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{
"id": "jvasp-9079",
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{
"id": "jvasp-52850",
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"updated_at": "2022-09-04T14:36:59.100890Z",
"structure_string": "Ti6 P6\n1.0\n3.667015 -6.351455 0.000000\n3.667015 6.351455 -0.000000\n-0.000000 -0.000000 4.894399\nTi P\n6 6\ndirect\n0.333322 -0.000000 0.250000 Ti\n-0.000000 0.333322 0.250000 Ti\n0.666677 0.666677 0.250000 Ti\n0.666677 -0.000000 0.750000 Ti\n-0.000000 0.666677 0.750000 Ti\n0.333322 0.333322 0.750000 Ti\n0.666658 -0.000000 0.250000 P\n-0.000000 0.666658 0.250000 P\n0.333341 0.333341 0.250000 P\n0.333341 -0.000000 0.750000 P\n-0.000000 0.333341 0.750000 P\n0.666658 0.666658 0.750000 P\n",
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"elements": [
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"density": 3.44537011595355,
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"formula_full": "Ti6 P6",
"formula_reduced": "TiP",
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"spacegroup": 194
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{
"id": "jvasp-40061",
"created_at": "2022-09-04T14:37:59.035376Z",
"updated_at": "2022-09-04T14:37:59.035402Z",
"structure_string": "Ti6 Pb2\n1.0\n2.983486 -5.167549 -0.000000\n2.983486 5.167549 0.000000\n-0.000000 -0.000000 4.795657\nTi Pb\n6 2\ndirect\n0.839988 0.160013 0.250000 Ti\n0.839989 0.679975 0.250000 Ti\n0.320027 0.160013 0.250000 Ti\n0.160013 0.839988 0.750000 Ti\n0.160013 0.320027 0.750000 Ti\n0.679975 0.839989 0.750000 Ti\n0.666668 0.333334 0.750000 Pb\n0.333334 0.666668 0.250000 Pb\n",
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"formula_full": "Ti6 Pb2",
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"spacegroup": 194
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{
"id": "jvasp-91577",
"created_at": "2022-09-04T14:36:12.686088Z",
"updated_at": "2022-09-04T14:36:12.686104Z",
"structure_string": "Ti6 Pd2\n1.0\n5.043715 0.000000 -0.000000\n-0.000000 5.043715 -0.000000\n0.000000 -0.000000 5.043715\nTi Pd\n6 2\ndirect\n0.000000 0.500000 0.749999 Ti\n0.500000 0.250000 0.000000 Ti\n0.749999 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.500000 0.749999 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:38:38.365813Z",
"updated_at": "2022-09-04T14:38:38.365839Z",
"structure_string": "Ti6 Pt1 Au1\n1.0\n5.058959 -0.000000 0.000000\n0.000000 5.058959 0.000000\n-0.000000 -0.000000 5.058959\nTi Pt Au\n6 1 1\ndirect\n-0.000000 0.500000 0.753038 Ti\n0.500000 0.246962 -0.000000 Ti\n0.753038 0.000000 0.500000 Ti\n-0.000000 0.500000 0.246962 Ti\n0.500000 0.753038 -0.000000 Ti\n0.246962 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.500000 Au\n",
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{
"id": "jvasp-14506",
"created_at": "2022-09-04T14:37:27.021956Z",
"updated_at": "2022-09-04T14:37:27.021965Z",
"structure_string": "Ti6 Pt2\n1.0\n5.028443 -0.000000 0.000000\n0.000000 5.028443 0.000000\n0.000000 0.000000 5.028443\nTi Pt\n6 2\ndirect\n0.000000 0.250000 0.500000 Ti\n0.000000 0.749999 0.500000 Ti\n0.250000 0.500000 0.000000 Ti\n0.749999 0.500000 0.000000 Ti\n0.500000 0.000000 0.250000 Ti\n0.500000 0.000000 0.749999 Ti\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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"density": 8.846560687823386,
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"spacegroup": 223
},
{
"id": "jvasp-22900",
"created_at": "2022-09-04T14:38:26.748486Z",
"updated_at": "2022-09-04T14:38:26.748495Z",
"structure_string": "Ti6 Rh10\n1.0\n4.115309 0.000000 0.000000\n0.000000 5.406275 -0.000000\n0.000000 0.000000 10.503051\nTi Rh\n6 10\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.339239 0.144010 Ti\n0.500000 0.660762 0.855990 Ti\n0.500000 0.839239 0.355990 Ti\n0.500000 0.160762 0.644010 Ti\n0.000000 0.000000 0.500000 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.102288 0.235887 Rh\n0.000000 0.897713 0.764113 Rh\n0.000000 0.602288 0.264113 Rh\n0.000000 0.397713 0.735887 Rh\n0.500000 0.312395 0.393164 Rh\n0.500000 0.687606 0.606836 Rh\n0.500000 0.812395 0.106836 Rh\n0.500000 0.187606 0.893164 Rh\n",
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{
"id": "jvasp-19703",
"created_at": "2022-09-04T14:37:55.862099Z",
"updated_at": "2022-09-04T14:37:55.862120Z",
"structure_string": "Ti6 Sb2\n1.0\n5.211058 0.000000 -0.000000\n0.000000 5.211058 -0.000000\n0.000000 0.000000 5.211058\nTi Sb\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750000 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750000 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Ti6 Se8\n1.0\n4.947741 -8.569740 0.000000\n4.947741 8.569740 -0.000000\n-0.000000 -0.000000 3.580729\nTi Se\n6 8\ndirect\n0.359152 0.870478 0.750000 Ti\n0.488674 0.359152 0.250000 Ti\n0.870478 0.511325 0.250000 Ti\n0.129521 0.488674 0.750000 Ti\n0.511326 0.640848 0.750000 Ti\n0.640848 0.129521 0.250000 Ti\n0.049690 0.699614 0.750000 Se\n0.350075 0.049690 0.250000 Se\n0.699613 0.649924 0.250000 Se\n0.300386 0.350075 0.750000 Se\n0.649924 0.950310 0.750000 Se\n0.950310 0.300386 0.250000 Se\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
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{
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"created_at": "2022-09-04T14:36:51.787492Z",
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"structure_string": "Ti6 Si2\n1.0\n5.624652 -0.000000 0.000000\n-2.812326 4.871092 0.000000\n-0.000000 -0.000000 4.524186\nTi Si\n6 2\ndirect\n0.171028 0.342057 0.250000 Ti\n0.657942 0.828971 0.250000 Ti\n0.171028 0.828971 0.250000 Ti\n0.828970 0.657943 0.750001 Ti\n0.342057 0.171028 0.750001 Ti\n0.828971 0.171028 0.750001 Ti\n0.666666 0.333333 0.250000 Si\n0.333332 0.666666 0.750001 Si\n",
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{
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"structure_string": "Ti6 Si2 B1\n1.0\n3.390940 -5.873280 -0.000000\n3.390940 5.873280 0.000000\n-0.000000 -0.000000 3.327207\nTi Si B\n6 2 1\ndirect\n0.238711 0.238711 0.500000 Ti\n0.761290 0.000000 0.500000 Ti\n0.000000 0.761290 0.500000 Ti\n0.602099 0.602099 0.000000 Ti\n0.397901 0.000000 0.000000 Ti\n0.000000 0.397901 0.000000 Ti\n0.333333 0.666667 0.500000 Si\n0.666667 0.333333 0.500000 Si\n0.000000 0.000000 0.000000 B\n",
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}