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"id": "jvasp-29417",
"created_at": "2022-09-04T14:38:04.618088Z",
"updated_at": "2022-09-04T14:38:04.618110Z",
"structure_string": "Te4 S2 O14\n1.0\n4.594916 0.000000 0.000000\n0.000000 6.950999 0.000000\n0.000000 0.000000 8.998583\nTe S O\n4 2 14\ndirect\n0.708580 0.319594 0.699653 Te\n0.708580 0.319594 0.300347 Te\n0.208580 0.680406 0.199653 Te\n0.208580 0.680406 0.800346 Te\n0.632598 0.991848 0.000000 S\n0.132597 0.008152 0.500000 S\n0.450534 0.962158 0.136578 O\n0.450534 0.962158 0.863422 O\n0.096123 0.402719 0.244144 O\n0.738902 0.191276 0.000000 O\n0.370702 0.151380 0.500000 O\n0.238902 0.808724 0.500000 O\n0.950534 0.037842 0.363422 O\n0.795331 0.413375 0.500000 O\n0.096123 0.402719 0.755856 O\n0.596123 0.597281 0.744144 O\n0.295330 0.586626 0.000000 O\n0.950534 0.037842 0.636578 O\n0.596123 0.597281 0.255856 O\n0.870702 0.848620 0.000000 O\n",
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{
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"structure_string": "Te4 S2 O14\n1.0\n4.598084 0.000000 0.000000\n0.000000 6.951174 0.000000\n0.000000 0.000000 8.998887\nTe S O\n4 2 14\ndirect\n0.744985 0.319581 0.699648 Te\n0.244985 0.680419 0.800352 Te\n0.244985 0.680419 0.199648 Te\n0.744985 0.319581 0.300352 Te\n0.169028 0.008319 0.500000 S\n0.669028 0.991680 0.000000 S\n0.406942 0.151579 0.500000 O\n0.906942 0.848421 0.000000 O\n0.987078 0.037980 0.636579 O\n0.487078 0.962019 0.863421 O\n0.487078 0.962019 0.136579 O\n0.987078 0.037980 0.363421 O\n0.631962 0.597148 0.743935 O\n0.631962 0.597148 0.256065 O\n0.331969 0.586745 0.000000 O\n0.131963 0.402852 0.756065 O\n0.775303 0.191089 0.000000 O\n0.275304 0.808911 0.500000 O\n0.131963 0.402852 0.243935 O\n0.831969 0.413254 0.500000 O\n",
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{
"id": "jvasp-29438",
"created_at": "2022-09-04T14:37:58.486897Z",
"updated_at": "2022-09-04T14:37:58.486926Z",
"structure_string": "Te4 S2 O14\n1.0\n4.482313 0.000000 0.000000\n0.000000 6.970077 0.000000\n0.000000 0.000000 8.842438\nTe S O\n4 2 14\ndirect\n0.189581 0.820938 0.196660 Te\n0.689581 0.179062 0.303340 Te\n0.189581 0.820938 0.803340 Te\n0.689581 0.179062 0.696660 Te\n0.708376 0.480579 0.000000 S\n0.208376 0.519421 0.500000 S\n0.955419 0.634990 0.000000 O\n0.342862 0.712150 0.500000 O\n0.776764 0.060775 0.500000 O\n0.033258 0.488583 0.638701 O\n0.033258 0.488583 0.361299 O\n0.777950 0.915583 0.783133 O\n0.533258 0.511417 0.861299 O\n0.777950 0.915583 0.216868 O\n0.842862 0.287851 0.000000 O\n0.277950 0.084417 0.716868 O\n0.276764 0.939226 0.000000 O\n0.277950 0.084417 0.283132 O\n0.533258 0.511417 0.138701 O\n0.455419 0.365011 0.500000 O\n",
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"volume": 276.2560382119447,
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"formula_full": "Te4 S2 O14",
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{
"id": "jvasp-115317",
"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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"density": 4.619627544742517,
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"volume": 68.89413150097322,
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"formula_full": "Te1 S1 O2",
"formula_reduced": "TeSO2",
"formula_anonymous": "ABC2",
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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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"elements": [
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"density": 1.5188832060720785,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Te1 S1 O1",
"formula_reduced": "TeSO",
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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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"volume": 71.49251715759848,
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"formula_full": "Te1 S1 O1",
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"formula_anonymous": "ABC",
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"spacegroup": 99
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{
"id": "jvasp-51165",
"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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"density": 7.616304171557157,
"density_atomic": 0.044728852005275356,
"volume": 67.07080252464735,
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"formula_full": "Te1 Ru1 Se1",
"formula_reduced": "TeRuSe",
"formula_anonymous": "ABC",
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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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"elements": [
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"Ru",
"Pb"
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"volume": 81.05918905673897,
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"formula_reduced": "TeRuPb",
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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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{
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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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{
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"created_at": "2022-09-04T14:38:13.895615Z",
"updated_at": "2022-09-04T14:38:13.895626Z",
"structure_string": "Te12 Rh2 Cl6\n1.0\n7.229053 4.173695 3.273823\n-7.229053 4.173695 3.273823\n0.000000 -8.347389 3.273823\nTe Rh Cl\n12 2 6\ndirect\n0.806560 0.826667 0.082758 Te\n0.582759 0.326667 0.306560 Te\n0.306560 0.582759 0.326668 Te\n0.173333 0.917240 0.193438 Te\n0.917240 0.193440 0.173332 Te\n0.193440 0.173332 0.917239 Te\n0.326667 0.306560 0.582759 Te\n0.693440 0.417239 0.673331 Te\n0.673331 0.693439 0.417239 Te\n0.826667 0.082759 0.806559 Te\n0.082759 0.806559 0.826666 Te\n0.417239 0.673332 0.693438 Te\n0.750000 0.750000 0.749999 Rh\n0.250000 0.250000 0.250000 Rh\n0.250000 0.519878 0.980122 Cl\n0.019877 0.750000 0.480120 Cl\n0.750000 0.480122 0.019876 Cl\n0.480120 0.019877 0.749999 Cl\n0.980122 0.250000 0.519877 Cl\n0.519878 0.980122 0.249998 Cl\n",
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{
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"created_at": "2022-09-04T14:38:51.943560Z",
"updated_at": "2022-09-04T14:38:51.943586Z",
"structure_string": "Te12 Rh2 Br6\n1.0\n8.736720 0.089053 -2.855844\n-3.962490 7.786969 -2.855844\n0.053981 0.089053 9.191475\nTe Rh Br\n12 2 6\ndirect\n0.922519 0.169786 0.192802 Te\n0.330213 0.577481 0.307198 Te\n0.577481 0.307198 0.330213 Te\n0.830213 0.807198 0.077482 Te\n0.807198 0.077480 0.830213 Te\n0.077481 0.830213 0.807198 Te\n0.307198 0.330213 0.577481 Te\n0.422519 0.692802 0.669787 Te\n0.692802 0.669787 0.422519 Te\n0.169787 0.192801 0.922518 Te\n0.192802 0.922519 0.169787 Te\n0.669787 0.422518 0.692802 Te\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n0.478384 0.750000 0.021617 Br\n0.978384 0.521616 0.250000 Br\n0.250000 0.978384 0.521616 Br\n0.521616 0.249999 0.978384 Br\n0.750000 0.021616 0.478384 Br\n0.021616 0.478384 0.750000 Br\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Te12 Rh2 Br6",
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}
]
}