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{
"id": "jvasp-28758",
"created_at": "2022-09-04T14:38:30.601232Z",
"updated_at": "2022-09-04T14:38:30.601261Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.225266 0.000000 0.000000\n-1.612633 2.793205 -0.000325\n0.000000 -0.004148 32.877324\nMo W Se S\n2 2 2 6\ndirect\n0.333489 0.666975 0.089969 Mo\n0.666662 0.333320 0.279463 Mo\n0.333437 0.666870 0.468520 W\n0.666417 0.332830 0.664966 W\n0.333126 0.666250 0.717259 Se\n0.333037 0.666072 0.612608 Se\n0.333285 0.666568 0.326780 S\n0.666543 0.333081 0.042683 S\n0.666746 0.333487 0.420953 S\n0.667120 0.334238 0.137296 S\n0.666817 0.333629 0.516110 S\n0.333333 0.666666 0.232142 S\n",
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{
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"structure_string": "Li4 Mn4 Al4 O12\n1.0\n5.116860 0.267697 -1.402088\n2.494814 5.094029 -1.648648\n0.355212 -0.209459 10.001530\nLi Mn Al O\n4 4 4 12\ndirect\n0.632051 0.444156 0.873799 Li\n0.132053 0.944154 0.373799 Li\n0.367948 0.555844 0.126200 Li\n0.867946 0.055847 0.626201 Li\n0.958140 0.463922 0.202782 Mn\n0.041859 0.536079 0.797217 Mn\n0.458137 0.963923 0.702781 Mn\n0.541861 0.036078 0.297218 Mn\n0.207845 0.035607 0.956454 Al\n0.707844 0.535604 0.456454 Al\n0.792154 0.964394 0.043546 Al\n0.292154 0.464397 0.543545 Al\n0.179912 0.748877 0.967207 O\n0.439833 0.317140 0.697398 O\n0.939833 0.817139 0.197396 O\n0.560166 0.682861 0.302601 O\n0.060166 0.182861 0.802603 O\n0.615466 0.811441 0.895252 O\n0.115466 0.311439 0.395252 O\n0.384532 0.188560 0.104748 O\n0.884532 0.688562 0.604748 O\n0.820086 0.251123 0.032793 O\n0.320086 0.751123 0.532793 O\n0.679912 0.248878 0.467207 O\n",
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{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
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{
"id": "jvasp-35195",
"created_at": "2022-09-04T14:38:33.049632Z",
"updated_at": "2022-09-04T14:38:33.049670Z",
"structure_string": "Rb4 Mg4 B4 O12\n1.0\n6.964787 0.000000 -0.000000\n-0.000000 6.964787 0.000000\n-0.000000 -0.000000 6.964787\nRb Mg B O\n4 4 4 12\ndirect\n0.608262 0.391738 0.891738 Rb\n0.108262 0.108262 0.108262 Rb\n0.891738 0.608262 0.391738 Rb\n0.391738 0.891738 0.608262 Rb\n0.109046 0.609046 0.890954 Mg\n0.609046 0.890954 0.109046 Mg\n0.890954 0.109046 0.609046 Mg\n0.390954 0.390954 0.390954 Mg\n0.851357 0.851357 0.851357 B\n0.648643 0.148643 0.351357 B\n0.148643 0.351357 0.648643 B\n0.351357 0.648643 0.148643 B\n0.281132 0.498780 0.655052 O\n0.001220 0.344948 0.781132 O\n0.218868 0.501220 0.155052 O\n0.844948 0.718868 0.998780 O\n0.501220 0.155052 0.218868 O\n0.718868 0.998780 0.844948 O\n0.344948 0.781132 0.001220 O\n0.998780 0.844948 0.718868 O\n0.781132 0.001220 0.344948 O\n0.155052 0.218868 0.501220 O\n0.498780 0.655052 0.281132 O\n0.655052 0.281132 0.498780 O\n",
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{
"id": "jvasp-112033",
"created_at": "2022-09-04T14:38:43.200494Z",
