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{
"id": "jvasp-54991",
"created_at": "2022-09-04T14:37:07.263750Z",
"updated_at": "2022-09-04T14:37:07.263768Z",
"structure_string": "Ho1 B6\n1.0\n4.084315 0.000000 -0.000000\n-0.000000 4.084315 -0.000000\n0.000000 0.000000 4.084315\nHo B\n1 6\ndirect\n0.000000 0.000000 0.000000 Ho\n0.198511 0.499999 0.499999 B\n0.499999 0.801488 0.499999 B\n0.499999 0.198511 0.499999 B\n0.801488 0.499999 0.499999 B\n0.499999 0.499999 0.198511 B\n0.499999 0.499999 0.801488 B\n",
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"structure_string": "Ca12 Hg4\n1.0\n8.159607 0.000000 -2.884857\n-4.079803 7.066427 -2.884857\n-0.000000 -0.000000 8.654571\nCa Hg\n12 4\ndirect\n0.250000 0.500000 0.750000 Ca\n0.750001 0.500000 0.250000 Ca\n0.000000 0.250000 0.250000 Ca\n0.500000 0.250000 0.750000 Ca\n0.750000 0.000000 0.750000 Ca\n0.000000 0.750000 0.750000 Ca\n0.250000 0.000000 0.250000 Ca\n0.250000 0.250000 -0.000000 Ca\n0.250001 0.750000 0.500000 Ca\n0.500001 0.750000 0.250000 Ca\n0.750000 0.250000 0.500000 Ca\n0.750001 0.750000 -0.000000 Ca\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.000000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-54987",
"created_at": "2022-09-04T14:38:27.959191Z",
"updated_at": "2022-09-04T14:38:27.959220Z",
"structure_string": "Sm8 Sn6\n1.0\n7.709011 0.000000 -2.725546\n-3.854505 6.676199 -2.725546\n-0.000000 -0.000000 8.176639\nSm Sn\n8 6\ndirect\n0.359875 0.500000 -0.000000 Sm\n0.859875 0.500000 -0.000001 Sm\n0.640124 0.640125 0.640124 Sm\n0.500000 0.000000 0.359875 Sm\n0.140125 0.140125 0.140125 Sm\n-0.000000 0.859875 0.500000 Sm\n0.500000 0.000000 0.859875 Sm\n-0.000000 0.359875 0.500000 Sm\n0.875000 0.125000 0.750000 Sn\n0.749999 0.875000 0.124999 Sn\n0.250000 0.625000 0.375000 Sn\n0.625000 0.375000 0.249999 Sn\n0.125000 0.750000 0.875000 Sn\n0.375000 0.250000 0.625000 Sn\n",
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"formula_full": "Sm8 Sn6",
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{
"id": "jvasp-54985",
"created_at": "2022-09-04T14:38:18.724017Z",
"updated_at": "2022-09-04T14:38:18.724032Z",
"structure_string": "Ho6 Cu2 Si2 Se14\n1.0\n5.128660 -8.883100 0.000000\n5.128660 8.883100 0.000000\n-0.000000 0.000000 6.010988\nHo Cu Si Se\n6 2 2 14\ndirect\n0.778783 0.643261 0.769616 Ho\n0.643261 0.864479 0.269616 Ho\n0.135521 0.778783 0.269616 Ho\n0.864479 0.221217 0.769616 Ho\n0.356739 0.135521 0.769616 Ho\n0.221217 0.356739 0.269616 Ho\n0.000000 0.000000 0.823493 Cu\n0.000000 0.000000 0.323493 Cu\n0.666667 0.333333 0.181318 Si\n0.333333 0.666667 0.681319 Si\n0.333333 0.666667 0.059628 Se\n0.264037 0.102860 0.304572 Se\n0.521651 0.423713 0.025065 Se\n0.102860 0.838824 0.804573 Se\n0.576287 0.097938 0.025065 Se\n0.838824 0.735964 0.304572 Se\n0.478350 0.576287 0.525065 Se\n0.666667 0.333333 0.559628 Se\n0.897140 0.161176 0.304572 Se\n0.097938 0.521651 0.525065 Se\n0.161176 0.264037 0.804573 Se\n0.423713 0.902062 0.525065 Se\n0.902062 0.478349 0.025065 Se\n0.735964 0.897140 0.804573 Se\n",
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{
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"created_at": "2022-09-04T14:38:33.363896Z",
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"structure_string": "Rb1 Ge1 I3\n1.0\n5.899458 -0.000000 -0.000000\n-0.000000 5.899458 -0.000000\n0.000000 0.000000 5.899458\nRb Ge I\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.000000 I\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.000000 I\n",
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{
"id": "jvasp-54982",
"created_at": "2022-09-04T14:38:35.167740Z",
"updated_at": "2022-09-04T14:38:35.167770Z",
"structure_string": "Ti8 Ni2 Bi4\n1.0\n4.561276 0.000000 1.471161\n2.280639 7.549631 0.735582\n-0.036809 0.000000 7.920730\nTi Ni Bi\n8 2 4\ndirect\n0.080761 0.115544 0.722934 Ti\n0.803696 0.277066 0.115544 Ti\n0.303695 0.115544 0.277065 Ti\n0.580761 0.722934 0.115544 Ti\n0.196305 0.722934 0.884456 Ti\n0.919240 0.884456 0.277065 Ti\n0.419240 0.277066 0.884456 Ti\n0.696306 0.884456 0.722934 Ti\n0.750001 -0.000000 -0.000000 Ni\n0.250000 -0.000000 -0.000000 Ni\n0.359221 0.781560 0.500000 Bi\n0.640780 0.218440 0.500000 Bi\n0.140780 0.500000 0.218440 Bi\n0.859221 0.500000 0.781560 Bi\n",
"nsites": 14,
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{
"id": "jvasp-54981",
