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{
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"results": [
{
"id": "jvasp-53306",
"created_at": "2022-09-04T14:36:31.220811Z",
"updated_at": "2022-09-04T14:36:31.220844Z",
"structure_string": "Ti4 Si4 Rh4\n1.0\n3.838498 -0.000000 0.000000\n-0.000000 6.284155 0.000000\n0.000000 0.000000 7.279247\nTi Si Rh\n4 4 4\ndirect\n0.750000 0.524265 0.316742 Ti\n0.750000 0.024265 0.183258 Ti\n0.250000 0.975734 0.816742 Ti\n0.250000 0.475734 0.683259 Ti\n0.250000 0.732136 0.120516 Si\n0.750000 0.267863 0.879484 Si\n0.250000 0.232136 0.379484 Si\n0.750000 0.767863 0.620516 Si\n0.750000 0.652663 0.935622 Rh\n0.250000 0.847336 0.435622 Rh\n0.750000 0.152663 0.564379 Rh\n0.250000 0.347337 0.064378 Rh\n",
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"formula_full": "Ti4 Si4 Rh4",
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{
"id": "jvasp-40819",
"created_at": "2022-09-04T14:37:42.071123Z",
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"structure_string": "Ti1 Si1 Pt1\n1.0\n3.615805 0.000000 2.087587\n1.205269 3.409015 2.087587\n0.000000 0.000000 4.175172\nTi Si Pt\n1 1 1\ndirect\n0.500001 0.499999 0.500000 Ti\n0.000000 0.000000 0.000000 Si\n0.250001 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-40774",
"created_at": "2022-09-04T14:37:46.461721Z",
"updated_at": "2022-09-04T14:37:46.461749Z",
"structure_string": "Ti1 Si1 Pd1\n1.0\n3.600792 -0.000000 2.078919\n1.200264 3.394860 2.078919\n-0.000000 -0.000000 4.157836\nTi Si Pd\n1 1 1\ndirect\n0.499999 0.500000 0.500001 Ti\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250001 Pd\n",
"nsites": 3,
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"elements": [
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"density": 5.958283858247206,
"density_atomic": 0.0590247281165754,
"volume": 50.82615533738539,
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"formula_full": "Ti1 Si1 Pd1",
"formula_reduced": "TiSiPd",
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"spacegroup": 216
},
{
"id": "jvasp-39674",
"created_at": "2022-09-04T14:37:45.191015Z",
"updated_at": "2022-09-04T14:37:45.191035Z",
"structure_string": "Ti1 Si1 Os2\n1.0\n-0.000000 3.030054 3.030054\n3.030054 -0.000000 3.030054\n3.030054 3.030054 -0.000000\nTi Si Os\n1 1 2\ndirect\n0.749998 0.749998 0.749998 Ti\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Os\n0.499999 0.499999 0.499999 Os\n",
"nsites": 4,
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"elements": [
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"density": 13.621518574656205,
"density_atomic": 0.07189172272878792,
"volume": 55.63922866461318,
"volume_molar": 8.376681669903185,
"formula_full": "Ti1 Si1 Os2",
"formula_reduced": "TiSiOs2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-121988",
"created_at": "2022-09-04T14:38:54.420453Z",
"updated_at": "2022-09-04T14:38:54.420480Z",
"structure_string": "Ti6 Si6 Os6\n1.0\n6.245186 -0.002975 -3.985783\n-1.574321 5.633730 -4.546583\n0.007518 0.002975 7.408695\nTi Si Os\n6 6 6\ndirect\n0.445770 0.401719 0.455950 Ti\n0.554231 0.010179 0.955949 Ti\n0.026122 0.006827 0.480705 Ti\n0.973879 0.454583 0.980706 Ti\n0.246892 0.579769 0.832878 Ti\n0.753110 0.585987 0.332879 Ti\n0.338723 0.337370 0.010805 Si\n0.661278 0.672082 0.998648 Si\n0.826566 0.337370 0.498649 Si\n0.173435 0.672082 0.510804 Si\n0.782979 0.025634 0.742656 Si\n0.217022 0.959677 0.242656 Si\n0.000000 0.255875 0.255875 Os\n0.500000 0.255875 0.755876 Os\n0.408931 0.748426 0.411988 Os\n0.591070 0.003058 0.339496 Os\n0.836439 0.748426 0.839496 Os\n0.163562 0.003057 0.911987 Os\n",
"nsites": 18,
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"elements": [
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"Si",
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],
"chemical_system": "Os-Si-Ti",
"density": 10.164860936658492,
"density_atomic": 0.06899126357390574,
