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{
"id": "jvasp-53419",
"created_at": "2022-09-04T14:38:13.264448Z",
"updated_at": "2022-09-04T14:38:13.264483Z",
"structure_string": "Sr4 U4 S8\n1.0\n9.109587 -0.000000 -0.497356\n-5.838602 5.665512 -4.128515\n2.567617 0.000000 8.754385\nSr U S\n4 4 8\ndirect\n0.140576 0.890575 0.249999 Sr\n0.250000 0.109424 0.859425 Sr\n0.359425 0.609424 0.750000 Sr\n0.750000 0.390575 0.640575 Sr\n0.250000 0.590393 0.340393 U\n0.750001 0.909606 0.159606 U\n0.659607 0.409606 0.250000 U\n0.840394 0.090394 0.750000 U\n0.013707 0.708644 0.468999 S\n0.969000 0.208645 0.513706 S\n0.305062 0.291355 0.260355 S\n0.194938 0.455292 0.986293 S\n0.760355 0.791355 0.805062 S\n0.486294 0.955292 0.694937 S\n0.531001 0.044707 0.239645 S\n0.739646 0.544707 0.031000 S\n",
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{
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"structure_string": "Sr1 S1\n1.0\n3.691798 0.000000 2.131461\n1.230599 3.480661 2.131461\n0.000000 0.000000 4.262922\nSr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.499999 S\n",
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{
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"structure_string": "Sr2 S6\n1.0\n5.400052 -0.006317 0.000000\n-0.677942 5.357331 0.000000\n0.000000 -0.000000 6.875470\nSr S\n2 6\ndirect\n0.001216 0.001216 0.000000 Sr\n0.501216 0.501215 0.500000 Sr\n0.537018 0.537017 0.000000 S\n0.037018 0.037018 0.500000 S\n0.191290 0.526577 0.859177 S\n0.526577 0.191289 0.140823 S\n0.691289 0.026577 0.640823 S\n0.026577 0.691289 0.359177 S\n",
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"spacegroup": 41
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{
"id": "jvasp-7902",
"created_at": "2022-09-04T14:37:05.160802Z",
"updated_at": "2022-09-04T14:37:05.160823Z",
"structure_string": "Sr2 S4\n1.0\n5.189528 0.005304 -2.539649\n-3.170575 4.779208 -0.698330\n0.003519 -0.005304 5.777630\nSr S\n2 4\ndirect\n-0.000000 0.750001 0.750000 Sr\n-0.000000 0.250000 0.250000 Sr\n0.253914 0.376957 0.876957 S\n0.500000 0.876957 0.623043 S\n0.746086 0.623043 0.123043 S\n0.500000 0.123043 0.376957 S\n",
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{
"id": "jvasp-78461",
"created_at": "2022-09-04T14:36:32.472216Z",
"updated_at": "2022-09-04T14:36:32.472253Z",
"structure_string": "Sr1 S1\n1.0\n-3.014341 -3.014341 0.000000\n-3.014341 -0.000000 -3.014341\n0.000000 -3.014341 -3.014341\nSr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 S\n",
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{
"id": "jvasp-7663",
"created_at": "2022-09-04T14:37:05.088219Z",
"updated_at": "2022-09-04T14:37:05.088241Z",
"structure_string": "Sr1 S1\n1.0\n3.644661 0.000000 0.000000\n-0.000000 3.644661 -0.000000\n0.000000 0.000000 3.644661\nSr S\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
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"elements": [
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{
"id": "jvasp-10136",
"created_at": "2022-09-04T14:36:52.400582Z",
"updated_at": "2022-09-04T14:36:52.400606Z",
"structure_string": "Tl4 Sn4 S10\n1.0\n6.584469 0.024624 1.769976\n2.004383 6.272024 1.769976\n-0.051172 -0.037516 11.663986\nTl Sn S\n4 4 10\ndirect\n0.548703 0.892460 0.683140 Tl\n0.451298 0.107538 0.316861 Tl\n0.892461 0.548701 0.183140 Tl\n0.107539 0.451297 0.816861 Tl\n0.748717 0.064864 0.940689 Sn\n0.935135 0.251283 0.559312 Sn\n0.251284 0.935134 0.059312 Sn\n0.064865 0.748715 0.440689 Sn\n0.743776 0.648889 0.460002 S\n0.672275 0.327725 0.750001 S\n0.256225 0.351109 0.540000 S\n0.152861 0.876256 0.882777 S\n0.123743 0.847139 0.617225 S\n0.847140 0.123742 0.117225 S\n0.876258 0.152859 0.382776 S\n0.327726 0.672273 0.250001 S\n0.648891 0.743774 0.960002 S\n0.351110 0.256224 0.039999 S\n",
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"elements": [
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"chemical_system": "S-Sn-Tl",
"density": 5.5571101585970775,
"density_atomic": 0.037344942893464024,
"volume": 481.9929716146465,
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"formula_full": "Tl4 Sn4 S10",
"formula_reduced": "Tl2Sn2S5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 15
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{
"id": "jvasp-4645",
"created_at": "2022-09-04T14:38:36.838031Z",
"updated_at": "2022-09-04T14:38:36.838053Z",
