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{
"id": "jvasp-79265",
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"updated_at": "2022-09-04T14:36:40.556676Z",
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{
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{
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"structure_string": "Ti2 Se2\n1.0\n4.165753 0.000000 0.000000\n0.000000 4.165753 0.000000\n0.000000 0.000000 5.429124\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.265607 Se\n0.500000 0.000000 0.734392 Se\n",
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{
"id": "jvasp-123717",
"created_at": "2022-09-04T14:38:55.380089Z",
"updated_at": "2022-09-04T14:38:55.380126Z",
"structure_string": "Ti1 Se2\n1.0\n1.766089 -3.070102 0.009335\n1.775743 3.075676 0.000000\n-0.019571 0.011299 6.083307\nTi Se\n1 2\ndirect\n-0.000000 0.333345 0.166667 Ti\n0.666872 0.666764 0.421079 Se\n0.333127 -0.000108 0.912256 Se\n",
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"elements": [
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"formula_reduced": "TiSe2",
"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-20616",
"created_at": "2022-09-04T14:38:14.531426Z",
"updated_at": "2022-09-04T14:38:14.531442Z",
"structure_string": "Ti1 Se2\n1.0\n1.773843 -3.072387 -0.000000\n1.773843 3.072387 0.000000\n0.000000 -0.000000 6.069541\nTi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.253579 Se\n0.666666 0.333332 0.746421 Se\n",
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"elements": [
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},
{
"id": "jvasp-326",
"created_at": "2022-09-04T14:37:10.840779Z",
"updated_at": "2022-09-04T14:37:10.840790Z",
"structure_string": "Ti1 Se2\n1.0\n1.773843 -3.072387 0.000000\n1.773843 3.072387 0.000000\n0.000000 0.000000 6.069541\nTi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.253579 Se\n0.666666 0.333332 0.746421 Se\n",
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},
{
"id": "jvasp-13009",
"created_at": "2022-09-04T14:37:02.256807Z",
"updated_at": "2022-09-04T14:37:02.256833Z",
"structure_string": "Ti2 Se4 O12\n1.0\n0.000000 4.777029 -0.094528\n8.375137 0.000000 0.000000\n0.000000 -2.410280 -6.310055\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.126514 0.641391 0.828462 Se\n0.873487 0.141391 0.671539 Se\n0.873487 0.358609 0.171539 Se\n0.126514 0.858610 0.328462 Se\n0.239756 0.838607 0.830429 O\n0.760245 0.338607 0.669573 O\n0.760244 0.161393 0.169572 O\n0.239756 0.661393 0.330428 O\n0.394110 0.547179 0.753560 O\n0.829839 0.843263 0.095060 O\n0.170161 0.343263 0.404941 O\n0.605891 0.452822 0.246441 O\n0.829839 0.656737 0.595060 O\n0.170162 0.156737 0.904941 O\n0.605891 0.047179 0.746441 O\n0.394110 0.952822 0.253560 O\n",
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"elements": [
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"spacegroup": 14
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{
"id": "jvasp-79554",
"created_at": "2022-09-04T14:38:01.731367Z",
"updated_at": "2022-09-04T14:38:01.731385Z",
"structure_string": "Ti2 Si2\n1.0\n3.642692 0.000000 -0.000000\n1.821345 -3.830014 2.120398\n1.821345 -3.830014 -2.120398\nTi Si\n2 2\ndirect\n0.000002 0.050772 0.949227 Ti\n0.500002 0.550773 0.449226 Ti\n0.749994 0.800735 0.699281 Si\n0.250009 0.300718 0.199264 Si\n",
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{
"id": "jvasp-14102",
"created_at": "2022-09-04T14:37:19.880092Z",
"updated_at": "2022-09-04T14:37:19.880113Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
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{
"id": "jvasp-18243",
"created_at": "2022-09-04T14:38:08.969589Z",
"updated_at": "2022-09-04T14:38:08.969604Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
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{
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"created_at": "2022-09-04T14:35:54.083828Z",
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"structure_string": "Ti4 Si4\n1.0\n3.651049 -0.000000 0.000000\n-0.000000 5.025329 0.000000\n0.000000 0.000000 6.574247\nTi Si\n4 4\ndirect\n0.250000 0.371517 0.675953 Ti\n0.750000 0.628483 0.324047 Ti\n0.750000 0.871517 0.824047 Ti\n0.250000 0.128483 0.175953 Ti\n0.250000 0.852788 0.545182 Si\n0.750000 0.147213 0.454818 Si\n0.750000 0.352788 0.954818 Si\n0.250000 0.647213 0.045182 Si\n",
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{
"id": "jvasp-54844",
"created_at": "2022-09-04T14:37:45.128538Z",
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"structure_string": "Ti1 Si2\n1.0\n3.273079 0.122389 -1.067536\n-0.407191 2.810382 -0.926294\n-0.246868 -0.042245 4.796863\nTi Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.331002 0.330991 0.662006 Si\n0.668998 0.669007 0.337993 Si\n",
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