"volume": 260.9025993663357,
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"formula_full": "Ti6 Si6 Os6",
"formula_reduced": "TiSiOs",
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"spacegroup": 46
},
{
"id": "jvasp-12680",
"created_at": "2022-09-04T14:36:52.325445Z",
"updated_at": "2022-09-04T14:36:52.325458Z",
"structure_string": "Ti2 Si4 O12\n1.0\n6.327398 0.018657 -1.655214\n-0.245640 6.322655 1.655214\n-0.000164 0.000158 5.354514\nTi Si O\n2 4 12\ndirect\n0.893116 0.893116 0.250000 Ti\n0.106885 0.106885 0.749999 Ti\n0.785688 0.382612 0.246804 Si\n0.617389 0.214313 0.746804 Si\n0.382612 0.785689 0.253195 Si\n0.214313 0.617389 0.753195 Si\n0.954207 0.186633 0.365390 O\n0.813369 0.045794 0.865390 O\n0.898745 0.619134 0.222070 O\n0.045794 0.813369 0.634609 O\n0.649848 0.366557 0.953125 O\n0.350154 0.633444 0.046874 O\n0.619134 0.898745 0.277929 O\n0.366557 0.649847 0.546874 O\n0.101256 0.380867 0.777929 O\n0.186632 0.954207 0.134609 O\n0.380867 0.101256 0.722070 O\n0.633444 0.350154 0.453125 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 3.100959189202729,
"density_atomic": 0.08402040579701794,
"volume": 214.23367132367332,
"volume_molar": 7.167474023570756,
"formula_full": "Ti2 Si4 O12",
"formula_reduced": "Ti(SiO3)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 15
},
{
"id": "jvasp-98990",
"created_at": "2022-09-04T14:35:56.248150Z",
"updated_at": "2022-09-04T14:35:56.248176Z",
"structure_string": "Ti8 Si14 Ni8\n1.0\n4.797573 -0.000007 1.336673\n2.398778 8.930420 0.668319\n0.001911 -0.000018 9.271093\nTi Si Ni\n8 14 8\ndirect\n0.310245 0.189756 0.189756 Ti\n0.500000 0.810242 0.189758 Ti\n0.865959 0.268086 -0.000001 Ti\n0.134041 0.731914 0.000001 Ti\n0.865959 -0.000001 0.268086 Ti\n0.689755 0.810244 0.810244 Ti\n0.500000 0.189757 0.810242 Ti\n0.134041 0.000001 0.731913 Ti\n0.714072 0.285935 0.285935 Si\n0.906413 0.593579 0.593580 Si\n0.500000 0.406420 0.593580 Si\n0.750857 -0.000000 -0.000000 Si\n0.093587 0.406420 0.406420 Si\n0.285928 0.714065 0.714065 Si\n0.500000 0.593580 0.406420 Si\n0.296222 0.407559 -0.000002 Si\n0.703778 0.592441 0.000001 Si\n0.703778 0.000001 0.592440 Si\n0.000000 0.285938 0.714062 Si\n0.000000 0.714062 0.285938 Si\n0.249143 -0.000000 -0.000000 Si\n0.296222 -0.000002 0.407559 Si\n0.398709 0.499992 0.202642 Ni\n0.101292 0.797358 0.500005 Ni\n0.398709 0.202642 0.499992 Ni\n0.601291 0.500007 0.797358 Ni\n0.101292 0.500005 0.797358 Ni\n0.898708 0.202641 0.499994 Ni\n0.601291 0.797358 0.500007 Ni\n0.898708 0.499994 0.202642 Ni\n",
"nsites": 30,
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"elements": [
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"density": 5.207820621888525,
"density_atomic": 0.07553037011108038,
"volume": 397.19122196647317,
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"formula_full": "Ti8 Si14 Ni8",
"formula_reduced": "Ti4Si7Ni4",
"formula_anonymous": "A4B4C7",
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"spacegroup": 139
},
{
"id": "jvasp-26997",
"created_at": "2022-09-04T14:38:19.609250Z",
"updated_at": "2022-09-04T14:38:19.609277Z",
"structure_string": "Ti4 Si4 Ni4\n1.0\n3.674759 -0.000000 0.000000\n-0.000000 6.175545 0.000000\n0.000000 0.000000 7.039092\nTi Si Ni\n4 4 4\ndirect\n0.750000 0.977116 0.818273 Ti\n0.250000 0.022883 0.181727 Ti\n0.750000 0.477116 0.681727 Ti\n0.250000 0.522883 0.318273 Ti\n0.750000 0.234666 0.378802 Si\n0.250000 0.765333 0.621198 Si\n0.750000 0.734666 0.121198 Si\n0.250000 0.265334 0.878802 Si\n0.750000 0.858410 0.438987 Ni\n0.250000 0.141589 0.561012 Ni\n0.750000 0.358411 0.061013 Ni\n0.250000 0.641588 0.938987 Ni\n",
"nsites": 12,
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"elements": [
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"Si",
"Ni"
],
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"density": 5.598625630964418,
"density_atomic": 0.07512084279698744,
"volume": 159.74261673860286,
