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{
"id": "jvasp-34083",
"created_at": "2022-09-04T14:38:34.152310Z",
"updated_at": "2022-09-04T14:38:34.152339Z",
"structure_string": "Te7 Mo4 S1\n1.0\n3.504052 -0.203586 -14.161777\n1.580901 -3.147173 14.168466\n-3.517569 0.208210 -14.168065\nTe Mo S\n7 4 1\ndirect\n0.018965 0.334248 0.684749 Te\n0.606872 0.666562 0.940262 Te\n0.478623 0.667169 0.811433 Te\n0.890727 0.333222 0.557569 Te\n0.520098 0.331386 0.188750 Te\n0.110131 0.669397 0.440664 Te\n0.977927 0.666860 0.311024 Te\n0.208794 0.333120 0.875625 Mo\n0.298947 0.677322 0.621666 Mo\n0.711001 0.335013 0.375958 Mo\n0.775540 0.654063 0.121518 Mo\n0.402372 0.331640 0.070787 S\n",
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{
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"created_at": "2022-09-04T14:37:43.090267Z",
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"structure_string": "Te7 Mo4 S1\n1.0\n1.934277 2.949116 14.166558\n-1.575190 3.129999 -14.164086\n-1.938365 -2.922476 14.163443\nTe Mo S\n7 4 1\ndirect\n0.649329 0.334074 0.315279 Te\n0.228759 0.669448 0.559308 Te\n0.355999 0.667030 0.688942 Te\n0.775647 0.333189 0.442460 Te\n0.142464 0.331216 0.811281 Te\n0.726318 0.666609 0.059717 Te\n0.855904 0.667330 0.188551 Te\n0.457608 0.333248 0.124348 Mo\n0.532456 0.653960 0.878504 Mo\n0.959128 0.335097 0.624028 Mo\n0.055567 0.677218 0.378350 Mo\n0.260820 0.331582 0.929234 S\n",
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{
"id": "jvasp-34046",
"created_at": "2022-09-04T14:38:35.419294Z",
"updated_at": "2022-09-04T14:38:35.419312Z",
"structure_string": "Te7 Mo4 S1\n1.0\n1.576663 -3.146807 0.001048\n-0.012501 -0.001523 14.166668\n-5.444582 -2.727928 0.004573\nTe Mo S\n7 4 1\ndirect\n0.000002 0.630596 0.334132 Te\n0.499997 0.119328 0.166497 Te\n0.499998 0.377362 0.167731 Te\n0.000003 0.884941 0.333250 Te\n0.500002 0.622527 0.831449 Te\n0.999997 0.118716 0.669551 Te\n0.999998 0.377609 0.666330 Te\n0.999998 0.247933 0.334644 Mo\n0.500002 0.757056 0.154023 Mo\n0.499998 0.248797 0.833560 Mo\n0.000003 0.756682 0.677288 Mo\n0.500004 0.858453 0.831547 S\n",
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"elements": [
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"volume": 303.6492165834502,
"volume_molar": 15.238486032743863,
"formula_full": "Te7 Mo4 S1",
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"formula_anonymous": "AB4C7",
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"spacegroup": 6
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{
"id": "jvasp-88863",
"created_at": "2022-09-04T14:36:00.535779Z",
"updated_at": "2022-09-04T14:36:00.535809Z",
"structure_string": "Te7 As5 I1\n1.0\n4.004149 -0.000000 0.612515\n1.786533 7.127026 1.715298\n-0.094983 0.043935 14.015188\nTe As I\n7 5 1\ndirect\n0.611082 0.459011 0.318825 Te\n0.921171 0.606487 0.551172 Te\n0.226618 0.767676 0.779087 Te\n0.959278 0.251034 0.830413 Te\n0.648877 0.104574 0.597673 Te\n0.339680 0.945184 0.375456 Te\n0.040062 0.803309 0.116565 Te\n0.502300 -0.009618 0.005017 As\n0.807941 0.124493 0.259627 As\n0.121364 0.293623 0.463650 As\n0.450989 0.418617 0.679407 As\n0.762934 0.582188 0.891947 As\n0.302307 0.321920 0.073466 I\n",
"nsites": 13,
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"elements": [
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"I"
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"density": 5.78817350637781,
"density_atomic": 0.032490104784094025,
"volume": 400.12182436433164,
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"formula_full": "Te7 As5 I1",
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"spacegroup": 8
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{
"id": "jvasp-28818",
"created_at": "2022-09-04T14:38:01.214145Z",
"updated_at": "2022-09-04T14:38:01.214171Z",
