 0.370844 0.390828 O\n0.567480 0.465962 0.070836 O\n0.480028 0.502723 0.557410 O\n0.464198 0.526299 0.424449 O\n0.681661 0.866825 0.128899 O\n0.874342 0.282094 0.860497 O\n0.308742 0.126862 0.110805 O\n",
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{
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"structure_string": "K4 Cu2 H8 Cl8 O4\n1.0\n7.402231 -0.000000 0.000000\n-0.000000 7.402231 0.000000\n0.000000 0.000000 7.862308\nK Cu H Cl O\n4 2 8 8 4\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.077555 0.077555 0.323091 H\n0.422445 0.577555 0.823091 H\n0.577555 0.422445 0.823091 H\n0.922445 0.922445 0.323091 H\n0.077555 0.077555 0.676909 H\n0.577555 0.422445 0.176909 H\n0.422445 0.577555 0.176909 H\n0.922445 0.922445 0.676909 H\n0.279826 0.720174 0.500000 Cl\n0.720174 0.279826 0.500000 Cl\n0.220174 0.220174 0.000000 Cl\n0.779826 0.779826 0.000000 Cl\n0.276546 0.723454 0.000000 Cl\n0.723454 0.276546 0.000000 Cl\n0.223454 0.223454 0.500000 Cl\n0.776546 0.776546 0.500000 Cl\n0.500000 0.500000 0.749318 O\n0.500000 0.500000 0.250683 O\n0.000000 0.000000 0.750683 O\n0.000000 0.000000 0.249318 O\n",
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"structure_string": "Tl4 Cl12\n1.0\n5.739173 -0.000000 0.000000\n0.000000 7.019576 0.000000\n-0.000000 -0.000000 10.693298\nTl Cl\n4 12\ndirect\n-0.135415 0.750000 0.188262 Tl\n0.635415 0.750000 0.688262 Tl\n0.135415 0.250000 0.811739 Tl\n0.364585 0.250000 0.311738 Tl\n0.004048 0.750000 -0.026782 Cl\n0.495952 0.750000 0.473218 Cl\n-0.004048 0.250000 0.026782 Cl\n0.504048 0.250000 0.526782 Cl\n-0.012409 0.010311 0.344057 Cl\n0.512409 0.489689 0.844057 Cl\n0.012409 0.510311 0.655943 Cl\n0.487590 -0.010311 0.155943 Cl\n0.012409 -0.010311 0.655943 Cl\n0.487590 0.510311 0.155943 Cl\n-0.012409 0.489689 0.344057 Cl\n0.512409 0.010311 0.844057 Cl\n",
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"created_at": "2022-09-04T14:38:35.605417Z",
"updated_at": "2022-09-04T14:38:35.605434Z",
"structure_string": "Te8 Mo6 S4\n1.0\n-0.347862 -5.917145 0.000387\n-0.000449 -0.000162 14.113043\n-4.966667 3.260798 -0.000142\nTe Mo S\n8 6 4\ndirect\n0.642688 0.111519 0.669425 Te\n0.026719 0.888481 0.669382 Te\n0.977974 0.377276 0.336311 Te\n0.975055 0.122726 0.330359 Te\n0.355287 0.877281 0.330324 Te\n0.306533 0.388483 0.997241 Te\n0.358356 0.622717 0.336348 Te\n0.690723 0.611517 0.997278 Te\n0.326953 0.250000 0.333334 Mo\n0.707227 0.750948 0.683596 Mo\n0.626101 0.250949 0.983065 Mo\n0.006389 0.749999 0.333333 Mo\n0.976369 0.249053 0.683602 Mo\n0.356963 0.749052 0.983071 Mo\n0.689756 0.853178 0.000666 S\n0.310925 0.146823 0.000692 S\n0.022468 0.646820 0.666002 S\n0.643518 0.353179 0.665973 S\n",
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"created_at": "2022-09-04T14:38:39.254132Z",
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"structure_string": "Te8 Mo6 S4\n1.0\n0.347635 5.918669 -0.000199\n-4.965761 3.261222 0.074938\n-1.765140 3.073510 14.138676\nTe Mo S\n8 6 4\ndirect\n0.898643 0.189290 0.388730 Te\n0.358521 0.032598 0.877057 Te\n0.643308 0.977392 0.111269 Te\n0.434845 0.134047 0.622945 Te\n0.023360 0.689259 0.888732 Te\n0.231830 0.532615 0.377052 Te\n0.308150 0.634067 0.122948 Te\n0.768022 0.477392 0.611269 Te\n0.270076 0.934380 0.249251 Mo\n0.747913 0.083330 0.750000 Mo\n0.918751 0.583342 0.250000 Mo\n0.396582 0.732293 0.750750 Mo\n0.620369 0.232303 0.250749 Mo\n0.046301 0.434357 0.749250 Mo\n0.700989 0.373182 0.853227 S\n0.094064 0.793469 0.646775 S\n0.572595 0.873204 0.353223 S\n0.965671 0.293487 0.146775 S\n",
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"formula_reduced": "Te4Mo3S2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 15
},
{
"id": "jvasp-9170",
"created_at": "2022-09-04T14:38:31.733562Z",
"updated_at": "2022-09-04T14:38:31.733592Z",
"structure_string": "P8 S10\n1.0\n0.000000 6.352534 -0.134281\n10.906021 0.000000 0.000000\n0.000000 -2.543955 -6.161922\nP S\n8 10\ndirect\n0.679690 0.000128 0.403205 P\n0.320308 0.500128 0.596794 P\n0.449946 0.867151 0.497899 P\n0.550052 0.367151 0.502101 P\n0.754275 0.741127 0.580240 P\n0.245724 0.241127 0.419759 P\n0.478191 0.759200 0.046955 P\n0.521808 0.259200 0.953045 P\n0.035987 0.397183 0.367022 S\n0.964011 0.897183 0.632978 S\n0.273798 0.151980 0.710855 S\n0.726200 0.651980 0.289145 S\n0.634460 0.936218 0.085392 S\n0.240949 0.789715 0.208159 S\n0.365538 0.436218 0.914608 S\n0.850252 0.618299 0.809711 S\n0.759049 0.289715 0.791840 S\n0.149747 0.118299 0.190288 S\n",
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"elements": [
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],
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}
]
}