"updated_at": "2022-09-04T14:38:43.200518Z",
"structure_string": "H4 C12 S4 O4\n1.0\n3.695350 -0.019468 -0.078754\n0.487572 7.491464 2.563233\n-0.369587 -0.272098 10.474797\nH C S O\n4 12 4 4\ndirect\n0.237933 0.419412 0.267036 H\n0.237934 0.919412 0.767036 H\n0.218374 0.251142 0.091843 H\n0.218374 0.751142 0.591843 H\n0.020442 0.779065 0.296969 C\n0.020444 0.279065 0.796969 C\n0.861357 0.949014 0.319798 C\n0.861357 0.449014 0.819799 C\n0.952463 0.646233 0.115900 C\n0.952463 0.146233 0.615900 C\n0.938311 0.484594 0.946652 C\n0.105685 0.885861 0.570128 C\n0.105686 0.385861 0.070128 C\n0.117049 0.976483 0.666416 C\n0.117049 0.476483 0.166416 C\n0.938310 0.984593 0.446652 C\n0.782755 0.694832 0.950578 S\n0.782754 0.194833 0.450579 S\n0.296339 0.128183 0.902218 S\n0.296337 0.628183 0.402218 S\n0.893143 0.779716 0.171399 O\n0.664023 0.555976 0.728808 O\n0.664024 0.055976 0.228809 O\n0.893143 0.279717 0.671399 O\n",
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{
"id": "jvasp-112867",
"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
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"spacegroup": 11
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{
"id": "jvasp-29022",
"created_at": "2022-09-04T14:38:32.793383Z",
"updated_at": "2022-09-04T14:38:32.793409Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503564 0.000000 0.000000\n-1.751782 3.034174 -0.000014\n0.000000 -0.000227 36.989371\nTe Mo W Se\n6 2 2 2\ndirect\n0.333352 0.666704 0.709654 Te\n0.666623 0.333246 0.046882 Te\n0.666690 0.333381 0.415642 Te\n0.666637 0.333273 0.146091 Te\n0.666686 0.333373 0.515344 Te\n0.333349 0.666698 0.610434 Te\n0.333296 0.666592 0.096452 Mo\n0.666684 0.333369 0.660090 Mo\n0.333356 0.666710 0.465485 W\n0.666662 0.333325 0.280895 W\n0.333336 0.666673 0.324775 Se\n0.333321 0.666644 0.237007 Se\n",
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{
"id": "jvasp-112605",
"created_at": "2022-09-04T14:38:42.098120Z",
"updated_at": "2022-09-04T14:38:42.098130Z",
"structure_string": "Ba2 Nd2 Cu2 Te6\n1.0\n7.797322 0.016029 0.000000\n-6.509598 4.292275 0.000000\n-0.000000 -0.000000 11.669624\nBa Nd Cu Te\n2 2 2 6\ndirect\n0.250987 0.749015 0.250000 Ba\n0.749014 0.250987 0.750000 Ba\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.500000 Nd\n0.533351 0.466650 0.250000 Cu\n0.466650 0.533351 0.750000 Cu\n0.640943 0.359058 0.065599 Te\n0.359057 0.640944 0.934401 Te\n0.359057 0.640944 0.565598 Te\n0.640943 0.359058 0.434401 Te\n0.928126 0.071874 0.250000 Te\n0.071875 0.928127 0.750000 Te\n",
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{
"id": "jvasp-112052",
"created_at": "2022-09-04T14:38:42.879035Z",