"structure_string": "Te6 W4 Se2\n1.0\n3.505441 -0.000000 -0.000000\n-1.752720 3.035971 -0.000007\n-0.000000 -0.000086 37.787080\nTe W Se\n6 4 2\ndirect\n0.333397 0.666796 0.326502 Te\n0.333317 0.666636 0.708013 Te\n0.666709 0.333419 0.419841 Te\n0.666650 0.333299 0.517340 Te\n0.333281 0.666563 0.229017 Te\n0.333351 0.666702 0.610584 Te\n0.333299 0.666596 0.097230 W\n0.333332 0.666664 0.468591 W\n0.666688 0.333376 0.277751 W\n0.666683 0.333366 0.659343 W\n0.666649 0.333298 0.054372 Se\n0.666640 0.333279 0.140165 Se\n",
"nsites": 12,
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"elements": [
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"W",
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],
"chemical_system": "Se-Te-W",
"density": 6.849840435295942,
"density_atomic": 0.029839918474498836,
"volume": 402.1458708158063,
"volume_molar": 20.18149200087968,
"formula_full": "Te6 W4 Se2",
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"formula_anonymous": "AB2C3",
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{
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"created_at": "2022-09-04T14:37:33.533488Z",
"updated_at": "2022-09-04T14:37:33.533515Z",
"structure_string": "Te6 W4 Se2\n1.0\n3.499385 -0.000000 0.000000\n-1.749693 3.030530 -0.000011\n0.000000 -0.000141 39.572347\nTe W Se\n6 4 2\ndirect\n0.333357 0.666715 0.704025 Te\n0.666634 0.333268 0.047447 Te\n0.666649 0.333299 0.422913 Te\n0.666647 0.333294 0.140657 Te\n0.666648 0.333297 0.516317 Te\n0.333357 0.666715 0.610871 Te\n0.333301 0.666602 0.093865 W\n0.333328 0.666657 0.469648 W\n0.666687 0.333377 0.281798 W\n0.666680 0.333360 0.657609 W\n0.333355 0.666713 0.322858 Se\n0.333352 0.666705 0.240743 Se\n",
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"elements": [
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"density": 6.563899856841073,
"density_atomic": 0.028594277261357832,
"volume": 419.6643926446339,
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"formula_full": "Te6 W4 Se2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 156
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{
"id": "jvasp-28923",
"created_at": "2022-09-04T14:37:42.680209Z",
"updated_at": "2022-09-04T14:37:42.680230Z",
"structure_string": "Te6 W4 S2\n1.0\n3.463730 -0.000001 0.000000\n-1.731867 2.999676 -0.000007\n0.000002 -0.000103 37.916856\nTe W S\n6 4 2\ndirect\n0.333336 0.666681 0.323184 Te\n0.333347 0.666699 0.709484 Te\n0.666674 0.333347 0.419382 Te\n0.666679 0.333357 0.517588 Te\n0.333330 0.666665 0.224911 Te\n0.333333 0.666667 0.611504 Te\n0.333313 0.666624 0.099843 W\n0.333346 0.666690 0.468490 W\n0.666661 0.333332 0.274064 W\n0.666677 0.333357 0.660546 W\n0.666659 0.333315 0.060538 S\n0.666643 0.333278 0.139213 S\n",
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"density": 6.59686790196484,
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"volume": 393.958637093662,
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"formula_full": "Te6 W4 S2",
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"formula_anonymous": "AB2C3",
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{
"id": "jvasp-28454",
"created_at": "2022-09-04T14:36:40.478363Z",
"updated_at": "2022-09-04T14:36:40.478389Z",
"structure_string": "Te6 W3\n1.0\n3.569808 0.000000 0.000000\n-1.784904 3.091402 0.000000\n0.000000 0.000000 22.118822\nTe W\n6 3\ndirect\n0.333110 0.666220 0.429169 Te\n0.666789 0.333576 -0.058321 Te\n0.666749 0.333495 0.587920 Te\n0.666749 0.333495 0.106045 Te\n0.666789 0.333576 0.752285 Te\n0.333110 0.666220 0.264796 Te\n0.333432 0.666860 0.023846 W\n0.333432 0.666860 0.670119 W\n0.666447 0.332894 0.346982 W\n",
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"density": 8.960084516125539,
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{
"id": "jvasp-29257",
"created_at": "2022-09-04T14:37:39.298461Z",
"updated_at": "2022-09-04T14:37:39.298476Z",
