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{
"id": "jvasp-8807",
"created_at": "2022-09-04T14:37:02.801108Z",
"updated_at": "2022-09-04T14:37:02.801129Z",
"structure_string": "Li2 Sm2 S4\n1.0\n7.845280 0.000000 -0.000000\n7.845280 6.848030 0.038064\n3.922640 4.583298 3.240832\nLi Sm S\n2 2 4\ndirect\n0.500005 0.000000 0.000000 Li\n0.249995 0.500000 -0.000001 Li\n-0.000000 0.000000 0.000000 Sm\n0.750000 0.500000 -0.000001 Sm\n0.248273 0.000002 0.503452 S\n0.998270 0.500002 0.503451 S\n0.751729 -0.000001 0.496547 S\n0.501726 0.499999 0.496547 S\n",
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{
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"structure_string": "Li1 Sm1 S2\n1.0\n3.796706 -0.004149 5.380153\n1.704181 3.392751 5.380153\n-0.006734 -0.004149 6.584906\nLi Sm S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 0.499999 0.499999 Sm\n0.252307 0.252306 0.252306 S\n0.747696 0.747693 0.747693 S\n",
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{
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"structure_string": "Li2 Si1 Sn1 S4\n1.0\n5.426123 -0.021638 -2.486397\n-3.185611 4.948294 -0.995855\n-0.013930 0.021638 5.968650\nLi Si Sn S\n2 1 1 4\ndirect\n0.500000 0.250000 0.750000 Li\n0.499999 0.749999 0.250000 Li\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Sn\n0.613513 0.465368 0.465368 S\n-0.000000 0.534631 0.148145 S\n0.000000 0.148145 0.534632 S\n0.386486 0.851855 0.851855 S\n",
"nsites": 8,
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"elements": [
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"density_atomic": 0.05001132552303772,
"volume": 159.9637665335385,
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"formula_full": "Li2 Si1 Sn1 S4",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-35975",
"created_at": "2022-09-04T14:37:18.317017Z",
"updated_at": "2022-09-04T14:37:18.317027Z",
"structure_string": "Li1 Sc1 S2\n1.0\n-1.841495 -3.189565 -0.000000\n-3.682992 -0.000000 -0.000000\n-1.841495 -1.063188 -6.044945\nLi Sc S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.499999 0.500001 0.500000 Sc\n0.752589 0.752592 0.742230 S\n0.247410 0.247410 0.257771 S\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li1 Sc1 S2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-50438",
"created_at": "2022-09-04T14:37:17.878484Z",
"updated_at": "2022-09-04T14:37:17.878499Z",
"structure_string": "Li6 Sb2 S8\n1.0\n6.417641 0.000000 0.000000\n0.000000 6.825544 0.000000\n0.000000 0.000000 7.933875\nLi Sb S\n6 2 8\ndirect\n0.498039 0.843803 0.000000 Li\n0.002940 0.672618 0.246451 Li\n0.502939 0.327382 0.253549 Li\n0.998039 0.156196 0.500000 Li\n0.502939 0.327382 0.746451 Li\n0.002940 0.672618 0.753549 Li\n0.005320 0.170870 0.000000 Sb\n0.505319 0.829129 0.500000 Sb\n0.879618 0.843947 0.000000 S\n0.376057 0.179547 0.000000 S\n0.881993 0.334962 0.244705 S\n0.381993 0.665038 0.255296 S\n0.876057 0.820453 0.500000 S\n0.379618 0.156053 0.500000 S\n0.381993 0.665038 0.744705 S\n0.881993 0.334962 0.755296 S\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Li-S-Sb",
"density": 2.5882049600073,
"density_atomic": 0.04603858202805466,
"volume": 347.5345958798218,
"volume_molar": 13.080639095987518,
"formula_full": "Li6 Sb2 S8",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
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"spacegroup": 31
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{
"id": "jvasp-50163",
"created_at": "2022-09-04T14:37:15.527676Z",
"updated_at": "2022-09-04T14:37:15.527726Z",
"structure_string": "Li6 Sb2 S6\n1.0\n6.925017 2.280027 2.479848\n1.737712 7.080593 2.479839\n1.737701 1.877707 7.263514\nLi Sb S\n6 2 6\ndirect\n0.090833 0.365816 0.686005 Li\n0.313994 0.909167 0.634184 Li\n0.365816 0.686006 0.090833 Li\n0.634184 0.313995 0.909167 Li\n0.686006 0.090833 0.365816 Li\n0.909167 0.634184 0.313994 Li\n0.181404 0.181404 0.181404 Sb\n0.818596 0.818596 0.818596 Sb\n0.039414 0.766860 0.429869 S\n0.233139 0.570132 0.960585 S\n0.429869 0.039415 0.766860 S\n0.570131 0.960586 0.233140 S\n0.766860 0.429869 0.039414 S\n0.960586 0.233140 0.570131 S\n",
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"density_atomic": 0.049551510497796686,
"volume": 282.53427311005004,
"volume_molar": 12.153294015664317,
"formula_full": "Li6 Sb2 S6",
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"formula_anonymous": "AB3C3",
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{
"id": "jvasp-42666",
"created_at": "2022-09-04T14:35:57.869419Z",
"updated_at": "2022-09-04T14:35:57.869442Z",
"structure_string": "Li3 Sb1 S4\n1.0\n6.030143 0.000000 0.000000\n-0.000000 6.030143 0.000000\n-0.000000 0.000000 6.030143\nLi Sb S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n0.225847 0.225847 0.225847 S\n0.225847 0.774153 0.774153 S\n0.774153 0.225847 0.774153 S\n0.774153 0.774153 0.225847 S\n",
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"volume": 219.2718261960253,
