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{
"id": "jvasp-19958",
"created_at": "2022-09-04T14:37:33.910310Z",
"updated_at": "2022-09-04T14:37:33.910341Z",
"structure_string": "Th1 Sb1\n1.0\n3.904314 -0.000000 2.254157\n1.301438 3.681022 2.254157\n0.000000 0.000000 4.508313\nTh Sb\n1 1\ndirect\n0.500000 0.500000 0.500001 Th\n0.000000 0.000000 0.000000 Sb\n",
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{
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"created_at": "2022-09-04T14:36:21.655780Z",
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"structure_string": "Th2 Sb4\n1.0\n4.420824 0.000000 -0.000000\n0.000000 4.420824 0.000000\n-0.000000 0.000000 9.212310\nTh Sb\n2 4\ndirect\n0.000000 0.500000 0.276097 Th\n0.500000 0.000000 0.723903 Th\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.633695 Sb\n0.500000 0.000000 0.366305 Sb\n",
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{
"id": "jvasp-20423",
"created_at": "2022-09-04T14:38:35.608808Z",
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"structure_string": "Th1 Se1\n1.0\n3.647212 -0.000000 2.105720\n1.215737 3.438625 2.105720\n0.000000 0.000000 4.211438\nTh Se\n1 1\ndirect\n0.500000 0.500001 0.500000 Th\n0.000000 0.000000 0.000000 Se\n",
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"spacegroup": 225
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{
"id": "jvasp-20611",
"created_at": "2022-09-04T14:37:30.309720Z",
"updated_at": "2022-09-04T14:37:30.309762Z",
"structure_string": "Th1 Se1\n1.0\n3.647212 -0.000000 2.105719\n1.215737 3.438625 2.105719\n0.000000 0.000000 4.211438\nTh Se\n1 1\ndirect\n0.500000 0.500001 0.500000 Th\n0.000000 0.000000 0.000000 Se\n",
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"formula_full": "Th1 Se1",
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"spacegroup": 225
},
{
"id": "jvasp-16287",
"created_at": "2022-09-04T14:37:56.063717Z",
"updated_at": "2022-09-04T14:37:56.063747Z",
"structure_string": "Th1 Se1\n1.0\n3.671932 0.000000 -0.000000\n-0.000000 3.671932 -0.000000\n0.000000 0.000000 3.671932\nTh Se\n1 1\ndirect\n0.500000 0.500000 0.500000 Th\n0.000000 0.000000 0.000000 Se\n",
"nsites": 2,
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"volume": 49.508969847801666,
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"spacegroup": 221
},
{
"id": "jvasp-123716",
"created_at": "2022-09-04T14:38:53.056918Z",
"updated_at": "2022-09-04T14:38:53.056942Z",
"structure_string": "Th1 Se2\n1.0\n2.167546 -3.754440 -0.006592\n2.167669 3.754511 0.000000\n0.008927 -0.005154 6.169523\nTh Se\n1 2\ndirect\n0.000000 0.333319 0.166667 Th\n0.666674 0.666679 0.414097 Se\n0.333327 0.000005 0.919236 Se\n",
"nsites": 3,
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"volume": 100.41827966436986,
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"spacegroup": 164
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{
"id": "jvasp-10194",
"created_at": "2022-09-04T14:38:06.501987Z",
"updated_at": "2022-09-04T14:38:06.502011Z",
"structure_string": "Th4 Se8\n1.0\n4.431631 0.000000 0.000000\n-0.000000 7.644534 0.000000\n0.000000 0.000000 9.141333\nTh Se\n4 8\ndirect\n0.250000 0.252655 0.623038 Th\n0.750000 0.747344 0.376961 Th\n0.250000 0.752655 0.876961 Th\n0.750000 0.247345 0.123038 Th\n0.250000 0.029168 0.335675 Se\n0.750000 0.970832 0.664325 Se\n0.250000 0.529168 0.164325 Se\n0.750000 0.470832 0.835675 Se\n0.750000 0.359164 0.430156 Se\n0.250000 0.640835 0.569843 Se\n0.750000 0.859164 0.069843 Se\n0.250000 0.140835 0.930156 Se\n",
