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{
"id": "jvasp-19",
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"updated_at": "2022-09-04T14:37:15.209240Z",
"structure_string": "Ti2 Te2\n1.0\n1.830689 -3.170847 0.000000\n1.830689 3.170847 0.000000\n0.000000 0.000000 7.590185\nTi Te\n2 2\ndirect\n0.666667 0.333333 0.250000 Ti\n0.333333 0.666667 0.750000 Ti\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"structure_string": "Ti2 Te2\n1.0\n1.830726 -3.170911 -0.000000\n1.830726 3.170911 0.000000\n0.000000 -0.000000 7.590140\nTi Te\n2 2\ndirect\n0.666668 0.333334 0.250000 Ti\n0.333334 0.666668 0.750000 Ti\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
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{
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"structure_string": "Ti2 Te2\n1.0\n1.861749 -3.224643 0.000000\n1.861749 3.224643 0.000000\n0.000000 0.000000 7.195814\nTi Te\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333334 0.666667 0.250000 Te\n0.666667 0.333334 0.750000 Te\n",
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{
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"created_at": "2022-09-04T14:38:33.369274Z",
"updated_at": "2022-09-04T14:38:33.369298Z",
"structure_string": "Ti2 Te2 As2\n1.0\n3.494024 0.000000 -0.902756\n-0.507342 4.943227 -1.963616\n-0.005910 -0.032099 7.190136\nTi Te As\n2 2 2\ndirect\n0.381334 0.881334 0.762668 Ti\n0.618666 0.118667 0.237332 Ti\n0.708970 0.708970 0.417941 Te\n0.291030 0.291030 0.582059 Te\n0.000000 0.751161 -0.000000 As\n0.000000 0.248840 -0.000000 As\n",
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"elements": [
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"density_atomic": 0.04841639853016711,
"volume": 123.92495481177812,
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"formula_full": "Ti2 Te2 As2",
"formula_reduced": "TiTeAs",
"formula_anonymous": "ABC",
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"spacegroup": 71
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{
"id": "jvasp-16763",
"created_at": "2022-09-04T14:38:07.628570Z",
"updated_at": "2022-09-04T14:38:07.628593Z",
"structure_string": "Ti2 Te2 P1\n1.0\n3.611363 0.009550 9.181548\n1.748561 3.159837 9.181548\n0.016151 0.009550 9.866230\nTi Te P\n2 2 1\ndirect\n0.379238 0.379239 0.379240 Ti\n0.620760 0.620761 0.620762 Ti\n0.775460 0.775462 0.775462 Te\n0.224538 0.224539 0.224539 Te\n0.000000 0.000000 0.000000 P\n",
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"elements": [
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"spacegroup": 166
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{
"id": "jvasp-86527",
"created_at": "2022-09-04T14:35:58.670737Z",
"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
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{
"id": "jvasp-85928",
"created_at": "2022-09-04T14:35:53.099056Z",
"updated_at": "2022-09-04T14:35:53.099080Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242720 0.018070 -0.833090\n-0.494086 6.775387 -2.005032\n0.006167 -0.022650 9.108973\nTi Tl P S\n2 2 2 10\ndirect\n0.502310 0.276925 0.000829 Ti\n0.497690 0.723076 0.999171 Ti\n0.725353 0.685098 0.451008 Tl\n0.274647 0.314902 0.548991 Tl\n0.277306 0.895413 0.729065 P\n0.722694 0.104588 0.270935 P\n0.156007 0.692555 0.826336 S\n0.332387 0.543750 0.132492 S\n0.397107 0.061700 0.175258 S\n0.602893 0.938300 0.824742 S\n0.159307 0.163865 0.831268 S\n0.772803 0.188102 0.501826 S\n0.667613 0.456250 0.867508 S\n0.227197 0.811899 0.498173 S\n0.840692 0.836136 0.168732 S\n0.843993 0.307446 0.173664 S\n",
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"created_at": "2022-09-04T14:36:47.188259Z",
"updated_at": "2022-09-04T14:36:47.188281Z",
"structure_string": "Ti2 V1 Ir1\n1.0\n0.000003 3.099705 3.099708\n3.099711 0.000002 3.099709\n3.099707 3.099702 0.000006\nTi V Ir\n2 1 1\ndirect\n0.500001 0.500002 0.499999 Ti\n0.000001 0.000000 0.000000 Ti\n0.749998 0.750002 0.749997 V\n0.250001 0.250002 0.250000 Ir\n",
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"spacegroup": 225
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{
"id": "jvasp-35522",
"created_at": "2022-09-04T14:37:46.844750Z",
"updated_at": "2022-09-04T14:37:46.844766Z",
"structure_string": "Ti2 V1 S4\n1.0\n0.000000 3.377239 0.000000\n0.005111 0.000000 5.995608\n5.791335 -1.688620 -2.942066\nTi V S\n2 1 4\ndirect\n0.255432 0.277603 0.510863 Ti\n0.744569 0.722397 0.489138 Ti\n0.000000 0.000000 0.000000 V\n0.117073 0.447255 0.234146 S\n0.882927 0.552745 0.765855 S\n0.372044 0.036094 0.744088 S\n0.627957 0.963906 0.255913 S\n",
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{
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"structure_string": "Ti2 V1 Se4\n1.0\n0.000000 3.556653 0.000000\n0.007827 0.000000 6.358451\n6.019676 -1.778327 -3.085447\nTi V Se\n2 1 4\ndirect\n0.253228 0.287515 0.506456 Ti\n0.746771 0.712485 0.493545 Ti\n0.000000 0.000000 0.000000 V\n0.112462 0.448489 0.224926 Se\n0.887537 0.551511 0.775076 Se\n0.369194 0.034347 0.738391 Se\n0.630805 0.965653 0.261610 Se\n",
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{
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"structure_string": "Ti2 V1 Se4\n1.0\n6.238595 -0.028003 3.101603\n5.247458 3.374172 3.101603\n0.008596 0.002504 6.408990\nTi V Se\n2 1 4\ndirect\n-0.000396 -0.000399 0.999796 Ti\n0.252321 0.252319 0.700562 Ti\n0.747516 0.747516 0.299738 V\n0.111273 0.111271 0.545822 Se\n0.890095 0.890095 0.448614 Se\n0.363830 0.363827 0.971100 Se\n0.635366 0.635366 0.034365 Se\n",
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"spacegroup": 8
},
{
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"created_at": "2022-09-04T14:37:17.893135Z",
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"structure_string": "Ti2 V1 Tc1\n1.0\n-8.771529 0.000001 -5.064244\n-5.600666 -1.036252 -0.427850\n-4.302237 2.636259 -2.676794\nTi V Tc\n2 1 1\ndirect\n0.749338 0.000001 0.000000 Ti\n0.250661 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 V\n0.499999 0.000001 0.000000 Tc\n",
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