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"formula_full": "Li3 Sb1 S4",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5391595125000002,
"spacegroup": 215
},
{
"id": "jvasp-92250",
"created_at": "2022-09-04T14:35:47.704508Z",
"updated_at": "2022-09-04T14:35:47.704538Z",
"structure_string": "Li3 Sb1 S4\n1.0\n0.000000 5.626021 -0.000000\n5.626021 -0.000000 -0.000000\n2.813010 2.813010 -5.452175\nLi Sb S\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.000000 0.000000 0.000000 Sb\n0.629506 0.116103 0.254392 S\n0.116103 0.629506 0.254392 S\n0.370494 0.370494 0.745609 S\n0.883896 0.883896 0.745609 S\n",
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"volume": 172.57285533803952,
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"formula_full": "Li3 Sb1 S4",
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"formula_anonymous": "AB3C4",
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"spacegroup": 121
},
{
"id": "jvasp-46780",
"created_at": "2022-09-04T14:38:07.157831Z",
"updated_at": "2022-09-04T14:38:07.157869Z",
"structure_string": "Li14 Sb4 S4\n1.0\n5.649114 0.040604 0.023592\n2.122624 8.537792 0.044453\n2.093309 3.363136 9.009261\nLi Sb S\n14 4 4\ndirect\n0.551516 0.438536 0.870336 Li\n0.448483 0.561464 0.129663 Li\n0.898492 0.741380 0.200887 Li\n0.442000 0.059472 0.120971 Li\n0.659889 0.110914 0.447128 Li\n0.205618 0.348188 0.480851 Li\n0.393390 0.745099 0.330281 Li\n0.925601 0.079185 0.127753 Li\n0.794381 0.651812 0.519148 Li\n0.340110 0.889086 0.552871 Li\n0.074398 0.920815 0.872246 Li\n0.557999 0.940528 0.879029 Li\n0.101507 0.258620 0.799112 Li\n0.606609 0.254901 0.669718 Li\n0.884125 0.632172 0.876561 Sb\n0.250489 0.568660 0.634254 Sb\n0.749510 0.431340 0.365745 Sb\n0.115874 0.367828 0.123438 Sb\n0.650644 0.923330 0.336554 S\n0.734453 0.151744 0.905399 S\n0.349355 0.076670 0.663446 S\n0.265546 0.848256 0.094600 S\n",
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"formula_full": "Li14 Sb4 S4",
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"formula_anonymous": "A2B2C7",
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{
"id": "jvasp-46001",
"created_at": "2022-09-04T14:38:08.373613Z",
"updated_at": "2022-09-04T14:38:08.373625Z",
"structure_string": "Li6 Sb2 S8\n1.0\n-0.000000 7.845351 0.000000\n-5.897448 3.922676 -1.817366\n3.797573 -3.922676 8.324499\nLi Sb S\n6 2 8\ndirect\n0.919198 0.061154 0.631532 Li\n0.651179 0.561154 0.131531 Li\n0.437400 0.580911 0.680364 Li\n0.313031 0.452653 0.882416 Li\n0.662053 0.080911 0.180364 Li\n0.116732 0.952652 0.382415 Li\n0.830247 0.755649 0.720769 Sb\n0.134873 0.255649 0.220769 Sb\n0.011160 0.671032 0.044460 S\n0.660971 0.861568 0.484070 S\n0.232354 0.661774 0.458501 S\n0.435932 0.828555 0.030283 S\n0.564372 0.161775 0.958502 S\n0.765796 0.328555 0.530283 S\n0.362268 0.171033 0.544460 S\n0.961531 0.361568 0.984070 S\n",
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"volume": 331.00885211186164,
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"formula_full": "Li6 Sb2 S8",
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},
{
"id": "jvasp-52357",
"created_at": "2022-09-04T14:36:12.290907Z",
"updated_at": "2022-09-04T14:36:12.290930Z",
"structure_string": "Li10 Sb2 S2\n1.0\n4.816819 -0.000000 0.060234\n-2.408409 8.298648 -0.030117\n-0.266403 0.000000 6.146331\nLi Sb S\n10 2 2\ndirect\n0.179501 0.924169 0.090410 Li\n0.197796 0.381789 0.994515 Li\n0.364020 0.728039 0.749999 Li\n0.183993 0.381789 0.505484 Li\n0.255331 0.075831 0.590410 Li\n0.744669 0.924169 0.409589 Li\n0.816008 0.618212 0.494515 Li\n0.635981 0.271961 0.249999 Li\n0.802204 0.618212 0.005484 Li\n0.820500 0.075831 0.909589 Li\n0.332827 0.665657 0.249999 Sb\n0.667173 0.334344 0.749999 Sb\n0.074353 0.148707 0.250000 S\n0.925647 0.851293 0.749999 S\n",
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"formula_full": "Li10 Sb2 S2",
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"spacegroup": 15
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{
"id": "jvasp-45973",
"created_at": "2022-09-04T14:38:03.810225Z",
"updated_at": "2022-09-04T14:38:03.810250Z",
"structure_string": "Li5 Sb1 S4\n1.0\n0.000000 3.893351 0.000000\n-7.480875 1.946676 0.916399\n-2.600170 0.000000 6.659418\nLi Sb S\n5 1 4\ndirect\n0.178878 0.642244 0.969889 Li\n0.178879 0.642245 0.387794 Li\n0.821122 0.357755 0.612206 Li\n0.821124 0.357755 0.030111 Li\n0.500000 -0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Sb\n-0.000001 0.000002 0.271583 S\n0.713841 0.572318 0.213838 S\n0.286160 0.427681 0.786163 S\n0.000001 -0.000002 0.728418 S\n",
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"volume": 184.682975217923,
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"formula_full": "Li5 Sb1 S4",
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"formula_anonymous": "AB4C5",
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}
]
}