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{
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{
"id": "jvasp-55943",
"created_at": "2022-09-04T14:38:08.082366Z",
"updated_at": "2022-09-04T14:38:08.082379Z",
"structure_string": "Rb4 Cd4 Br12\n1.0\n4.243091 0.000000 0.000000\n0.000000 9.431519 0.000000\n0.000000 0.000000 15.661753\nRb Cd Br\n4 4 12\ndirect\n0.750000 0.572585 0.826779 Rb\n0.250000 0.427415 0.173220 Rb\n0.750000 0.072585 0.673220 Rb\n0.250000 0.927415 0.326779 Rb\n0.750000 0.834753 0.057617 Cd\n0.250000 0.165247 0.942382 Cd\n0.750000 0.334753 0.442382 Cd\n0.250000 0.665247 0.557617 Cd\n0.250000 0.028450 0.103381 Br\n0.750000 0.971550 0.896619 Br\n0.250000 0.666127 0.995351 Br\n0.750000 0.333873 0.004649 Br\n0.250000 0.166127 0.504649 Br\n0.250000 0.288372 0.788028 Br\n0.250000 0.788372 0.711972 Br\n0.750000 0.211628 0.288028 Br\n0.750000 0.471550 0.603381 Br\n0.750000 0.711628 0.211972 Br\n0.750000 0.833873 0.495351 Br\n0.250000 0.528450 0.396619 Br\n",
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{
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"created_at": "2022-09-04T14:38:16.137296Z",
"updated_at": "2022-09-04T14:38:16.137316Z",
"structure_string": "Ca4 Th1 F12\n1.0\n3.910432 -0.046714 -0.026261\n-1.911787 3.623642 0.024728\n-1.859257 -0.986654 15.867837\nCa Th F\n4 1 12\ndirect\n0.932487 0.916153 0.983387 Ca\n0.148990 0.542608 0.790195 Ca\n0.368902 0.174711 0.598040 Ca\n0.585521 0.801296 0.404853 Ca\n0.759179 0.358996 0.194115 Th\n0.507508 0.790278 0.259560 F\n0.195446 0.156396 0.269379 F\n0.286388 0.155226 0.452648 F\n0.010892 0.927787 0.128679 F\n0.063560 0.518299 0.643780 F\n0.454329 0.199022 0.744462 F\n0.322968 0.561706 0.118853 F\n0.843460 0.884900 0.836816 F\n0.674475 0.832478 0.551423 F\n0.231644 0.562304 0.935588 F\n0.898776 0.479789 0.352786 F\n0.619467 0.238064 0.035441 F\n",
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{
"id": "jvasp-49778",
"created_at": "2022-09-04T14:38:16.366413Z",
"updated_at": "2022-09-04T14:38:16.366431Z",
"structure_string": "Ba8 O2 F12\n1.0\n8.770294 -0.000000 -0.000000\n0.000000 8.770294 0.000000\n0.000000 0.000000 6.303881\nBa O F\n8 2 12\ndirect\n0.500000 0.754121 0.793893 Ba\n0.254121 0.000000 0.293893 Ba\n0.745878 0.000000 0.293893 Ba\n0.500000 0.245878 0.793893 Ba\n0.000000 0.254121 0.706107 Ba\n0.754121 0.500000 0.206107 Ba\n0.245878 0.500000 0.206107 Ba\n0.000000 0.745878 0.706107 Ba\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.964828 F\n0.000000 0.500000 0.464828 F\n0.720919 0.279081 0.500000 F\n0.279081 0.279081 0.500000 F\n0.220919 0.220919 0.000000 F\n0.220919 0.779080 0.000000 F\n0.500000 0.000000 0.535171 F\n0.500000 0.000000 0.035172 F\n0.779080 0.779080 0.000000 F\n0.279081 0.720919 0.500000 F\n0.779080 0.220919 0.000000 F\n0.720919 0.720919 0.500000 F\n",
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"elements": [
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],
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"density": 4.652678061809916,
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{
"id": "jvasp-21265",
"created_at": "2022-09-04T14:38:16.264277Z",
"updated_at": "2022-09-04T14:38:16.264300Z",
