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{
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{
"id": "jvasp-102174",
"created_at": "2022-09-04T14:36:59.553193Z",
"updated_at": "2022-09-04T14:36:59.553209Z",
"structure_string": "Ti3 S2\n1.0\n4.342348 0.002028 1.243027\n0.937673 4.239901 1.243027\n0.002524 0.002028 4.516758\nTi S\n3 2\ndirect\n-0.000001 0.337027 0.662974 Ti\n0.337026 0.662973 0.000001 Ti\n0.662973 0.000000 0.337027 Ti\n0.832302 0.832304 0.832305 S\n0.167696 0.167697 0.167697 S\n",
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{
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{
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{
"id": "jvasp-35522",
"created_at": "2022-09-04T14:37:46.844750Z",
"updated_at": "2022-09-04T14:37:46.844766Z",
"structure_string": "Ti2 V1 S4\n1.0\n0.000000 3.377239 0.000000\n0.005111 0.000000 5.995608\n5.791335 -1.688620 -2.942066\nTi V S\n2 1 4\ndirect\n0.255432 0.277603 0.510863 Ti\n0.744569 0.722397 0.489138 Ti\n0.000000 0.000000 0.000000 V\n0.117073 0.447255 0.234146 S\n0.882927 0.552745 0.765855 S\n0.372044 0.036094 0.744088 S\n0.627957 0.963906 0.255913 S\n",
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"spacegroup": 12
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{
"id": "jvasp-110534",
"created_at": "2022-09-04T14:38:39.066371Z",
"updated_at": "2022-09-04T14:38:39.066402Z",
"structure_string": "Ti3 V1 S6\n1.0\n5.237318 -0.061451 3.956041\n1.935200 4.867061 3.956041\n-0.091717 -0.061451 6.562877\nTi V S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.334033 0.334033 0.334033 Ti\n0.665967 0.665967 0.665967 Ti\n0.500000 0.500000 0.500000 V\n0.914114 0.581343 0.244106 S\n0.581343 0.244106 0.914115 S\n0.244106 0.914114 0.581344 S\n0.755894 0.085886 0.418657 S\n0.418657 0.755894 0.085886 S\n0.085886 0.418657 0.755895 S\n",
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{
"id": "jvasp-106709",
"created_at": "2022-09-04T14:36:59.383828Z",
"updated_at": "2022-09-04T14:36:59.383851Z",
"structure_string": "Ti2 V2 S4\n1.0\n3.323915 -0.000000 0.000000\n0.000000 5.844953 0.000000\n0.000000 -0.000000 6.002403\nTi V S\n2 2 4\ndirect\n-0.000000 0.058349 0.509026 Ti\n-0.000000 0.941651 0.009026 Ti\n0.500001 0.442349 0.485943 V\n0.500001 0.557651 0.985942 V\n-0.000000 0.663799 0.719719 S\n-0.000000 0.336201 0.219719 S\n0.500001 0.822165 0.285312 S\n0.500001 0.177834 0.785311 S\n",
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{
"id": "jvasp-59881",
"created_at": "2022-09-04T14:37:04.350260Z",
"updated_at": "2022-09-04T14:37:04.350286Z",
"structure_string": "Y2 Ti4 S8\n1.0\n6.701584 0.000000 -3.518416\n-1.847214 6.441974 -3.518416\n-0.306196 -0.406337 7.558298\nY Ti S\n2 4 8\ndirect\n0.375000 0.625000 0.749999 Y\n0.624999 0.375000 0.249999 Y\n0.000000 0.500001 0.000001 Ti\n0.000001 -0.000000 0.500000 Ti\n0.500000 -0.000000 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.763890 0.791038 0.527781 S\n0.763256 0.236110 0.972219 S\n0.208962 0.236110 0.972218 S\n0.236109 0.208961 0.472218 S\n0.236109 0.763256 0.472217 S\n0.236743 0.763890 0.027782 S\n0.763889 0.236742 0.527780 S\n0.791037 0.763890 0.027780 S\n",
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"density_atomic": 0.04558173976833274,
"volume": 307.1405363453525,
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"formula_full": "Y2 Ti4 S8",