"created_at": "2022-09-04T14:38:33.963024Z",
"updated_at": "2022-09-04T14:38:33.963053Z",
"structure_string": "Li1 Ag1 C2\n1.0\n1.876856 -3.250809 -0.000000\n1.876856 3.250809 -0.000000\n-0.000000 -0.000000 5.324929\nLi Ag C\n1 1 2\ndirect\n0.333334 0.666668 0.500000 Li\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.383308 C\n0.000000 0.000000 0.616692 C\n",
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},
{
"id": "jvasp-54980",
"created_at": "2022-09-04T14:38:34.164807Z",
"updated_at": "2022-09-04T14:38:34.164834Z",
"structure_string": "K4 Sn2 Cl12\n1.0\n0.000000 7.015815 -0.002433\n7.077218 0.000000 0.000000\n0.000000 -6.934034 -9.977637\nK Sn Cl\n4 2 12\ndirect\n0.736389 0.545342 0.748285 K\n0.263611 0.454659 0.251715 K\n0.736389 0.954659 0.248285 K\n0.263611 0.045342 0.751715 K\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.229838 0.717825 0.025283 Cl\n0.186952 0.001271 0.244474 Cl\n0.311947 0.206534 0.030840 Cl\n0.813048 0.998729 0.755525 Cl\n0.311947 0.293466 0.530840 Cl\n0.770161 0.217825 0.474717 Cl\n0.229839 0.782176 0.525283 Cl\n0.186952 0.498729 0.744475 Cl\n0.688053 0.793466 0.969160 Cl\n0.770162 0.282175 0.974717 Cl\n0.688053 0.706534 0.469160 Cl\n0.813048 0.501271 0.255525 Cl\n",
"nsites": 18,
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"formula_full": "K4 Sn2 Cl12",
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{
"id": "jvasp-54978",
"created_at": "2022-09-04T14:38:33.774269Z",
"updated_at": "2022-09-04T14:38:33.774293Z",
"structure_string": "Hf2 Hg6 Se4 Cl12\n1.0\n0.000000 6.556374 0.070696\n7.538148 0.000000 0.000000\n0.000000 -0.548010 -13.291201\nHf Hg Se Cl\n2 6 4 12\ndirect\n0.500000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Hf\n0.997767 0.304820 0.264741 Hg\n-0.000000 0.000000 0.500000 Hg\n0.002233 0.804820 0.235259 Hg\n0.002233 0.695181 0.735258 Hg\n0.997767 0.195180 0.764741 Hg\n0.000000 0.500000 0.000000 Hg\n0.194236 0.537920 0.170507 Se\n0.805763 0.462081 0.829493 Se\n0.194236 0.962081 0.670507 Se\n0.805763 0.037920 0.329493 Se\n0.176504 0.859982 0.942342 Cl\n0.823495 0.140018 0.057657 Cl\n0.176504 0.640018 0.442342 Cl\n0.372292 0.285474 0.932540 Cl\n0.372292 0.214526 0.432540 Cl\n0.641696 0.561398 0.335871 Cl\n0.641696 0.938602 0.835871 Cl\n0.358303 0.438602 0.664128 Cl\n0.627707 0.714526 0.067460 Cl\n0.823495 0.359982 0.557657 Cl\n0.358303 0.061398 0.164128 Cl\n0.627707 0.785475 0.567459 Cl\n",
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],
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"volume": 656.5978874382105,
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"formula_full": "Hf2 Hg6 Se4 Cl12",
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{
"id": "jvasp-54977",
"created_at": "2022-09-04T14:38:32.828918Z",
"updated_at": "2022-09-04T14:38:32.828940Z",
"structure_string": "Sr1 Mg1 In3\n1.0\n4.444277 -0.000000 -1.547070\n-0.538539 4.411528 -1.547070\n0.016002 0.018073 7.203061\nSr Mg In\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Mg\n0.389195 0.389195 0.778390 In\n0.610805 0.610805 0.221610 In\n0.750000 0.250000 0.500000 In\n",
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{
"id": "jvasp-54976",
"created_at": "2022-09-04T14:38:10.749855Z",
"updated_at": "2022-09-04T14:38:10.749870Z",
"structure_string": "K8 Cu4 Br12\n1.0\n4.300463 0.000000 0.000000\n0.000000 12.518902 0.000000\n0.000000 0.000000 13.169985\nK Cu Br\n8 4 12\ndirect\n0.250000 0.177680 0.514759 K\n0.250000 0.513724 0.321975 K\n0.749999 0.822320 0.485240 K\n0.749999 0.486276 0.678024 K\n0.749999 0.986275 0.821975 K\n0.250000 0.677679 0.985240 K\n0.749999 0.322320 0.014760 K\n0.250000 0.013724 0.178025 K\n0.250000 0.255280 0.802458 Cu\n0.250000 0.755280 0.697542 Cu\n0.749999 0.744720 0.197542 Cu\n0.749999 0.244720 0.302458 Cu\n0.749999 0.370394 0.447516 Br\n0.749999 0.722322 0.793547 Br\n0.749999 0.222322 0.706452 Br\n0.250000 0.443120 0.862732 Br\n0.250000 0.943120 0.637267 Br\n0.250000 0.777678 0.293547 Br\n0.250000 0.277678 0.206452 Br\n0.250000 0.629606 0.552484 Br\n0.250000 0.129606 0.947515 Br\n0.749999 0.056880 0.362732 Br\n0.749999 0.870394 0.052484 Br\n0.749999 0.556880 0.137268 Br\n",
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],
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"formula_full": "K8 Cu4 Br12",
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"spacegroup": 62
}
]
}