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"updated_at": "2022-09-04T14:36:49.970270Z",
"structure_string": "Ti4 Te6\n1.0\n6.042677 0.000220 4.357458\n2.230139 5.616086 4.357458\n0.000323 0.000220 7.449925\nTi Te\n4 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.160141 0.160141 0.160141 Ti\n0.839858 0.839859 0.839858 Ti\n0.000000 0.000000 0.000000 Ti\n0.923090 0.574517 0.264276 Te\n0.264276 0.923090 0.574516 Te\n0.574516 0.264277 0.923089 Te\n0.425483 0.735724 0.076911 Te\n0.735724 0.076911 0.425483 Te\n0.076910 0.425484 0.735723 Te\n",
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{
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"updated_at": "2022-09-04T14:36:09.034420Z",
"structure_string": "Ti1 Te2\n1.0\n1.897210 -3.286064 0.000000\n1.897210 3.286064 0.000000\n0.000000 0.000000 6.593399\nTi Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.740646 Te\n0.333333 0.666667 0.259354 Te\n",
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{
"id": "jvasp-19",
"created_at": "2022-09-04T14:37:15.209221Z",
"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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"elements": [
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"density": 6.613057945149658,
"density_atomic": 0.04539288391947224,
"volume": 88.11953889283767,
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{
"id": "jvasp-104678",
"created_at": "2022-09-04T14:36:47.952461Z",
"updated_at": "2022-09-04T14:36:47.952490Z",
"structure_string": "Ti2 V1 Te4\n1.0\n6.520811 -0.029350 3.453101\n5.363255 3.709087 3.453101\n0.028246 0.008746 7.013830\nTi V Te\n2 1 4\ndirect\n0.001362 0.001364 0.997986 Ti\n0.246556 0.246557 0.710701 Ti\n0.752490 0.752491 0.288009 V\n0.111606 0.111607 0.542182 Te\n0.889332 0.889334 0.452661 Te\n0.364984 0.364985 0.965619 Te\n0.633667 0.633668 0.042839 Te\n",
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"elements": [
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"formula_full": "Ti2 V1 Te4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 8
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{
"id": "jvasp-35459",
"created_at": "2022-09-04T14:37:34.025136Z",
"updated_at": "2022-09-04T14:37:34.025157Z",
"structure_string": "Ti1 V2 Te4\n1.0\n0.000000 4.019065 0.000000\n-0.088355 0.000000 7.050999\n6.056923 -2.009533 -3.469803\nTi V Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.245518 0.269211 0.491033 V\n0.754484 0.730789 0.508967 V\n0.117643 0.459109 0.235287 Te\n0.882359 0.540892 0.764713 Te\n0.368510 0.041679 0.737017 Te\n0.631492 0.958322 0.262983 Te\n",
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{
"id": "jvasp-35411",
"created_at": "2022-09-04T14:37:31.488759Z",
"updated_at": "2022-09-04T14:37:31.488783Z",
"structure_string": "Ti2 V1 Te4\n1.0\n0.000000 3.867505 -0.000000\n0.010727 -0.000000 6.904221\n6.370492 -1.933752 -3.356082\nTi V Te\n2 1 4\ndirect\n0.251073 0.291480 0.502145 Ti\n0.748929 0.708520 0.497855 Ti\n0.000000 0.000000 0.000000 V\n0.109133 0.449409 0.218266 Te\n0.890869 0.550591 0.781734 Te\n0.367998 0.034979 0.735994 Te\n0.632004 0.965021 0.264006 Te\n",
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{
"id": "jvasp-16097",
"created_at": "2022-09-04T14:36:04.265896Z",
"updated_at": "2022-09-04T14:36:04.265911Z",
"structure_string": "Zr1 Ti1 Te4\n1.0\n0.000000 6.748738 -0.007478\n3.889366 0.000000 0.000000\n0.000000 -0.007576 -6.660038\nZr Ti Te\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Zr\n0.000000 0.000000 0.000000 Ti\n0.843549 0.500000 0.741659 Te\n0.156451 0.500000 0.258342 Te\n0.323297 0.000000 0.731945 Te\n0.676703 0.000000 0.268056 Te\n",
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"formula_full": "Zr1 Ti1 Te4",
"formula_reduced": "ZrTiTe4",
"formula_anonymous": "ABC4",
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"spacegroup": 10
},
{
"id": "jvasp-12057",
"created_at": "2022-09-04T14:36:54.706162Z",
"updated_at": "2022-09-04T14:36:54.706183Z",
"structure_string": "Zr1 Ti1 Te4\n1.0\n3.889366 0.000000 0.000000\n0.000000 6.660041 -0.003141\n0.000000 0.002984 6.748742\nZr Ti Te\n1 1 4\ndirect\n0.500000 -0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.741658 0.843549 Te\n0.500000 0.258342 0.156451 Te\n0.000000 0.731944 0.323297 Te\n0.000000 0.268055 0.676703 Te\n",
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"formula_full": "Zr1 Ti1 Te4",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-57662",
"created_at": "2022-09-04T14:38:29.355293Z",
"updated_at": "2022-09-04T14:38:29.355316Z",
"structure_string": "Tl10 Te6\n1.0\n7.797283 -0.000000 -4.501179\n-2.598419 7.351587 -4.501179\n0.064594 0.091341 9.116007\nTl Te\n10 6\ndirect\n0.194359 0.991574 0.685933 Tl\n0.805640 0.008426 0.314067 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.491573 0.694359 0.685933 Tl\n0.991573 0.491574 0.685933 Tl\n0.694359 0.194359 0.685933 Tl\n0.305641 0.805641 0.314067 Tl\n0.008426 0.508426 0.314067 Tl\n0.508426 0.305641 0.314067 Tl\n0.157419 0.342581 -0.000000 Te\n0.657419 0.157419 -0.000000 Te\n0.342581 0.842581 -0.000000 Te\n0.842581 0.657419 -0.000000 Te\n0.750000 0.750000 0.500000 Te\n0.250000 0.250000 0.500000 Te\n",
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{
"id": "jvasp-13048",
"created_at": "2022-09-04T14:38:14.531800Z",
"updated_at": "2022-09-04T14:38:14.531813Z",
"structure_string": "Tl4 Te6\n1.0\n6.608721 0.000000 0.000000\n-3.304361 6.421059 -1.928023\n0.000000 0.083078 8.064455\nTl Te\n4 6\ndirect\n0.545735 0.783365 0.552336 Tl\n0.762371 0.216635 0.947665 Tl\n0.454265 0.216635 0.447665 Tl\n0.237630 0.783365 0.052336 Tl\n0.324085 0.361641 0.078752 Te\n0.962445 0.638360 0.421249 Te\n0.675915 0.638360 0.921249 Te\n0.037555 0.361641 0.578752 Te\n0.860993 0.000000 0.250000 Te\n0.139007 0.000000 0.750000 Te\n",
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"formula_full": "Tl4 Te6",
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"spacegroup": 15
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{
"id": "jvasp-36205",
"created_at": "2022-09-04T14:37:29.720530Z",
"updated_at": "2022-09-04T14:37:29.720552Z",
"structure_string": "Tm1 Tl1 Te2\n1.0\n-2.193008 -3.798402 0.000000\n-4.386016 -0.000000 -0.000000\n-2.193008 -1.266134 -8.135897\nTm Tl Te\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Tm\n0.000000 0.000000 0.000000 Tl\n0.762903 0.762907 0.711285 Te\n0.237095 0.237096 0.288715 Te\n",
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"spacegroup": 166
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}