"structure_string": "K12 Hg2 S8\n1.0\n5.011485 -8.680147 -0.000000\n5.011485 8.680147 0.000000\n0.000000 0.000000 7.600263\nK Hg S\n12 2 8\ndirect\n0.297705 0.148853 0.296075 K\n0.148853 0.297705 0.796075 K\n0.702296 0.851148 0.796075 K\n0.851148 0.702296 0.296075 K\n0.851148 0.148853 0.296075 K\n0.148853 0.851148 0.796075 K\n0.472482 0.944965 0.123131 K\n0.527519 0.055036 0.623131 K\n0.527519 0.472482 0.623131 K\n0.472482 0.527519 0.123131 K\n0.944965 0.472482 0.623131 K\n0.055036 0.527519 0.123131 K\n0.666668 0.333333 -0.001081 Hg\n0.333333 0.666668 0.498918 Hg\n0.811423 0.188578 0.894305 S\n0.622846 0.811424 0.394305 S\n0.811424 0.622846 0.894305 S\n0.188577 0.377155 0.394305 S\n0.377155 0.188577 0.894305 S\n0.666668 0.333333 0.348543 S\n0.333333 0.666668 0.848543 S\n0.188578 0.811423 0.394305 S\n",
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],
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"volume": 661.229363846417,
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},
{
"id": "jvasp-54793",
"created_at": "2022-09-04T14:38:16.259558Z",
"updated_at": "2022-09-04T14:38:16.259580Z",
"structure_string": "Sr2 Ce2 I8\n1.0\n7.376894 -0.001695 -0.000186\n-1.632882 8.419344 -0.006846\n-2.870303 -4.202032 7.413128\nSr Ce I\n2 2 8\ndirect\n0.385647 0.135645 0.271325 Sr\n0.614353 0.864354 0.728674 Sr\n0.749817 0.499810 -0.000382 Ce\n0.250182 0.500189 0.000381 Ce\n0.991756 0.258383 0.126121 I\n0.207417 0.800719 0.356230 I\n0.648741 0.555444 0.356201 I\n0.351259 0.444556 0.643798 I\n0.365696 0.132313 0.873909 I\n0.792583 0.199280 0.643770 I\n0.634304 0.867687 0.126090 I\n0.008243 0.741617 0.873878 I\n",
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"I"
],
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"density": 5.3069774533229825,
"density_atomic": 0.026076722607435054,
"volume": 460.1805288437027,
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"formula_full": "Sr2 Ce2 I8",
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"formula_anonymous": "ABC4",
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"spacegroup": 15
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{
"id": "jvasp-17609",
"created_at": "2022-09-04T14:38:29.438011Z",
"updated_at": "2022-09-04T14:38:29.438046Z",
"structure_string": "Ba2 Pb2\n1.0\n4.856968 0.000000 0.000000\n-0.000000 4.929766 -2.069719\n0.000000 0.005679 6.919372\nBa Pb\n2 2\ndirect\n0.750000 0.133310 0.266618 Ba\n0.250000 0.866692 0.733382 Ba\n0.750000 0.420526 0.841051 Pb\n0.250000 0.579475 0.158949 Pb\n",
"nsites": 4,
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"density_atomic": 0.024135268835903886,
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},
{
"id": "jvasp-108691",
"created_at": "2022-09-04T14:38:04.129806Z",
"updated_at": "2022-09-04T14:38:04.129832Z",
"structure_string": "Rb3 Dy1 F6\n1.0\n6.041636 0.146411 -3.306692\n-2.056910 5.682599 -3.306692\n-0.100087 -0.146411 6.886622\nRb Dy F\n3 1 6\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Dy\n-0.000000 0.310614 0.310614 F\n-0.000000 0.689387 0.689386 F\n0.310614 -0.000000 0.310614 F\n0.689386 -0.000000 0.689386 F\n0.229655 0.229655 0.000000 F\n0.770345 0.770345 0.000001 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.801833588096092,
"density_atomic": 0.04296386296221958,
"volume": 232.7537449040263,
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"formula_full": "Rb3 Dy1 F6",