"structure_string": "Te6 Se2 O16\n1.0\n4.845523 -0.013418 0.950107\n2.169696 6.357421 1.474276\n0.078411 0.017733 11.615016\nTe Se O\n6 2 16\ndirect\n0.145127 0.871143 0.301028 Te\n0.897616 0.537669 0.190324 Te\n0.102385 0.462330 0.809677 Te\n0.493285 0.260097 0.429863 Te\n0.506716 0.739902 0.570138 Te\n0.854873 0.128856 0.698974 Te\n0.647541 0.172151 0.086195 Se\n0.352459 0.827848 0.913806 Se\n0.071994 0.053449 0.861849 O\n0.928006 0.946550 0.138152 O\n0.165850 0.683789 0.681796 O\n0.834150 0.316210 0.318205 O\n0.507845 0.292159 0.808518 O\n0.257854 0.030782 0.563978 O\n0.742146 0.969217 0.436023 O\n0.361358 0.688363 0.440900 O\n0.638642 0.311636 0.559101 O\n0.405432 0.220172 0.213956 O\n0.594568 0.779827 0.786045 O\n0.814474 0.364378 0.062543 O\n0.185526 0.635621 0.937458 O\n0.492156 0.707840 0.191483 O\n0.992998 0.638300 0.328018 O\n0.007002 0.361699 0.671983 O\n",
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],
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{
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"created_at": "2022-09-04T14:37:07.324504Z",
"updated_at": "2022-09-04T14:37:07.324531Z",
"structure_string": "Te6 Pt4\n1.0\n4.049824 -0.000000 -0.000000\n-2.024911 3.475137 -0.473018\n-0.000000 0.049143 17.705142\nTe Pt\n6 4\ndirect\n0.244901 0.489800 0.734809 Te\n0.962488 0.924977 0.887576 Te\n0.858521 0.717042 0.575747 Te\n0.755099 0.510200 0.265191 Te\n0.037512 0.075023 0.112424 Te\n0.141479 0.282958 0.424253 Te\n0.551427 0.102855 0.654435 Pt\n0.448572 0.897145 0.345564 Pt\n0.347304 0.694606 0.041865 Pt\n0.652696 0.305394 0.958135 Pt\n",
"nsites": 10,
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"elements": [
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"density": 10.298383630635456,
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"volume": 249.27087730804766,
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{
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"created_at": "2022-09-04T14:38:36.137118Z",
"updated_at": "2022-09-04T14:38:36.137141Z",
"structure_string": "Te6 Pd20\n1.0\n7.733847 0.000000 4.465138\n2.577949 7.291540 4.465138\n0.000000 0.000000 8.930277\nTe Pd\n6 20\ndirect\n0.625000 0.125000 0.625000 Te\n0.625000 0.625000 0.125000 Te\n0.625000 0.625000 0.625000 Te\n0.250000 0.250000 0.250000 Te\n0.000000 0.000000 0.000000 Te\n0.125000 0.625000 0.625000 Te\n0.507529 0.992472 0.507529 Pd\n0.992472 0.507528 0.992472 Pd\n0.992472 0.507528 0.507529 Pd\n0.507529 0.507528 0.992472 Pd\n0.992472 0.992472 0.507529 Pd\n0.507529 0.992472 0.992472 Pd\n0.742472 0.257528 0.742472 Pd\n0.365933 0.365932 0.365933 Pd\n0.742472 0.742472 0.257529 Pd\n0.257529 0.257528 0.742472 Pd\n0.742472 0.257528 0.257529 Pd\n0.884068 0.347796 0.884068 Pd\n0.347796 0.884068 0.884068 Pd\n0.884068 0.884068 0.347796 Pd\n0.884068 0.884068 0.884068 Pd\n0.365933 0.902204 0.365933 Pd\n0.902204 0.365932 0.365933 Pd\n0.365933 0.365932 0.902204 Pd\n0.257529 0.742472 0.742472 Pd\n0.257529 0.742472 0.257529 Pd\n",
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],
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"formula_full": "Te6 Pd20",
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{
"id": "jvasp-12194",
"created_at": "2022-09-04T14:35:59.306568Z",
"updated_at": "2022-09-04T14:35:59.306605Z",
"structure_string": "Te6 O18\n1.0\n6.396011 0.000000 0.000000\n-3.198006 5.539108 0.000000\n-0.000000 -0.000000 10.065558\nTe O\n6 18\ndirect\n0.662839 -0.000000 0.498869 Te\n0.662838 0.662839 -0.001131 Te\n-0.000000 0.337161 -0.001131 Te\n-0.000000 0.662839 0.498869 Te\n0.337161 0.337161 0.498869 Te\n0.337161 -0.000000 -0.001131 Te\n-0.000000 0.249819 0.168920 O\n-0.000000 0.750182 0.668920 O\n0.249818 0.249819 0.668920 O\n0.249818 -0.000000 0.168920 O\n0.536805 -0.000000 0.337429 O\n0.536804 0.536805 0.837429 O\n-0.000000 0.463195 0.837429 O\n-0.000000 0.536805 0.337429 O\n0.000000 0.000000 0.431270 O\n0.463195 -0.000000 0.837429 O\n0.750181 0.750182 0.168920 O\n0.000000 0.000000 0.931270 O\n0.333333 0.666667 0.043006 O\n0.666667 0.333333 0.543006 O\n0.333333 0.666667 0.543006 O\n0.666667 0.333333 0.043006 O\n0.463195 0.463195 0.337429 O\n0.750181 -0.000000 0.668920 O\n",
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"elements": [
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"formula_full": "Te6 O18",
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}
]
}