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"formula_full": "Ti4 Si4 Ni4",
"formula_reduced": "TiSiNi",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-110975",
"created_at": "2022-09-04T14:38:38.430729Z",
"updated_at": "2022-09-04T14:38:38.430757Z",
"structure_string": "Ti1 Si6 Mo2\n1.0\n4.706926 -0.006391 0.000000\n-2.327847 4.091006 0.000000\n0.000000 0.000000 6.503185\nTi Si Mo\n1 6 2\ndirect\n0.500000 0.500001 0.500000 Ti\n0.157145 0.842856 0.500000 Si\n0.161575 0.327023 0.168110 Si\n0.672977 0.838426 0.831891 Si\n0.842856 0.157145 0.500000 Si\n0.838425 0.672978 0.168110 Si\n0.327023 0.161576 0.831891 Si\n0.500000 0.000000 0.168225 Mo\n-0.000000 0.500001 0.831776 Mo\n",
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],
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"density": 5.417862754289876,
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"volume": 125.12898721794458,
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"formula_full": "Ti1 Si6 Mo2",
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"formula_anonymous": "AB2C6",
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"spacegroup": 21
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{
"id": "jvasp-99920",
"created_at": "2022-09-04T14:36:45.459618Z",
"updated_at": "2022-09-04T14:36:45.459651Z",
"structure_string": "Ti2 Si6 Mo1\n1.0\n4.748734 0.000684 0.000000\n-2.381744 4.108256 0.000000\n0.000000 0.000000 6.550207\nTi Si Mo\n2 6 1\ndirect\n0.499999 -0.000001 0.665952 Ti\n0.000001 0.500000 0.334049 Ti\n0.166705 0.833297 0.000000 Si\n0.157173 0.317256 0.667494 Si\n0.682744 0.842827 0.332506 Si\n0.833296 0.166703 0.000000 Si\n0.842827 0.682744 0.667494 Si\n0.317256 0.157173 0.332506 Si\n0.500000 0.500000 0.000000 Mo\n",
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"volume": 127.7987573015606,
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"spacegroup": 21
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{
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"created_at": "2022-09-04T14:38:55.386022Z",
"updated_at": "2022-09-04T14:38:55.386048Z",
"structure_string": "Ti4 Si4 Ir4\n1.0\n3.881154 0.000000 0.000000\n0.000000 6.279230 0.000000\n0.000000 0.000000 7.256737\nTi Si Ir\n4 4 4\ndirect\n0.250000 0.023255 0.820384 Ti\n0.250000 0.523255 0.679617 Ti\n0.749999 0.976745 0.179617 Ti\n0.749999 0.476745 0.320384 Ti\n0.250000 0.771217 0.376629 Si\n0.250000 0.271217 0.123371 Si\n0.749999 0.228783 0.623371 Si\n0.749999 0.728783 0.876629 Si\n0.250000 0.157419 0.437911 Ir\n0.250000 0.657419 0.062089 Ir\n0.749999 0.842581 0.562089 Ir\n0.749999 0.342581 0.937911 Ir\n",
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],
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"volume": 176.85146020499488,
"volume_molar": 8.875203224716815,
"formula_full": "Ti4 Si4 Ir4",
"formula_reduced": "TiSiIr",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-21075",
"created_at": "2022-09-04T14:38:31.973976Z",
"updated_at": "2022-09-04T14:38:31.974002Z",
"structure_string": "Ti6 Si2 C4\n1.0\n1.541004 -2.669097 0.000000\n1.541004 2.669097 -0.000000\n-0.000000 -0.000000 17.744057\nTi Si C\n6 2 4\ndirect\n0.666666 0.333332 0.634854 Ti\n0.333332 0.666666 0.134854 Ti\n0.333332 0.666666 0.365146 Ti\n0.666666 0.333332 0.865146 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.250000 Si\n0.000000 0.000000 0.750000 Si\n0.333332 0.666666 0.572379 C\n0.666666 0.333332 0.072379 C\n0.333332 0.666666 0.927621 C\n0.666666 0.333332 0.427621 C\n",
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"elements": [
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],
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"density_atomic": 0.08221105156112114,
"volume": 145.96577676759682,
"volume_molar": 7.325220448643384,
"formula_full": "Ti6 Si2 C4",
"formula_reduced": "Ti3SiC2",
"formula_anonymous": "AB2C3",
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"spacegroup": 194
}
]
}