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"density": 8.363784840633565,
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"volume": 309.6878292801682,
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"formula_full": "Th4 Se8",
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"spacegroup": 62
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{
"id": "jvasp-91556",
"created_at": "2022-09-04T14:36:01.084949Z",
"updated_at": "2022-09-04T14:36:01.084978Z",
"structure_string": "Th2 Se6\n1.0\n0.000000 -4.244832 0.000000\n-5.776561 0.000000 0.008038\n-1.209371 0.000000 -9.601324\nTh Se\n2 6\ndirect\n0.750000 0.282890 0.341192 Th\n0.250000 0.717110 0.658807 Th\n0.750000 0.763772 0.438511 Se\n0.250000 0.236228 0.561488 Se\n0.750000 0.463768 0.832596 Se\n0.250000 0.536232 0.167404 Se\n0.750000 0.877700 0.844272 Se\n0.250000 0.122299 0.155728 Se\n",
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"formula_full": "Th2 Se6",
"formula_reduced": "ThSe3",
"formula_anonymous": "AB3",
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"spacegroup": 11
},
{
"id": "jvasp-18017",
"created_at": "2022-09-04T14:38:16.619463Z",
"updated_at": "2022-09-04T14:38:16.619487Z",
"structure_string": "Th4 Si4\n1.0\n4.195734 -0.000000 0.000000\n-0.000000 5.930512 0.000000\n0.000000 0.000000 7.959194\nTh Si\n4 4\ndirect\n0.250000 0.125442 0.179938 Th\n0.749999 0.874557 0.820061 Th\n0.749999 0.625442 0.320062 Th\n0.250000 0.374557 0.679938 Th\n0.250000 0.632334 0.039623 Si\n0.749999 0.367665 0.960377 Si\n0.749999 0.132334 0.460377 Si\n0.250000 0.867665 0.539623 Si\n",
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"elements": [
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"formula_full": "Th4 Si4",
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"formula_anonymous": "AB",
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"spacegroup": 62
},
{
"id": "jvasp-13887",
"created_at": "2022-09-04T14:36:17.045101Z",
"updated_at": "2022-09-04T14:36:17.045126Z",
"structure_string": "Th6 Si4\n1.0\n9.495840 0.000000 -0.000000\n0.000000 9.495840 -0.000000\n0.000000 0.000000 3.398004\nTh Si\n6 4\ndirect\n0.793194 0.706806 0.499999 Th\n0.293194 0.793194 0.499999 Th\n0.206806 0.293194 0.499999 Th\n0.706806 0.206806 0.499999 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Th\n0.084966 0.584966 0.499999 Si\n0.584966 0.915034 0.499999 Si\n0.415034 0.084966 0.499999 Si\n0.915034 0.415034 0.499999 Si\n",
"nsites": 10,
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{
"id": "jvasp-15816",
"created_at": "2022-09-04T14:36:16.860327Z",
"updated_at": "2022-09-04T14:36:16.860352Z",
"structure_string": "Th1 Si2\n1.0\n2.084033 -3.609652 0.000000\n2.084033 3.609652 -0.000000\n-0.000000 -0.000000 4.167952\nTh Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.666666 0.333332 0.500000 Si\n0.333332 0.666666 0.500000 Si\n",
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},
{
"id": "jvasp-15081",
"created_at": "2022-09-04T14:35:44.213333Z",
"updated_at": "2022-09-04T14:35:44.213355Z",
"structure_string": "Th2 Si4\n1.0\n4.000534 0.000000 -1.105755\n-0.305632 3.988842 -1.105755\n0.022904 0.024726 7.872552\nTh Si\n2 4\ndirect\n0.124999 0.375000 0.750000 Th\n0.874999 0.625000 0.250001 Th\n0.541892 0.791892 0.583785 Si\n0.291892 0.041892 0.083785 Si\n0.458107 0.208108 0.416216 Si\n0.708107 0.958108 0.916216 Si\n",
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"formula_full": "Th2 Si4",
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}