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{
"id": "jvasp-36301",
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"updated_at": "2022-09-04T14:37:28.259047Z",
"structure_string": "Cr1 Te1\n1.0\n2.861897 2.861897 -0.000000\n2.861897 -0.000000 -2.861897\n-0.000000 2.861897 -2.861897\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Te\n",
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{
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"structure_string": "Cr4 Te4\n1.0\n4.118170 -0.000000 0.000000\n0.000000 6.336665 0.000000\n0.000000 0.000000 7.131960\nCr Te\n4 4\ndirect\n0.750000 0.999980 0.749991 Cr\n0.250000 0.000020 0.250009 Cr\n0.750000 0.499980 0.750009 Cr\n0.250000 0.500019 0.249991 Cr\n0.750000 0.749995 0.416656 Te\n0.250000 0.250005 0.583344 Te\n0.750000 0.249996 0.083344 Te\n0.250000 0.750004 0.916656 Te\n",
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{
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"structure_string": "Cr4 Te4\n1.0\n4.118171 0.000000 0.000000\n0.000000 6.336663 0.000000\n0.000000 0.000000 7.131959\nCr Te\n4 4\ndirect\n0.750000 0.999980 0.250009 Cr\n0.250000 0.000019 0.749992 Cr\n0.750000 0.499980 0.249991 Cr\n0.250000 0.500019 0.750009 Cr\n0.750000 0.749995 0.583344 Te\n0.250000 0.250004 0.416656 Te\n0.750000 0.249995 0.916656 Te\n0.250000 0.750004 0.083344 Te\n",
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{
"id": "jvasp-204",
"created_at": "2022-09-04T14:37:42.489681Z",
"updated_at": "2022-09-04T14:37:42.489713Z",
"structure_string": "Cr8 Te16\n1.0\n3.833778 -6.640299 0.000000\n3.833778 6.640299 0.000000\n0.000000 0.000000 12.283267\nCr Te\n8 16\ndirect\n0.000000 0.500000 0.749984 Cr\n0.500000 0.500000 0.749984 Cr\n0.000000 0.000000 0.749973 Cr\n0.000000 0.000000 0.250028 Cr\n0.500000 -0.000000 0.749984 Cr\n0.500000 0.000000 0.250016 Cr\n0.500000 0.500000 0.250016 Cr\n-0.000000 0.500000 0.250016 Cr\n0.666667 0.333333 0.876203 Te\n0.666667 0.333333 0.376235 Te\n0.833338 0.166663 0.123807 Te\n0.833327 0.166674 0.623761 Te\n0.333347 0.166674 0.623761 Te\n0.333326 0.166663 0.123807 Te\n0.666674 0.833338 0.876193 Te\n0.333333 0.666667 0.123798 Te\n0.166663 0.833338 0.876193 Te\n0.166674 0.833327 0.376239 Te\n0.833327 0.666654 0.623761 Te\n0.333333 0.666667 0.623766 Te\n0.166674 0.333347 0.376239 Te\n0.166663 0.333326 0.876193 Te\n0.666654 0.833327 0.376239 Te\n0.833338 0.666674 0.123807 Te\n",
"nsites": 24,
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"elements": [
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"density": 6.525237123523085,
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"volume": 625.4008741760393,
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"formula_full": "Cr8 Te16",
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"spacegroup": 164
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{
"id": "jvasp-20801",
"created_at": "2022-09-04T14:37:06.363829Z",
"updated_at": "2022-09-04T14:37:06.363850Z",
"structure_string": "Cr8 Te12\n1.0\n3.435563 -5.950571 -0.000000\n3.435563 5.950571 -0.000000\n0.000000 0.000000 12.287873\nCr Te\n8 12\ndirect\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.666667 0.333333 0.006554 Cr\n0.666667 0.333333 0.493446 Cr\n0.333333 0.666667 0.993446 Cr\n0.333333 0.666667 0.506554 Cr\n0.667343 0.669940 0.123621 Te\n0.002597 0.669940 0.376379 Te\n0.330059 0.332656 0.376379 Te\n0.667343 0.997402 0.376379 Te\n0.997402 0.667343 0.876379 Te\n0.669940 0.667343 0.623621 Te\n0.332656 0.330059 0.876379 Te\n0.997402 0.330059 0.623621 Te\n0.330059 0.997402 0.123621 Te\n0.332657 0.002597 0.623621 Te\n0.669940 0.002597 0.876379 Te\n0.002597 0.332657 0.123621 Te\n",
"nsites": 20,
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"elements": [
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{
"id": "jvasp-36274",
"created_at": "2022-09-04T14:37:17.963607Z",
"updated_at": "2022-09-04T14:37:17.963637Z",
"structure_string": "Cr1 Te1\n1.0\n3.114745 3.114745 -0.000000\n3.114745 -0.000000 -3.114745\n0.000000 3.114745 -3.114745\nCr Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Te\n",