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"structure_string": "H4 C12 S4 O4\n1.0\n3.641928 0.010535 -0.567295\n-1.092657 8.279635 -1.036364\n0.159934 0.148597 10.153734\nH C S O\n4 12 4 4\ndirect\n0.402189 0.541210 0.252872 H\n0.902161 0.041202 0.752892 H\n0.676215 0.740717 0.096667 H\n0.176252 0.240738 0.596718 H\n0.738217 0.702425 0.638882 C\n0.238255 0.202420 0.138900 C\n0.157111 0.212478 0.280108 C\n0.657079 0.712457 0.780090 C\n0.368655 0.345848 0.089348 C\n0.868643 0.845865 0.589350 C\n0.627495 0.530214 0.945651 C\n0.093372 0.112192 0.568491 C\n0.593345 0.612169 0.068453 C\n0.946129 0.005658 0.650546 C\n0.446135 0.505649 0.150525 C\n0.127543 0.030254 0.445685 C\n0.475002 0.326493 0.926487 S\n0.975019 0.826535 0.426494 S\n0.143520 0.024827 0.045061 S\n0.643467 0.524848 0.545018 S\n0.491543 0.811488 0.834114 O\n0.774520 0.581646 0.839223 O\n0.274623 0.081700 0.339273 O\n0.991514 0.311503 0.334109 O\n",
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{
"id": "jvasp-85753",
"created_at": "2022-09-04T14:35:51.723903Z",
"updated_at": "2022-09-04T14:35:51.723930Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n7.910079 -0.000000 -0.000000\n-3.955039 6.850329 0.000000\n0.000000 0.000000 4.560892\nNa Li C O\n3 3 3 9\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.493998 0.506002 0.500000 Li\n0.012006 0.506002 0.500000 Li\n0.493998 0.987994 0.500000 Li\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.500000 C\n0.333333 0.666667 0.500000 C\n0.644050 0.822025 0.000000 O\n0.488264 0.511736 0.000000 O\n0.177975 0.355950 0.000000 O\n0.905242 0.810483 0.000000 O\n0.023471 0.511736 0.000000 O\n0.905242 0.094759 0.000000 O\n0.488264 0.976529 0.000000 O\n0.177975 0.822025 0.000000 O\n0.189517 0.094759 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:35:51.805413Z",
"updated_at": "2022-09-04T14:35:51.805438Z",
"structure_string": "K2 U2 Cu2 Se6\n1.0\n4.100152 0.000000 -0.000000\n-2.050077 7.180552 -0.000000\n0.000000 0.000000 10.658001\nK U Cu Se\n2 2 2 6\ndirect\n0.746465 0.492933 0.750000 K\n0.253533 0.507067 0.250000 K\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.533842 0.067685 0.250000 Cu\n0.466157 0.932314 0.750000 Cu\n0.932224 0.864450 0.250000 Se\n0.369876 0.739752 0.939754 Se\n0.630123 0.260248 0.060246 Se\n0.369876 0.739752 0.560246 Se\n0.630123 0.260248 0.439754 Se\n0.067774 0.135550 0.750000 Se\n",
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{
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"created_at": "2022-09-04T14:35:51.792317Z",
"updated_at": "2022-09-04T14:35:51.792355Z",
"structure_string": "Li3 Ni3 B3 O9\n1.0\n3.993172 -6.916376 -0.000000\n3.993172 6.916376 -0.000000\n0.000000 -0.000000 3.047198\nLi Ni B O\n3 3 3 9\ndirect\n0.299112 0.274048 0.500000 Li\n0.725952 0.025064 0.500000 Li\n0.974935 0.700887 0.500000 Li\n0.016971 0.385623 0.000000 Ni\n0.614377 0.631348 0.000000 Ni\n0.368651 0.983028 0.000000 Ni\n0.000000 0.000000 0.000000 B\n0.333333 0.666667 0.500000 B\n0.666667 0.333333 0.500000 B\n0.245644 0.779672 0.500000 O\n0.200402 0.101675 0.000000 O\n0.552557 0.134338 0.500000 O\n0.898325 0.098726 0.000000 O\n0.581781 0.447442 0.500000 O\n0.865661 0.418218 0.500000 O\n0.220328 0.465972 0.500000 O\n0.901274 0.799598 0.000000 O\n0.534027 0.754356 0.500000 O\n",
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}