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{
"id": "jvasp-29145",
"created_at": "2022-09-04T14:37:37.598587Z",
"updated_at": "2022-09-04T14:37:37.598607Z",
"structure_string": "Te2 Mo2 W2 Se6\n1.0\n3.381961 0.000000 -0.000000\n-1.690980 2.928828 -0.000009\n-0.000000 -0.000111 38.353537\nTe Mo W Se\n2 2 2 6\ndirect\n0.333358 0.666716 0.706447 Te\n0.333355 0.666713 0.608544 Te\n0.333307 0.666614 0.093919 Mo\n0.666692 0.333384 0.657561 Mo\n0.333313 0.666626 0.469639 W\n0.666688 0.333376 0.281795 W\n0.333355 0.666710 0.325100 Se\n0.666637 0.333274 0.050918 Se\n0.666648 0.333296 0.426355 Se\n0.666646 0.333290 0.137033 Se\n0.666649 0.333297 0.512937 Se\n0.333353 0.666708 0.238498 Se\n",
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{
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"structure_string": "K2 Zr2 Cu2 S6\n1.0\n3.758286 -0.000000 0.000000\n-1.879143 6.976026 -0.000000\n-0.000000 -0.000000 9.820820\nK Zr Cu S\n2 2 2 6\ndirect\n0.255366 0.510731 0.250000 K\n0.744636 0.489270 0.750000 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.535927 0.071852 0.250000 Cu\n0.464075 0.928148 0.750000 Cu\n0.935467 0.870932 0.250000 S\n0.064535 0.129068 0.750000 S\n0.376183 0.752365 0.552125 S\n0.376183 0.752365 0.947875 S\n0.623819 0.247636 0.052125 S\n0.623819 0.247636 0.447875 S\n",
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{
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"created_at": "2022-09-04T14:35:51.723903Z",
"updated_at": "2022-09-04T14:35:51.723930Z",
"structure_string": "Na3 Li3 C3 O9\n1.0\n7.910079 -0.000000 -0.000000\n-3.955039 6.850329 0.000000\n0.000000 0.000000 4.560892\nNa Li C O\n3 3 3 9\ndirect\n0.666667 0.333333 0.000000 Na\n0.333333 0.666667 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.493998 0.506002 0.500000 Li\n0.012006 0.506002 0.500000 Li\n0.493998 0.987994 0.500000 Li\n0.000000 0.000000 0.000000 C\n0.666667 0.333333 0.500000 C\n0.333333 0.666667 0.500000 C\n0.644050 0.822025 0.000000 O\n0.488264 0.511736 0.000000 O\n0.177975 0.355950 0.000000 O\n0.905242 0.810483 0.000000 O\n0.023471 0.511736 0.000000 O\n0.905242 0.094759 0.000000 O\n0.488264 0.976529 0.000000 O\n0.177975 0.822025 0.000000 O\n0.189517 0.094759 0.000000 O\n",
"nsites": 18,
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{
"id": "jvasp-11114",
"created_at": "2022-09-04T14:37:32.927698Z",
"updated_at": "2022-09-04T14:37:32.927732Z",
"structure_string": "Sr2 Lu2 Cu2 S6\n1.0\n3.892563 0.000000 0.000000\n-1.946282 6.469782 0.000000\n0.000000 -0.000000 9.970818\nSr Lu Cu S\n2 2 2 6\ndirect\n0.251649 0.503300 0.750000 Sr\n0.748350 0.496700 0.250000 Sr\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.470712 0.941423 0.250000 Cu\n0.529288 0.058577 0.750000 Cu\n0.924413 0.848826 0.750000 S\n0.075587 0.151173 0.250000 S\n0.363670 0.727339 0.062151 S\n0.363670 0.727339 0.437849 S\n0.636329 0.272660 0.562151 S\n0.636329 0.272660 0.937849 S\n",
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{
"id": "jvasp-96184",
"created_at": "2022-09-04T14:36:06.567450Z",
"updated_at": "2022-09-04T14:36:06.567477Z",
"structure_string": "K2 Zr2 Cu2 Se6\n1.0\n3.901965 0.000000 0.000000\n-1.950982 7.258482 0.000000\n0.000000 0.000000 10.226029\nK Zr Cu Se\n2 2 2 6\ndirect\n0.748704 0.497409 0.750000 K\n0.251295 0.502591 0.250000 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.465415 0.930829 0.750000 Cu\n0.534585 0.069171 0.250000 Cu\n0.373516 0.747033 0.948275 Se\n0.931297 0.862596 0.250000 Se\n0.626483 0.252967 0.448275 Se\n0.626483 0.252967 0.051725 Se\n0.373516 0.747033 0.551725 Se\n0.068702 0.137403 0.750000 Se\n",
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{
"id": "jvasp-21878",
"created_at": "2022-09-04T14:37:32.771461Z",
"updated_at": "2022-09-04T14:37:32.771482Z",