"nsites": 2,
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"elements": [
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"volume": 60.436247031034085,
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"formula_full": "Cr1 Te1",
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{
"id": "jvasp-94884",
"created_at": "2022-09-04T14:35:55.880447Z",
"updated_at": "2022-09-04T14:35:55.880473Z",
"structure_string": "Cr3 Te4\n1.0\n0.000000 3.994233 -0.000000\n0.024586 -0.000000 6.948019\n6.204959 -1.997116 -3.340092\nCr Te\n3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.740658 0.720571 0.481317 Cr\n0.259341 0.279430 0.518684 Cr\n0.632672 0.972490 0.265345 Te\n0.367327 0.027511 0.734656 Te\n0.880294 0.547133 0.760591 Te\n0.119705 0.452867 0.239410 Te\n",
"nsites": 7,
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"formula_full": "Cr3 Te4",
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"formula_anonymous": "A3B4",
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"spacegroup": 12
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{
"id": "jvasp-57868",
"created_at": "2022-09-04T14:37:00.461897Z",
"updated_at": "2022-09-04T14:37:00.461927Z",
"structure_string": "Cr4 Sn8\n1.0\n5.208717 -0.000000 1.530565\n2.604359 4.679320 0.765283\n0.006316 -0.000000 9.606770\nCr Sn\n4 8\ndirect\n0.251715 0.750000 0.496572 Cr\n0.998286 0.750000 0.003428 Cr\n0.748286 0.250000 0.503428 Cr\n0.001715 0.250000 0.996572 Cr\n0.543680 0.750000 0.912641 Sn\n0.706322 0.750000 0.587359 Sn\n0.456321 0.250000 0.087359 Sn\n0.293680 0.250000 0.412641 Sn\n0.290003 0.419997 0.750000 Sn\n0.959999 0.080003 0.750000 Sn\n0.709999 0.580003 0.250000 Sn\n0.040003 0.919997 0.250000 Sn\n",
"nsites": 12,
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"volume": 234.1030065849414,
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"formula_full": "Cr4 Sn8",
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"spacegroup": 70
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{
"id": "jvasp-122556",
"created_at": "2022-09-04T14:38:54.626594Z",
"updated_at": "2022-09-04T14:38:54.626619Z",
"structure_string": "Cr1 Sn7\n1.0\n6.538258 0.000000 0.000000\n-0.000000 6.538258 0.000000\n0.000000 -0.000000 6.538258\nCr Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Cr\n0.239931 0.239931 0.739931 Sn\n0.000000 0.500000 0.000000 Sn\n0.239931 0.760069 0.260069 Sn\n0.500000 0.000000 0.000000 Sn\n0.760069 0.239931 0.260069 Sn\n0.500000 0.500000 0.500000 Sn\n0.760069 0.760069 0.739931 Sn\n",
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{
"id": "jvasp-7740",
"created_at": "2022-09-04T14:37:06.162105Z",
"updated_at": "2022-09-04T14:37:06.162141Z",
"structure_string": "Cr3 Si6\n1.0\n2.217227 -3.840349 0.000000\n2.217227 3.840349 0.000000\n-0.000000 -0.000000 6.389550\nCr Si\n3 6\ndirect\n0.500000 0.000000 0.500000 Cr\n0.500001 0.500001 0.833333 Cr\n0.000000 0.500000 0.166667 Cr\n0.332816 0.166409 0.166667 Si\n0.166409 0.833592 0.833333 Si\n0.166409 0.332816 0.500000 Si\n0.667185 0.833593 0.166667 Si\n0.833592 0.166409 0.833333 Si\n0.833593 0.667185 0.500000 Si\n",
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{
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"structure_string": "Cr3 Si6\n1.0\n2.217226 -3.840350 -0.000000\n2.217226 3.840350 0.000000\n-0.000000 -0.000000 6.389554\nCr Si\n3 6\ndirect\n0.000000 0.500000 0.833333 Cr\n0.500000 0.000000 0.500000 Cr\n0.500001 0.500001 0.166667 Cr\n0.833593 0.166409 0.166667 Si\n0.166408 0.332816 0.500000 Si\n0.667185 0.833593 0.833333 Si\n0.166409 0.833593 0.166667 Si\n0.833593 0.667185 0.500000 Si\n0.332816 0.166408 0.833333 Si\n",
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{
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"structure_string": "Cr1 Si2\n1.0\n2.898512 0.000000 -1.104509\n-0.420884 2.867792 -1.104509\n0.006002 0.006947 4.371222\nCr Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.662626 0.662626 0.325251 Si\n0.337374 0.337375 0.674748 Si\n",
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}