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},
{
"id": "jvasp-69242",
"created_at": "2022-09-04T14:35:44.235763Z",
"updated_at": "2022-09-04T14:35:44.235780Z",
"structure_string": "Ba2 Pb1 Cl1\n1.0\n-0.000000 4.189987 4.189987\n4.189987 0.000000 4.189987\n4.189987 4.189987 -0.000000\nBa Pb Cl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-105995",
"created_at": "2022-09-04T14:35:46.951437Z",
"updated_at": "2022-09-04T14:35:46.951455Z",
"structure_string": "Sr2 Zn1 Bi2\n1.0\n4.802988 0.000000 -0.000000\n-2.401494 4.159508 0.000000\n0.000000 -0.000000 8.709616\nSr Zn Bi\n2 1 2\ndirect\n0.666668 0.333333 0.721023 Sr\n0.666668 0.333333 0.278978 Sr\n0.333334 0.666667 0.000000 Zn\n0.333334 0.666667 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 5,
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"volume": 174.00129207853203,
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"formula_full": "Sr2 Zn1 Bi2",
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},
{
"id": "jvasp-108112",
"created_at": "2022-09-04T14:35:46.764925Z",
"updated_at": "2022-09-04T14:35:46.764947Z",
"structure_string": "K1 Rb1 Mn1 F6\n1.0\n5.064518 -0.000000 2.924001\n1.688173 4.774874 2.924001\n-0.000000 -0.000000 5.848002\nK Rb Mn F\n1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.778558 0.778558 0.221442 F\n0.221442 0.778558 0.221442 F\n0.778558 0.221442 0.221442 F\n0.221442 0.221442 0.778558 F\n0.778558 0.221442 0.778558 F\n0.221442 0.778558 0.778558 F\n",
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{
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"structure_string": "K2 Yb6 F20\n1.0\n6.894882 -0.003323 3.980311\n2.257969 6.642314 4.046240\n-0.082992 0.022807 8.099068\nYb K F\n6 2 20\ndirect\n0.770058 0.773711 0.231217 Yb\n0.770049 0.231093 0.773793 Yb\n0.768465 0.226302 0.226297 Yb\n0.229937 0.226291 0.768778 Yb\n0.231530 0.773707 0.773701 Yb\n0.229950 0.768902 0.226213 Yb\n0.770329 0.735794 0.735875 K\n0.229670 0.264207 0.264126 K\n0.812741 0.163624 0.512577 F\n0.493057 0.493335 0.131616 F\n0.499915 0.681175 0.318960 F\n0.812781 0.512356 0.163998 F\n0.869249 0.500752 0.500824 F\n0.641126 0.109351 0.109452 F\n0.107757 0.667712 0.107829 F\n0.500076 0.318828 0.681047 F\n0.871485 0.885699 0.885800 F\n0.128517 0.114303 0.114199 F\n0.507158 0.868212 0.506897 F\n0.892268 0.892178 0.332303 F\n0.107733 0.107821 0.667700 F\n0.358879 0.890650 0.890542 F\n0.506949 0.506663 0.868382 F\n0.130750 0.499249 0.499179 F\n0.187223 0.487635 0.836006 F\n0.187262 0.836382 0.487416 F\n0.892243 0.332289 0.892169 F\n0.492843 0.131786 0.493104 F\n",
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},
{
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"created_at": "2022-09-04T14:35:44.357565Z",
"updated_at": "2022-09-04T14:35:44.357591Z",
"structure_string": "Na3 Sb1 I6\n1.0\n7.384719 -0.000000 4.263569\n2.461573 6.962380 4.263569\n-0.000000 0.000000 8.527138\nNa Sb I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.751589 0.248411 0.248411 I\n0.248411 0.248411 0.751589 I\n0.248411 0.751589 0.751590 I\n0.248411 0.751589 0.248411 I\n0.751589 0.248411 0.751589 I\n0.751589 0.751589 0.248411 I\n",
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"formula_full": "Na3 Sb1 I6",
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}
]
}