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{
"id": "jvasp-59100",
"created_at": "2022-09-04T14:38:18.131259Z",
"updated_at": "2022-09-04T14:38:18.131269Z",
"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.129097 0.322410\n6.447494 0.000000 0.000000\n0.000000 -6.359413 -10.784299\nLu P S\n4 4 16\ndirect\n0.561480 0.326035 0.166631 Lu\n0.438521 0.826034 0.333369 Lu\n0.438521 0.673965 0.833370 Lu\n0.561480 0.173965 0.666631 Lu\n0.702388 0.225655 0.967323 P\n0.297613 0.725654 0.532677 P\n0.297613 0.774345 0.032677 P\n0.702388 0.274345 0.467323 P\n0.244276 0.553948 0.130338 S\n0.755725 0.053949 0.369662 S\n0.735563 0.953389 0.892286 S\n0.264439 0.453389 0.607714 S\n0.264438 0.046610 0.107714 S\n0.735562 0.546610 0.392286 S\n0.876141 0.245409 0.157889 S\n0.411800 0.266982 0.910619 S\n0.123860 0.754590 0.842112 S\n0.876141 0.254590 0.657889 S\n0.244276 0.946051 0.630338 S\n0.588201 0.766982 0.589381 S\n0.588200 0.733017 0.089381 S\n0.411800 0.233017 0.410619 S\n0.123860 0.745409 0.342112 S\n0.755725 0.446051 0.869662 S\n",
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{
"id": "jvasp-21541",
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"updated_at": "2022-09-04T14:38:36.080675Z",
"structure_string": "Ba5 Mg18 Si13\n1.0\n7.286059 -12.619825 0.000000\n7.286059 12.619825 0.000000\n0.000000 0.000000 4.502571\nBa Mg Si\n5 18 13\ndirect\n0.180048 0.000000 0.500000 Ba\n0.819952 0.819952 0.500000 Ba\n0.000000 0.180048 0.500000 Ba\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.000000 Ba\n0.195325 0.373020 0.000000 Mg\n0.557823 0.000000 0.000000 Mg\n0.442177 0.442177 0.000000 Mg\n0.000000 0.557823 0.000000 Mg\n0.122209 0.483514 0.500000 Mg\n0.516487 0.638695 0.500000 Mg\n0.638695 0.516487 0.500000 Mg\n0.877792 0.361305 0.500000 Mg\n0.361305 0.877792 0.500000 Mg\n0.721902 0.000000 0.500000 Mg\n0.278098 0.278098 0.500000 Mg\n0.000000 0.721902 0.500000 Mg\n0.177694 0.804675 0.000000 Mg\n0.804675 0.177694 0.000000 Mg\n0.822306 0.626980 0.000000 Mg\n0.373020 0.195325 0.000000 Mg\n0.626980 0.822306 0.000000 Mg\n0.483514 0.122209 0.500000 Mg\n0.629285 0.629285 0.000000 Si\n0.000000 0.370715 0.000000 Si\n0.832692 0.000000 0.000000 Si\n0.167307 0.167307 0.000000 Si\n0.000000 0.832692 0.000000 Si\n0.833271 0.524866 0.500000 Si\n0.524866 0.833271 0.500000 Si\n0.308405 0.475134 0.500000 Si\n0.475134 0.308405 0.500000 Si\n0.166730 0.691595 0.500000 Si\n0.370715 0.000000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.691595 0.166730 0.500000 Si\n",
"nsites": 36,
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{
"id": "jvasp-14144",
"created_at": "2022-09-04T14:37:50.199381Z",
"updated_at": "2022-09-04T14:37:50.199401Z",
"structure_string": "Lu4 P4 S16\n1.0\n0.000000 8.128957 0.322207\n6.447472 0.000000 0.000000\n0.000000 -6.359142 -10.784139\nLu P S\n4 4 16\ndirect\n0.561474 0.326006 0.166631 Lu\n0.438526 0.826006 0.333369 Lu\n0.438527 0.673993 0.833369 Lu\n0.561474 0.173993 0.666631 Lu\n0.702379 0.225664 0.967320 P\n0.297622 0.725664 0.532680 P\n0.297622 0.774335 0.032680 P\n0.702379 0.274336 0.467320 P\n0.244287 0.553923 0.130335 S\n0.755713 0.053923 0.369665 S\n0.735561 0.953418 0.892282 S\n0.264439 0.453418 0.607718 S\n0.264439 0.046582 0.107717 S\n0.735561 0.546582 0.392282 S\n0.876121 0.245388 0.157884 S\n0.411798 0.266997 0.910615 S\n0.123880 0.754612 0.842115 S\n0.876121 0.254612 0.657884 S\n0.244287 0.946077 0.630335 S\n0.588203 0.766997 0.589385 S\n0.588203 0.733002 0.089385 S\n0.411798 0.233003 0.410615 S\n0.123879 0.745388 0.342115 S\n0.755713 0.446077 0.869665 S\n",