"structure_string": "K2 U2 Cu2 S6\n1.0\n3.920916 0.000000 0.000000\n-1.960458 6.900107 0.000000\n0.000000 -0.000000 10.183573\nK U Cu S\n2 2 2 6\ndirect\n0.257567 0.515134 0.250000 K\n0.742434 0.484867 0.750000 K\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.464047 0.928095 0.750000 Cu\n0.535954 0.071906 0.250000 Cu\n0.372915 0.745830 0.559117 S\n0.627086 0.254170 0.440883 S\n0.627086 0.254170 0.059117 S\n0.062697 0.125393 0.750000 S\n0.937304 0.874608 0.250000 S\n0.372915 0.745830 0.940882 S\n",
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{
"id": "jvasp-24471",
"created_at": "2022-09-04T14:38:31.419562Z",
"updated_at": "2022-09-04T14:38:31.419588Z",
"structure_string": "Ba2 Er2 Ag2 S6\n1.0\n3.928065 0.000018 -0.909300\n-0.430790 8.320177 -1.861187\n0.007268 0.055289 8.970426\nBa Er Ag S\n2 2 2 6\ndirect\n0.864255 0.428212 0.728489 Ba\n0.135744 0.571789 0.271511 Ba\n0.163612 0.081060 0.327234 Er\n0.836387 0.918941 0.672766 Er\n0.520338 0.211230 0.040799 Ag\n0.479661 0.788771 0.959201 Ag\n0.324812 0.128703 0.649614 S\n0.675187 0.871298 0.350386 S\n0.322728 0.698109 0.645438 S\n0.677271 0.301892 0.354563 S\n0.499999 0.500000 -0.000000 S\n0.000000 0.000000 0.000000 S\n",
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{
"id": "jvasp-28670",
"created_at": "2022-09-04T14:37:32.498257Z",
"updated_at": "2022-09-04T14:37:32.498265Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.223463 -0.000000 -0.000000\n-1.611732 2.791594 -0.000039\n-0.000000 -0.000459 33.597525\nMo W Se S\n2 2 2 6\ndirect\n0.333291 0.666582 0.095798 Mo\n0.666666 0.333335 0.659319 Mo\n0.333374 0.666747 0.466782 W\n0.666667 0.333333 0.281016 W\n0.333342 0.666684 0.710193 Se\n0.333326 0.666653 0.608391 Se\n0.333335 0.666671 0.327589 S\n0.666613 0.333226 0.049510 S\n0.666697 0.333392 0.420212 S\n0.666637 0.333274 0.142125 S\n0.666716 0.333432 0.513371 S\n0.333330 0.666661 0.234444 S\n",
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{
"id": "jvasp-41970",
"created_at": "2022-09-04T14:37:32.433669Z",
"updated_at": "2022-09-04T14:37:32.433682Z",
"structure_string": "Ba2 Na2 H6 Pd2\n1.0\n3.032506 -5.252455 0.000000\n3.032506 5.252455 0.000000\n0.000000 0.000000 6.146438\nBa Na H Pd\n2 2 6 2\ndirect\n0.333334 0.666668 0.250000 Ba\n0.666668 0.333334 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.833208 0.166793 0.250000 H\n0.333588 0.166793 0.250000 H\n0.833208 0.666414 0.250000 H\n0.166793 0.333588 0.750000 H\n0.666414 0.833208 0.750000 H\n0.166793 0.833208 0.750000 H\n0.666668 0.333334 0.250000 Pd\n0.333334 0.666668 0.750000 Pd\n",
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{
"id": "jvasp-28982",
"created_at": "2022-09-04T14:37:32.567771Z",
"updated_at": "2022-09-04T14:37:32.567788Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.453266 -0.000000 0.000001\n-1.726633 2.990654 0.000025\n0.000014 0.000337 39.335739\nTe Mo W S\n6 2 2 2\ndirect\n0.333360 0.666720 0.704915 Te\n0.666642 0.333282 0.046786 Te\n0.666649 0.333296 0.422406 Te\n0.666643 0.333283 0.141145 Te\n0.666649 0.333296 0.516813 Te\n0.333354 0.666708 0.610173 Te\n0.333314 0.666626 0.093858 Mo\n0.333296 0.666593 0.469663 Mo\n0.666697 0.333396 0.281772 W\n0.666690 0.333379 0.657623 W\n0.333356 0.666712 0.319837 S\n0.333353 0.666705 0.243756 S\n",
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{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
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{
"id": "jvasp-35168",
"created_at": "2022-09-04T14:37:33.878775Z",
"updated_at": "2022-09-04T14:37:33.878803Z",
"structure_string": "Li2 Be2 B2 O6\n1.0\n4.639841 0.001593 0.003013\n2.267852 4.114677 -0.015198\n1.826048 1.498429 5.352627\nLi Be B O\n2 2 2 6\ndirect\n0.745700 0.127963 0.663418 Li\n0.254299 0.872038 0.336582 Li\n0.360050 0.727304 0.841728 Be\n0.639949 0.272697 0.158271 Be\n0.072147 0.403006 0.767233 B\n0.927853 0.596994 0.232767 B\n0.332695 0.099758 0.759517 O\n0.667304 0.900242 0.240482 O\n0.124803 0.690483 0.706552 O\n0.875197 0.309517 0.293448 O\n0.744800 0.422385 0.837957 O\n0.255200 0.577616 0.162042 O\n",
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"spacegroup": 2
}
]
}