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{
"id": "jvasp-11048",
"created_at": "2022-09-04T14:37:28.232872Z",
"updated_at": "2022-09-04T14:37:28.232898Z",
"structure_string": "Ti4 Zn1 S8\n1.0\n6.963072 0.039113 0.027656\n3.515408 6.088865 0.000000\n3.515408 2.029622 5.740638\nTi Zn S\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Ti\n0.500000 0.499999 0.000000 Ti\n0.500000 0.499999 0.500001 Ti\n0.500000 -0.000001 0.500001 Ti\n0.500000 -0.000000 0.000000 Zn\n0.251190 0.252204 0.252205 S\n0.251190 0.252204 0.744402 S\n0.251190 0.744401 0.252205 S\n0.742099 0.252633 0.252634 S\n0.257902 0.747365 0.747367 S\n0.748811 0.747794 0.255599 S\n0.748811 0.255597 0.747796 S\n0.748811 0.747794 0.747796 S\n",
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{
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"created_at": "2022-09-04T14:37:56.145613Z",
"updated_at": "2022-09-04T14:37:56.145639Z",
"structure_string": "Ti4 Zn2 S8\n1.0\n6.353206 0.000000 -3.335515\n-1.751187 6.107093 -3.335515\n-0.293397 -0.389352 7.159445\nTi Zn S\n4 2 8\ndirect\n-0.000000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500001 Ti\n0.000000 0.000000 0.000000 Ti\n0.375000 0.625000 0.750001 Zn\n0.625000 0.375000 0.250001 Zn\n0.756410 0.769171 0.512823 S\n0.756351 0.243590 0.987179 S\n0.230829 0.243590 0.987179 S\n0.243589 0.230829 0.487179 S\n0.243589 0.756351 0.487179 S\n0.243649 0.756410 0.012822 S\n0.756411 0.243649 0.512823 S\n0.769171 0.756410 0.012823 S\n",
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{
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"created_at": "2022-09-04T14:38:36.784809Z",
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"structure_string": "Ti4 Zn2 S8\n1.0\n7.051031 -0.024921 -0.003800\n-0.110139 7.050314 -0.000768\n-3.512181 -3.468476 5.035844\nTi Zn S\n4 2 8\ndirect\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 0.499999 0.499999 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 -0.000000 0.500000 Zn\n0.240776 0.249131 0.991639 S\n0.249295 0.743887 0.994563 S\n0.757480 0.249146 0.508370 S\n0.750682 0.745247 0.494560 S\n0.242519 0.750852 0.491629 S\n0.750704 0.256111 0.005436 S\n0.249317 0.254752 0.505439 S\n0.759223 0.750868 0.008360 S\n",
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{
"id": "jvasp-101617",
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"structure_string": "Tl6 S2\n1.0\n6.835666 -0.000000 0.000000\n-3.417833 5.919860 0.000000\n0.000000 0.000000 5.556977\nTl S\n6 2\ndirect\n0.172425 0.344850 0.250000 Tl\n0.655151 0.827575 0.250000 Tl\n0.172425 0.827575 0.250000 Tl\n0.827576 0.655150 0.750000 Tl\n0.344850 0.172425 0.750000 Tl\n0.827576 0.172425 0.750000 Tl\n0.333334 0.666667 0.750000 S\n0.666667 0.333333 0.250000 S\n",
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{
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"structure_string": "Tl6 S1\n1.0\n-6.016139 0.000172 0.001205\n-0.001340 -6.479860 -0.007674\n0.002770 3.233986 5.616140\nTl S\n6 1\ndirect\n0.989700 0.333190 0.036410 Tl\n0.468151 0.333402 0.296270 Tl\n0.467433 0.703071 0.035364 Tl\n0.989577 0.703724 0.665749 Tl\n0.467803 0.963760 0.665621 Tl\n0.989015 0.962849 0.295404 Tl\n0.729612 0.333616 0.666275 S\n",
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"spacegroup": 162
}
]
}