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{
"id": "jvasp-12835",
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"structure_string": "Na4 B4 Se14\n1.0\n6.388333 0.000000 2.040369\n2.820497 7.354333 2.190133\n-0.017909 0.041082 11.077096\nNa B Se\n4 4 14\ndirect\n0.672875 0.181759 0.034873 Na\n0.889507 0.318241 0.465127 Na\n0.327125 0.818240 0.965127 Na\n0.110493 0.681759 0.534873 Na\n0.835737 0.614170 0.150248 B\n0.600155 0.885830 0.349752 B\n0.164263 0.385830 0.849753 B\n0.399845 0.114170 0.650248 B\n0.913252 0.901245 0.275387 Se\n0.089884 0.598755 0.224613 Se\n0.630304 0.854150 0.669618 Se\n0.154073 0.645849 0.830382 Se\n0.369697 0.145849 0.330382 Se\n0.845927 0.354151 0.169618 Se\n0.197965 0.218351 0.022386 Se\n0.802035 0.781648 0.977614 Se\n0.438702 0.281649 0.477614 Se\n0.910117 0.401245 0.775387 Se\n0.482425 0.250000 0.750000 Se\n0.517576 0.750000 0.250000 Se\n0.561298 0.718351 0.522386 Se\n0.086748 0.098755 0.724614 Se\n",
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{
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"structure_string": "Pr10 Sn6\n1.0\n9.361059 -0.000000 0.000000\n-4.680529 8.106915 0.000000\n-0.000000 -0.000000 6.853876\nPr Sn\n10 6\ndirect\n0.666667 0.333333 0.500000 Pr\n0.333333 0.666666 0.500000 Pr\n0.333333 0.666666 -0.000000 Pr\n0.666667 0.333333 -0.000000 Pr\n0.756267 0.756266 0.250000 Pr\n0.243733 0.000000 0.250000 Pr\n-0.000000 0.243733 0.250000 Pr\n0.243733 0.243733 0.750000 Pr\n0.756267 0.000000 0.750000 Pr\n-0.000000 0.756266 0.750000 Pr\n0.392525 0.392525 0.250000 Sn\n0.607475 0.000000 0.250000 Sn\n-0.000000 0.607474 0.250000 Sn\n0.607474 0.607474 0.750000 Sn\n0.392526 0.000000 0.750000 Sn\n-0.000000 0.392525 0.750000 Sn\n",
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{
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"updated_at": "2022-09-04T14:37:04.422631Z",
"structure_string": "Sm2 Er6 Se12\n1.0\n0.000000 11.486123 0.009119\n4.073853 0.000000 0.000000\n0.000000 -3.872267 -11.117674\nSm Er Se\n2 6 12\ndirect\n0.453195 0.250000 0.804685 Sm\n0.546804 0.750000 0.195315 Sm\n0.340364 0.250000 0.415120 Er\n0.659635 0.750000 0.584880 Er\n0.818622 0.250000 0.999160 Er\n0.181378 0.750000 0.000839 Er\n0.063139 0.250000 0.666616 Er\n0.936860 0.750000 0.333384 Er\n0.106633 0.250000 0.440319 Se\n0.893366 0.750000 0.559680 Se\n0.981034 0.750000 0.115341 Se\n0.018965 0.250000 0.884658 Se\n0.615543 0.750000 0.965362 Se\n0.303519 0.750000 0.249748 Se\n0.417078 0.750000 0.595832 Se\n0.582921 0.250000 0.404168 Se\n0.240557 0.750000 0.774030 Se\n0.696481 0.250000 0.750251 Se\n0.384457 0.250000 0.034638 Se\n0.759442 0.250000 0.225969 Se\n",
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{
"id": "jvasp-112310",
"created_at": "2022-09-04T14:38:26.346990Z",
"updated_at": "2022-09-04T14:38:26.347011Z",
"structure_string": "Mn2 Nb8 Se16\n1.0\n6.961045 -0.000000 0.000000\n-3.480522 6.028442 0.000000\n-0.000000 -0.000000 12.391524\nMn Nb Se\n2 8 16\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.492257 0.507742 0.750000 Nb\n0.492257 0.984515 0.750000 Nb\n0.507742 0.492257 0.250000 Nb\n0.015485 0.507742 0.750000 Nb\n0.507742 0.015485 0.250000 Nb\n0.000000 0.000000 0.750000 Nb\n0.000000 0.000000 0.250000 Nb\n0.984514 0.492257 0.250000 Nb\n0.833936 0.667874 0.614478 Se\n0.166063 0.833936 0.114479 Se\n0.332126 0.166063 0.885521 Se\n0.833936 0.667874 0.885521 Se\n0.833936 0.166063 0.885521 Se\n0.332126 0.166063 0.614478 Se\n0.833936 0.166063 0.614478 Se\n0.666666 0.333333 0.391003 Se\n0.166063 0.332126 0.385521 Se\n0.166063 0.833936 0.385521 Se\n0.333333 0.666666 0.608996 Se\n0.166063 0.332126 0.114479 Se\n0.666666 0.333333 0.108996 Se\n0.333333 0.666666 0.891003 Se\n0.667874 0.833936 0.385521 Se\n0.667874 0.833936 0.114479 Se\n",