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{
"id": "jvasp-114653",
"created_at": "2022-09-04T14:38:42.541253Z",
"updated_at": "2022-09-04T14:38:42.541283Z",
"structure_string": "Ga1 Ag1 S1\n1.0\n4.686601 0.000000 0.000000\n-2.343301 4.058716 -0.000000\n-0.000000 -0.000000 3.627368\nGa Ag S\n1 1 1\ndirect\n0.333335 0.666668 0.000000 Ga\n0.000000 0.000000 0.000000 Ag\n0.666667 0.333334 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:38:19.036186Z",
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"structure_string": "Ca6 Sn2 S10\n1.0\n7.618995 0.000000 0.000000\n-0.000000 -7.618995 -0.000000\n-3.809497 3.809497 -7.131599\nCa Sn S\n6 2 10\ndirect\n0.749999 0.749999 0.500000 Ca\n0.250000 0.250000 0.500000 Ca\n0.337975 0.162025 0.000000 Ca\n0.662025 0.837974 0.000000 Ca\n0.162025 0.662025 0.000000 Ca\n0.837974 0.337975 0.000000 Ca\n0.250000 0.749999 0.500000 Sn\n0.749999 0.250000 0.500000 Sn\n0.024079 0.190096 0.714175 S\n0.690095 0.524079 0.714175 S\n0.809904 0.309904 0.285825 S\n0.475920 0.975920 0.285825 S\n0.500000 0.500000 0.000000 S\n0.309904 0.475920 0.285825 S\n0.000000 0.000000 0.000000 S\n0.524079 0.024079 0.714175 S\n0.975920 0.809904 0.285825 S\n0.190096 0.690095 0.714175 S\n",
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"density_atomic": 0.043480067793838485,
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"formula_full": "Ca6 Sn2 S10",
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"spacegroup": 140
},
{
"id": "jvasp-119051",
"created_at": "2022-09-04T14:38:51.479369Z",
"updated_at": "2022-09-04T14:38:51.479395Z",
"structure_string": "Nb8 Pt1 Se20\n1.0\n9.981286 -0.026062 2.866787\n9.385786 3.396139 2.866787\n0.170818 0.029724 19.585460\nNb Pt Se\n8 1 20\ndirect\n0.077720 0.077720 0.091587 Nb\n0.922281 0.922280 0.908414 Nb\n0.329966 0.329965 0.811251 Nb\n0.670035 0.670035 0.188749 Nb\n0.269883 0.269883 0.279525 Nb\n0.730118 0.730117 0.720475 Nb\n0.150336 0.150335 0.556529 Nb\n0.849665 0.849665 0.443472 Nb\n0.500000 0.500000 0.000000 Pt\n0.793069 0.793067 0.914867 Se\n0.206932 0.206932 0.085133 Se\n0.522573 0.522572 0.867964 Se\n0.477428 0.477428 0.132036 Se\n0.668791 0.668791 0.324102 Se\n0.331210 0.331209 0.675898 Se\n0.744483 0.744482 0.572440 Se\n0.255518 0.255517 0.427560 Se\n0.801655 0.801656 0.173934 Se\n0.861700 0.861701 0.300757 Se\n0.623020 0.623018 0.987884 Se\n0.376982 0.376982 0.012116 Se\n0.069452 0.069452 0.229068 Se\n0.138301 0.138299 0.699243 Se\n0.595956 0.595956 0.483196 Se\n0.404045 0.404044 0.516804 Se\n0.549316 0.549315 0.611446 Se\n0.450685 0.450684 0.388554 Se\n0.198346 0.198344 0.826066 Se\n0.930549 0.930548 0.770932 Se\n",
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{
"id": "jvasp-79398",
"created_at": "2022-09-04T14:37:13.644186Z",
"updated_at": "2022-09-04T14:37:13.644213Z",
