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{
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"structure_string": "Te2 W4 S6\n1.0\n3.280900 0.000000 -0.000000\n-1.640450 2.841354 0.000318\n-0.000000 0.003998 41.848615\nTe W S\n2 4 6\ndirect\n0.666859 0.333717 0.423289 Te\n0.666718 0.333433 0.516054 Te\n0.333181 0.666364 0.093739 W\n0.333450 0.666900 0.469672 W\n0.666780 0.333559 0.279475 W\n0.666586 0.333171 0.660021 W\n0.333387 0.666775 0.316411 S\n0.333184 0.666369 0.696848 S\n0.666577 0.333153 0.056904 S\n0.666456 0.332911 0.130635 S\n0.333507 0.667015 0.242585 S\n0.333312 0.666623 0.623116 S\n",
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"structure_string": "Te2 W4 S6\n1.0\n3.277710 0.000021 -0.000010\n-1.638845 2.838552 -0.002988\n0.000105 0.027431 26.019322\nTe W S\n2 4 6\ndirect\n0.333593 0.667169 0.825376 Te\n0.333571 0.667142 0.676108 Te\n0.333888 0.667783 0.012590 W\n0.332982 0.665957 0.488887 W\n0.666211 0.332422 0.250697 W\n0.666926 0.333841 0.750741 W\n0.332881 0.665750 0.310095 S\n0.667225 0.334465 -0.046830 S\n0.666308 0.332619 0.429508 S\n0.667218 0.334437 0.071968 S\n0.666319 0.332628 0.548310 S\n0.332889 0.665781 0.191298 S\n",
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{
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"created_at": "2022-09-04T14:38:46.076146Z",
"updated_at": "2022-09-04T14:38:46.076160Z",
"structure_string": "Te1 S1 O2\n1.0\n4.114176 0.000000 0.000000\n0.000000 4.114176 0.000000\n0.000000 0.000000 4.070207\nTe S O\n1 1 2\ndirect\n0.500001 0.500001 0.288708 Te\n0.000000 0.000000 0.151217 S\n0.000000 0.000000 0.785546 O\n0.500001 0.500001 0.784532 O\n",
"nsites": 4,
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"volume": 68.89413150097322,
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"formula_full": "Te1 S1 O2",
"formula_reduced": "TeSO2",
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{
"id": "jvasp-115319",
"created_at": "2022-09-04T14:38:44.116494Z",
"updated_at": "2022-09-04T14:38:44.116519Z",
"structure_string": "Te1 S1 O1\n1.0\n6.350127 0.000000 0.000000\n0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nTe S O\n1 1 1\ndirect\n-0.065274 -0.090620 0.000000 Te\n0.048275 0.375781 0.000000 S\n0.300675 -0.016903 0.000000 O\n",
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"spacegroup": 6
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{
"id": "jvasp-115318",
"created_at": "2022-09-04T14:38:45.792585Z",
"updated_at": "2022-09-04T14:38:45.792608Z",
"structure_string": "Te1 S1 O1\n1.0\n2.930795 -0.000000 0.000000\n-0.000000 2.930795 -0.000000\n0.000000 -0.000000 8.323188\nTe S O\n1 1 1\ndirect\n0.000000 0.000000 0.663948 Te\n0.000000 0.000000 0.238777 S\n0.000000 0.000000 0.059957 O\n",
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"formula_full": "Te1 S1 O1",
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{
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"created_at": "2022-09-04T14:36:07.803319Z",
"updated_at": "2022-09-04T14:36:07.803344Z",
"structure_string": "Te2 Se2 O8\n1.0\n4.110159 0.006730 -1.247249\n-1.006430 6.005320 -3.070802\n0.058917 -0.012891 7.483549\nTe Se O\n2 2 8\ndirect\n0.142976 0.886949 0.775245 Te\n0.867828 0.111847 0.224933 Te\n0.605880 0.623976 0.239744 Se\n0.866216 0.384338 0.760435 Se\n0.793498 0.943377 0.901488 O\n0.155338 0.215512 0.792948 O\n0.657489 0.746816 0.504643 O\n0.862476 0.422598 0.207069 O\n0.392099 0.042040 0.098688 O\n0.889191 0.805374 0.228387 O\n0.652941 0.242518 0.495526 O\n0.161076 0.577156 0.771996 O\n",
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"elements": [
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"density": 4.856280720596122,
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"volume": 185.02697451575114,
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"formula_full": "Te2 Se2 O8",
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{
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"created_at": "2022-09-04T14:36:35.713787Z",
"updated_at": "2022-09-04T14:36:35.713807Z",