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{
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"created_at": "2022-09-04T14:35:48.347374Z",
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"structure_string": "Mn4 Si2 P8 O28\n1.0\n5.029836 0.000068 -0.000005\n-2.515092 8.312516 -2.012869\n0.000052 -0.008855 12.429844\nMn Si P O\n4 2 8 28\ndirect\n0.091843 0.491377 0.631270 Mn\n0.400998 0.491394 0.131270 Mn\n0.599756 0.507272 0.867876 Mn\n0.908908 0.507275 0.367889 Mn\n0.157791 0.999327 0.749585 Si\n0.842949 0.999329 0.249579 Si\n0.692531 0.730317 0.586693 P\n0.039206 0.730318 0.086690 P\n0.487448 0.240207 0.629247 P\n0.754181 0.240221 0.129253 P\n0.513318 0.758451 0.369916 P\n0.246567 0.758449 0.869912 P\n0.308236 0.268325 0.412463 P\n0.961516 0.268334 0.912466 P\n0.484000 0.274575 0.113791 O\n0.129992 0.819983 0.987611 O\n0.309348 0.178667 0.511547 O\n0.610487 0.621953 0.299730 O\n-0.012153 0.376726 0.199431 O\n0.390288 0.376713 0.699424 O\n0.012902 0.621946 0.799729 O\n0.032831 0.131109 0.825833 O\n0.791985 0.274564 0.613787 O\n0.901090 0.867518 0.673331 O\n0.967839 0.867524 0.173320 O\n0.099700 0.131105 0.325826 O\n0.779762 0.590861 0.046431 O\n0.188229 0.407774 0.452717 O\n0.220977 0.407784 0.952716 O\n0.812521 0.590862 0.546436 O\n0.284422 0.695525 0.132661 O\n0.588256 0.303122 0.366499 O\n0.716300 0.303132 0.866498 O\n0.412511 0.695519 0.632655 O\n0.870748 0.178684 0.011553 O\n0.691436 0.819987 0.487615 O\n0.387639 0.080459 0.671814 O\n0.306531 0.918204 0.827353 O\n0.613105 0.918206 0.327356 O\n0.694227 0.080469 0.171816 O\n0.516743 0.724090 0.885377 O\n0.208785 0.724085 0.385385 O\n",
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"formula_full": "Mn4 Si2 P8 O28",
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{
"id": "jvasp-112650",
"created_at": "2022-09-04T14:38:42.474001Z",
"updated_at": "2022-09-04T14:38:42.474032Z",
"structure_string": "Rb4 Tl1 Sb1 Cl12\n1.0\n7.207016 -0.000000 0.000000\n0.000000 7.207016 0.000000\n-0.000000 -0.000000 10.003746\nRb Tl Sb Cl\n4 1 1 12\ndirect\n0.500000 0.000000 0.773685 Rb\n-0.000000 0.500000 0.226315 Rb\n0.500000 0.000000 0.226315 Rb\n-0.000000 0.500000 0.773685 Rb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Sb\n0.743846 0.743846 -0.000000 Cl\n0.261637 0.261637 0.500000 Cl\n0.500000 0.500000 0.742019 Cl\n0.000000 0.000000 0.264869 Cl\n0.256155 0.743846 -0.000000 Cl\n0.738363 0.738363 0.500000 Cl\n0.256155 0.256155 -0.000000 Cl\n0.261637 0.738363 0.500000 Cl\n0.500000 0.500000 0.257981 Cl\n0.000000 0.000000 0.735131 Cl\n0.738363 0.261637 0.500000 Cl\n0.743846 0.256155 -0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:36:11.605945Z",
"updated_at": "2022-09-04T14:36:11.605971Z",
"structure_string": "In4 Ag4 Ge2 S12\n1.0\n6.857994 0.030294 2.075656\n3.017837 6.158381 2.075656\n0.024866 0.015583 12.339917\nIn Ag Ge S\n4 4 2 12\ndirect\n0.321279 0.514333 0.439833 In\n0.167850 0.301991 0.243755 In\n0.301992 0.167850 0.743755 In\n0.514335 0.321277 0.939834 In\n0.804865 0.988408 0.243741 Ag\n0.808712 0.385538 0.591185 Ag\n0.385539 0.808712 0.091185 Ag\n0.988410 0.804863 0.743741 Ag\n0.932524 0.407308 0.999121 Ge\n0.407310 0.932523 0.499121 Ge\n0.060178 0.517199 0.628654 S\n0.647468 0.165638 0.758625 S\n0.360731 0.829325 0.689641 S\n0.116401 0.602749 0.949969 S\n0.633417 0.608365 0.919758 S\n0.517199 0.060177 0.128654 S\n0.829325 0.360729 0.189641 S\n0.165639 0.647468 0.258624 S\n0.602749 0.116399 0.449969 S\n0.086815 0.097909 0.442921 S\n0.608366 0.633416 0.419758 S\n0.097910 0.086814 0.942921 S\n",