"structure_string": "Tm2 Zn1 Hg1\n1.0\n-0.000126 3.582891 3.582891\n3.582891 -0.000126 3.582891\n3.582891 3.582891 -0.000126\nTm Zn Hg\n2 1 1\ndirect\n0.000004 0.000004 0.000004 Tm\n0.499994 0.499994 0.499994 Tm\n0.749998 0.749998 0.749998 Zn\n0.250004 0.250004 0.250004 Hg\n",
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},
{
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"structure_string": "Nb2 Cu2 Te4\n1.0\n0.000000 6.801869 0.009701\n3.855700 0.000000 0.000000\n0.000000 -2.245488 -7.018573\nNb Cu Te\n2 2 4\ndirect\n0.173835 0.750000 0.994337 Nb\n0.826165 0.250000 0.005663 Nb\n0.392933 0.750000 0.409620 Cu\n0.607066 0.250000 0.590380 Cu\n0.010215 0.250000 0.712447 Te\n0.494111 0.250000 0.205915 Te\n0.989784 0.750000 0.287553 Te\n0.505889 0.750000 0.794085 Te\n",
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{
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"created_at": "2022-09-04T14:38:48.948856Z",
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"structure_string": "Sm8 Cr2 S14\n1.0\n9.710486 -0.000000 0.000000\n-4.855243 8.409528 0.000000\n-0.000000 -0.000000 6.759058\nSm Cr S\n8 2 14\ndirect\n0.333334 0.666667 0.165947 Sm\n0.666667 0.333333 0.665947 Sm\n0.376475 0.214264 0.214039 Sm\n0.785736 0.162211 0.214039 Sm\n0.623526 0.785736 0.714039 Sm\n0.837790 0.623525 0.214039 Sm\n0.214264 0.837789 0.714039 Sm\n0.162211 0.376475 0.714039 Sm\n0.000000 0.000000 0.041470 Cr\n0.000000 0.000000 0.541470 Cr\n0.129899 0.894058 0.309482 S\n0.894058 0.764159 0.809482 S\n0.764159 0.870101 0.309482 S\n0.105943 0.235841 0.309482 S\n0.666667 0.333333 0.051801 S\n0.333334 0.666667 0.551801 S\n0.931182 0.445910 0.455407 S\n0.068819 0.554090 0.955407 S\n0.554091 0.485271 0.455407 S\n0.485271 0.931182 0.955407 S\n0.235841 0.129899 0.809482 S\n0.514730 0.068819 0.455407 S\n0.445910 0.514730 0.955407 S\n0.870102 0.105943 0.809482 S\n",
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{
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{
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"created_at": "2022-09-04T14:38:34.344678Z",
"updated_at": "2022-09-04T14:38:34.344705Z",
"structure_string": "Sr2 Cu4 Sb4\n1.0\n4.602850 0.000000 0.000000\n-0.000000 4.602850 0.000000\n-0.000000 0.000000 10.854475\nSr Cu Sb\n2 4 4\ndirect\n0.000000 0.500000 0.237280 Sr\n0.500000 0.000000 0.762720 Sr\n0.000000 0.500000 0.634155 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.365844 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.129224 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.870776 Sb\n",
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],
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"formula_full": "Sr2 Cu4 Sb4",
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{
"id": "jvasp-94845",
"created_at": "2022-09-04T14:36:11.425285Z",
"updated_at": "2022-09-04T14:36:11.425298Z",
"structure_string": "Ga2 Hg1 S4\n1.0\n5.581364 0.000000 0.000000\n-0.000000 5.581364 0.000000\n-2.790683 -2.790683 5.167131\nGa Hg S\n2 1 4\ndirect\n0.500000 0.500000 -0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n0.592959 0.135715 0.721867 S\n0.128907 0.586152 0.721867 S\n0.864285 0.871092 0.278133 S\n0.413848 0.407040 0.278133 S\n",
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]
}