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{
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{
"id": "jvasp-118042",
"created_at": "2022-09-04T14:38:53.881180Z",
"updated_at": "2022-09-04T14:38:53.881199Z",
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{
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{
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"structure_string": "Te2 Os1 Cl12\n1.0\n6.433719 -0.051986 0.037937\n3.061966 6.158972 0.082355\n2.703344 2.567148 10.138423\nTe Os Cl\n2 1 12\ndirect\n0.737809 0.748585 0.747642 Te\n0.262192 0.251414 0.252357 Te\n0.000000 0.000000 0.000000 Os\n0.030399 0.699881 0.562979 Cl\n0.969601 0.300119 0.437020 Cl\n0.557391 0.556518 0.693841 Cl\n0.403433 0.790702 0.989453 Cl\n0.596568 0.209298 0.010546 Cl\n-0.002079 0.027844 0.211327 Cl\n0.002079 0.972156 0.788672 Cl\n0.074927 0.327002 0.899632 Cl\n0.925074 0.672997 0.100368 Cl\n0.503651 0.890453 0.364395 Cl\n0.496350 0.109546 0.635605 Cl\n0.442610 0.443481 0.306158 Cl\n",
"nsites": 15,
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{
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"created_at": "2022-09-04T14:37:28.558580Z",
"updated_at": "2022-09-04T14:37:28.558602Z",
"structure_string": "Sm1 Pa3\n1.0\n4.749051 -0.000000 -0.000000\n-0.000000 4.749051 -0.000000\n0.000000 -0.000000 4.749051\nSm Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Pa\n0.500000 0.000000 0.500000 Pa\n0.500000 0.500000 0.000000 Pa\n",
"nsites": 4,
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},
{
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"created_at": "2022-09-04T14:38:08.899025Z",
"updated_at": "2022-09-04T14:38:08.899057Z",
"structure_string": "Pr2 Au2\n1.0\n-3.943000 0.000000 0.000000\n0.000000 0.000000 -4.786726\n-1.971500 -5.674888 0.000000\nPr Au\n2 2\ndirect\n0.136464 0.750001 0.727074 Pr\n0.863536 0.250000 0.272926 Pr\n0.411716 0.750001 0.176569 Au\n0.588284 0.250000 0.823432 Au\n",
"nsites": 4,
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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",
"nsites": 18,
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"elements": [
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],
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"density": 5.5571101585970775,
"density_atomic": 0.037344942893464024,
"volume": 481.9929716146465,
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"formula_full": "Tl4 Sn4 S10",
"formula_reduced": "Tl2Sn2S5",
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{
"id": "jvasp-99476",
"created_at": "2022-09-04T14:36:10.152917Z",
"updated_at": "2022-09-04T14:36:10.152941Z",
"structure_string": "K2 Li1 Tb1 Cl6\n1.0\n6.265550 -0.000000 3.617417\n2.088517 5.907217 3.617417\n-0.000000 -0.000000 7.234834\nTb K Li Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.743998 0.256002 0.256002 Cl\n0.256002 0.256002 0.743998 Cl\n0.256002 0.743998 0.743998 Cl\n0.256002 0.743998 0.256002 Cl\n0.743998 0.256002 0.743998 Cl\n0.743998 0.743998 0.256002 Cl\n",
"nsites": 10,
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"volume": 267.77541175098554,
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"formula_full": "K2 Li1 Tb1 Cl6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-61319",
"created_at": "2022-09-04T14:35:43.412922Z",
"updated_at": "2022-09-04T14:35:43.412956Z",
"structure_string": "Te2 Au1\n1.0\n2.109027 -3.652943 0.000000\n2.109027 3.652943 -0.000000\n-0.000000 -0.000000 5.213597\nTe Au\n2 1\ndirect\n0.666667 0.333334 0.711043 Te\n0.333334 0.666667 0.288957 Te\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
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"elements": [
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"formula_full": "Te2 Au1",
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},
{
"id": "jvasp-120960",
"created_at": "2022-09-04T14:38:49.782333Z",
"updated_at": "2022-09-04T14:38:49.782353Z",
"structure_string": "Cd1 In1 Se1\n1.0\n8.366464 2.559470 0.000000\n1.855258 3.636260 0.000000\n0.000000 0.000000 3.128958\nCd In Se\n1 1 1\ndirect\n0.449677 0.129548 0.000000 Cd\n-0.185214 0.079825 0.000000 In\n0.138126 0.096335 0.000000 Se\n",
"nsites": 3,
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},
{
"id": "jvasp-3657",
"created_at": "2022-09-04T14:35:56.937736Z",
"updated_at": "2022-09-04T14:35:56.937746Z",
"structure_string": "Rb2 Pt1 Cl6\n1.0\n6.049393 -0.000000 3.492619\n2.016464 5.703423 3.492619\n-0.000000 -0.000000 6.985237\nRb Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pt\n0.238153 0.761846 0.761848 Cl\n0.238153 0.761846 0.238154 Cl\n0.761846 0.238153 0.761848 Cl\n0.761846 0.238153 0.238154 Cl\n0.761846 0.761846 0.238154 Cl\n0.238153 0.238153 0.761847 Cl\n",
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{
"id": "jvasp-63383",
"created_at": "2022-09-04T14:36:19.099263Z",
"updated_at": "2022-09-04T14:36:19.099280Z",
"structure_string": "Te2 Au1\n1.0\n2.109011 -3.652914 -0.000000\n2.109011 3.652914 0.000000\n-0.000000 0.000000 5.213865\nTe Au\n2 1\ndirect\n0.666667 0.333333 0.288918 Te\n0.333333 0.666667 0.711081 Te\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-65793",
"created_at": "2022-09-04T14:35:47.196806Z",
"updated_at": "2022-09-04T14:35:47.196837Z",
"structure_string": "Ba1 Se2 Cl1\n1.0\n4.224771 -0.000000 0.000000\n0.000000 4.224771 -0.000000\n0.000000 0.000000 6.001255\nBa Se Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Se\n0.500000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Cl\n",
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