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{
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"created_at": "2022-09-04T14:35:57.310612Z",
"updated_at": "2022-09-04T14:35:57.310624Z",
"structure_string": "Ca4 Al2 H20 Cl2 O16\n1.0\n10.461348 -0.000000 -2.041681\n0.470472 3.101670 7.913087\n0.470472 -3.101670 7.913087\nCa Al H Cl O\n4 2 20 2 16\ndirect\n0.823797 0.501259 0.578177 Ca\n0.676203 0.921824 -0.001259 Ca\n0.176203 0.498741 0.421824 Ca\n0.323797 0.078177 0.001259 Ca\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.442553 0.398344 0.241310 H\n0.057447 0.258690 0.101656 H\n0.557447 0.601656 0.758691 H\n0.942553 0.741310 0.898345 H\n0.115055 0.196634 0.353064 H\n0.615055 0.853064 0.696634 H\n0.884945 0.803366 0.646937 H\n0.882931 0.432801 0.292789 H\n0.617069 0.207211 0.067200 H\n0.384945 0.146936 0.303366 H\n0.382930 0.792789 -0.067199 H\n0.117069 0.567200 0.707211 H\n0.992458 0.238597 0.141203 H\n0.492458 0.641203 0.738597 H\n0.007541 0.761404 0.858798 H\n0.507542 0.358798 0.261403 H\n0.817183 0.979442 0.399691 H\n0.682817 0.100309 0.520558 H\n0.182816 0.020558 0.600309 H\n0.317183 -0.100309 0.479442 H\n0.750000 0.321716 0.178284 Cl\n0.250000 0.678284 0.821717 Cl\n0.389886 0.688768 0.230543 O\n0.850022 0.821582 0.522985 O\n0.889886 0.730543 0.188768 O\n0.610113 0.311232 0.769458 O\n0.110113 0.269458 0.811232 O\n0.649977 0.977015 0.678419 O\n0.937991 0.486877 0.350817 O\n0.858523 0.133281 0.895291 O\n0.062008 0.513123 0.649184 O\n0.437991 0.850816 -0.013123 O\n0.141477 0.866719 0.104709 O\n0.358523 0.395291 0.633281 O\n0.641477 0.604709 0.366719 O\n0.149977 0.178419 0.477015 O\n0.562009 0.149184 0.013123 O\n0.350023 0.022985 0.321581 O\n",
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"structure_string": "Li4 Yb8 In4 Ge8\n1.0\n4.377306 -0.000000 0.000000\n0.000000 7.142305 0.000000\n0.000000 0.000000 16.615468\nYb Li In Ge\n8 4 4 8\ndirect\n0.750001 0.985127 0.279536 Yb\n0.250000 0.514874 0.779536 Yb\n0.750001 0.485127 0.220464 Yb\n0.250000 0.014873 0.720464 Yb\n0.750001 0.843156 0.062117 Yb\n0.250000 0.656845 0.562117 Yb\n0.750001 0.343155 0.437883 Yb\n0.250000 0.156845 0.937883 Yb\n0.750001 0.490269 0.933071 Li\n0.250000 0.009732 0.433070 Li\n0.750001 0.990269 0.566930 Li\n0.250000 0.509732 0.066930 Li\n0.750001 0.844610 0.846739 In\n0.250000 0.655391 0.346739 In\n0.750001 0.344610 0.653261 In\n0.250000 0.155391 0.153261 In\n0.750001 0.269405 0.060724 Ge\n0.750001 0.731490 0.684229 Ge\n0.250000 0.768511 0.184229 Ge\n0.750001 0.231489 0.815771 Ge\n0.250000 0.268511 0.315771 Ge\n0.750001 0.769406 0.439276 Ge\n0.250000 0.730595 0.939276 Ge\n0.250000 0.230595 0.560724 Ge\n",
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{
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"structure_string": "Ba8 In4\n1.0\n5.902402 -0.000000 0.000000\n0.000000 8.049115 0.000000\n-0.000000 -0.000000 10.933828\nBa In\n8 4\ndirect\n0.250000 0.021347 0.694848 Ba\n0.250000 0.521347 0.805153 Ba\n0.750000 0.978652 0.305152 Ba\n0.750000 0.478653 0.194848 Ba\n0.250000 0.678009 0.425739 Ba\n0.250000 0.178009 0.074261 Ba\n0.750000 0.321991 0.574261 Ba\n0.750000 0.821991 0.925739 Ba\n0.250000 0.229657 0.396032 In\n0.250000 0.729656 0.103968 In\n0.750000 0.770343 0.603968 In\n0.750000 0.270343 0.896032 In\n",
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"elements": [
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{
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}