"structure_string": "Tl16 Sn4 S12\n1.0\n8.125856 0.000000 0.000000\n0.000000 8.125856 0.000000\n0.000000 0.000000 13.656656\nTl Sn S\n16 4 12\ndirect\n0.145966 0.155633 0.602367 Tl\n0.854034 0.155633 0.102367 Tl\n0.145966 0.844367 0.102367 Tl\n0.155633 0.854034 0.397633 Tl\n0.844367 0.145966 0.397633 Tl\n0.344367 0.354034 0.102367 Tl\n0.645966 0.655634 0.397633 Tl\n0.354034 0.344367 0.397633 Tl\n0.655634 0.645966 0.102367 Tl\n0.645966 0.344367 0.897634 Tl\n0.354034 0.655634 0.897634 Tl\n0.344367 0.645966 0.602367 Tl\n0.655634 0.354034 0.602367 Tl\n0.155633 0.145966 0.897634 Tl\n0.854034 0.844367 0.602367 Tl\n0.844367 0.854034 0.897634 Tl\n0.500000 0.000000 0.743406 Sn\n0.000000 0.500000 0.756594 Sn\n0.000000 0.500000 0.256594 Sn\n0.500000 0.000000 0.243406 Sn\n0.000000 0.500000 0.570054 S\n0.666631 0.333370 0.250000 S\n0.500000 0.000000 0.429946 S\n0.166631 0.166631 0.250000 S\n0.833370 0.833370 0.250000 S\n0.166631 0.833370 0.750000 S\n0.833370 0.166631 0.750000 S\n0.333370 0.333370 0.750000 S\n0.666631 0.666631 0.750000 S\n0.000000 0.500000 0.070054 S\n0.333370 0.666631 0.250000 S\n0.500000 0.000000 0.929946 S\n",
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"formula_full": "Tl16 Sn4 S12",
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{
"id": "jvasp-14125",
"created_at": "2022-09-04T14:38:06.324547Z",
"updated_at": "2022-09-04T14:38:06.324566Z",
"structure_string": "Tl4 Sn4 S6\n1.0\n6.926577 -0.076438 -1.786424\n-0.937059 6.991191 -3.932442\n-0.052392 -0.024884 8.260666\nTl Sn S\n4 4 6\ndirect\n0.507117 0.225874 0.239423 Tl\n0.992884 0.986451 0.760578 Tl\n0.492884 0.774126 0.760578 Tl\n0.007116 0.013549 0.239423 Tl\n0.467593 0.748593 0.240268 Sn\n0.032407 0.508327 0.759734 Sn\n0.532408 0.251407 0.759734 Sn\n0.967593 0.491674 0.240268 Sn\n0.695100 0.637628 0.453249 S\n0.804901 0.184381 0.546752 S\n0.304900 0.362372 0.546752 S\n0.195100 0.815619 0.453249 S\n0.750000 0.589695 0.000000 S\n0.250000 0.410305 0.000000 S\n",
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"volume": 398.041714165767,
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"formula_full": "Tl4 Sn4 S6",
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"formula_anonymous": "A2B2C3",
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{
"id": "jvasp-34443",
"created_at": "2022-09-04T14:38:14.433463Z",
"updated_at": "2022-09-04T14:38:14.433487Z",
"structure_string": "Tb4 Sn2 S10\n1.0\n3.822849 0.000000 0.000000\n0.000000 7.735219 0.000000\n0.000000 -0.000000 11.404849\nTb Sn S\n4 2 10\ndirect\n0.500000 0.971587 0.327239 Tb\n0.500000 0.471587 0.172761 Tb\n0.500000 0.528413 0.827239 Tb\n0.500000 0.028413 0.672761 Tb\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.670513 0.598142 S\n0.000000 0.178309 0.195506 S\n0.500000 0.170513 0.901858 S\n0.000000 0.000000 0.500000 S\n0.500000 0.829487 0.098142 S\n0.000000 0.678310 0.304494 S\n0.000000 0.321691 0.695506 S\n0.000000 0.821691 0.804494 S\n0.500000 0.329487 0.401858 S\n0.000000 0.500000 0.000000 S\n",
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"volume": 337.247933810201,
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"formula_full": "Tb4 Sn2 S10",
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{
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"created_at": "2022-09-04T14:36:40.085044Z",
"updated_at": "2022-09-04T14:36:40.085066Z",
"structure_string": "Ta2 Sn2 S4\n1.0\n1.671565 -2.895235 0.000000\n1.671565 2.895235 -0.000000\n0.000000 -0.000000 17.678477\nTa Sn S\n2 2 4\ndirect\n0.666666 0.333331 0.250000 Ta\n0.333331 0.666666 0.750000 Ta\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.661594 S\n0.000000 0.000000 0.161594 S\n0.000000 0.000000 0.838407 S\n0.000000 0.000000 0.338407 S\n",
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"formula_full": "Ta2 Sn2 S4",
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{
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"created_at": "2022-09-04T14:38:35.067452Z",
"updated_at": "2022-09-04T14:38:35.067468Z",
"structure_string": "Ta6 Sn2 S12\n1.0\n2.903193 -5.028479 0.000000\n2.903193 5.028479 -0.000000\n0.000000 -0.000000 14.645955\nTa Sn S\n6 2 12\ndirect\n0.333332 0.666667 0.250000 Ta\n0.666667 0.333332 0.750000 Ta\n0.666667 0.333332 0.250000 Ta\n0.333332 0.666667 0.750000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.336578 0.357017 S\n0.336578 0.336578 0.857016 S\n-0.000000 0.663421 0.857016 S\n-0.000000 0.663421 0.642983 S\n0.663421 -0.000000 0.642983 S\n-0.000000 0.336578 0.142983 S\n0.336578 0.336578 0.642983 S\n0.663421 0.663421 0.142983 S\n0.336578 -0.000000 0.357017 S\n0.336578 -0.000000 0.142983 S\n0.663421 0.663421 0.357017 S\n0.663421 -0.000000 0.857016 S\n",
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"volume": 427.6221964416765,
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"formula_full": "Ta6 Sn2 S12",
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"spacegroup": 193
}
]
}