"structure_string": "Te3 Se3\n1.0\n4.292771 0.012687 0.039126\n2.095491 3.805484 0.083948\n-0.018618 -0.025350 11.132047\nTe Se\n3 3\ndirect\n0.988653 0.724885 0.996944 Te\n0.268099 0.000555 0.175955 Te\n0.261398 0.011767 0.660759 Te\n0.749251 0.246651 0.342039 Se\n0.747703 0.241209 0.826824 Se\n0.984892 0.774934 0.497382 Se\n",
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"elements": [
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"volume": 181.5677723950057,
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"formula_full": "Te3 Se3",
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{
"id": "jvasp-98769",
"created_at": "2022-09-04T14:35:40.762844Z",
"updated_at": "2022-09-04T14:35:40.762869Z",
"structure_string": "Te2 S8 N8 Cl8\n1.0\n7.035868 0.027496 1.088873\n1.245859 8.719087 0.788060\n0.033325 0.015588 8.842756\nTe S N Cl\n2 8 8 8\ndirect\n0.577211 0.697552 0.949123 Te\n0.077211 0.949123 0.697552 Te\n0.029056 0.496339 0.963394 S\n0.882194 0.242908 0.170299 S\n0.910734 0.707540 0.186669 S\n0.410734 0.186670 0.707540 S\n0.382194 0.170299 0.242907 S\n0.261222 0.411860 0.467774 S\n0.761222 0.467775 0.411860 S\n0.529057 0.963394 0.496338 S\n0.009231 0.329214 0.041195 N\n0.350996 0.040427 0.626311 N\n0.351939 0.344768 0.613683 N\n0.851939 0.613684 0.344768 N\n0.245463 0.299755 0.339829 N\n0.850997 0.626311 0.040426 N\n0.509230 0.041195 0.329214 N\n0.745463 0.339830 0.299754 N\n0.308498 0.697732 0.674393 Cl\n0.172611 0.954244 0.964543 Cl\n0.928411 0.223434 0.697462 Cl\n0.808499 0.674393 0.697731 Cl\n0.049580 0.951293 0.417487 Cl\n0.428412 0.697463 0.223434 Cl\n0.549580 0.417487 0.951293 Cl\n0.672611 0.964544 0.954243 Cl\n",
"nsites": 26,
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],
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"formula_full": "Te2 S8 N8 Cl8",
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{
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"created_at": "2022-09-04T14:36:57.689437Z",
"updated_at": "2022-09-04T14:36:57.689460Z",
"structure_string": "Te1 Ru1 Se1\n1.0\n-0.000000 3.224788 3.224788\n3.224788 0.000000 3.224788\n3.224788 3.224788 0.000000\nTe Ru Se\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Ru\n0.750000 0.750000 0.750000 Se\n",
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{
"id": "jvasp-51155",
"created_at": "2022-09-04T14:36:44.217490Z",
"updated_at": "2022-09-04T14:36:44.217516Z",
"structure_string": "Te1 Ru1 Pb1\n1.0\n0.000000 3.434979 3.434979\n3.434979 0.000000 3.434979\n3.434979 3.434979 0.000000\nTe Ru Pb\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Pb\n",
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{
"id": "jvasp-119071",
"created_at": "2022-09-04T14:38:52.936319Z",
"updated_at": "2022-09-04T14:38:52.936344Z",
"structure_string": "Te2 Rh4 O12\n1.0\n4.648176 -0.000000 0.000000\n0.000000 4.648176 0.000000\n-0.000000 -0.000000 9.544458\nTe Rh O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.332376 Rh\n0.000000 0.000000 0.667624 Rh\n0.500000 0.500000 0.832376 Rh\n0.500000 0.500000 0.167624 Rh\n0.304326 0.304326 0.668992 O\n0.195675 0.804326 0.168992 O\n0.195675 0.804326 0.831008 O\n0.695675 0.695675 0.331008 O\n0.695675 0.695675 0.668992 O\n0.187892 0.812109 0.500000 O\n0.812109 0.187892 0.500000 O\n0.804326 0.195675 0.168992 O\n0.687893 0.687893 -0.000000 O\n0.312108 0.312108 -0.000000 O\n0.304326 0.304326 0.331008 O\n0.804326 0.195675 0.831008 O\n",
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"formula_full": "Te2 Rh4 O12",
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{
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"created_at": "2022-09-04T14:35:51.653750Z",
"updated_at": "2022-09-04T14:35:51.653762Z",
"structure_string": "Te2 Rh2 Cl2\n1.0\n3.576688 0.000000 -1.004082\n-0.878635 5.875399 -3.129831\n-0.024901 -0.036807 6.783689\nTe Rh Cl\n2 2 2\ndirect\n0.868277 0.537073 0.736556 Te\n0.131722 0.462927 0.263445 Te\n0.251384 0.247080 0.502768 Rh\n0.748615 0.752920 0.497232 Rh\n0.369006 0.037652 0.738012 Cl\n0.630993 0.962347 0.261988 Cl\n",
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}