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"results": [
{
"id": "jvasp-50507",
"created_at": "2022-09-04T14:37:06.042297Z",
"updated_at": "2022-09-04T14:37:06.042315Z",
"structure_string": "Tm4 As4 O16\n1.0\n0.000000 6.651686 0.035777\n6.917724 0.000000 0.000000\n0.000000 -4.849616 -6.397135\nTm As O\n4 4 16\ndirect\n0.805566 0.858510 0.224501 Tm\n0.194434 0.358511 0.275498 Tm\n0.805565 0.641489 0.724500 Tm\n0.194434 0.141489 0.775498 Tm\n0.313311 0.841744 0.201576 As\n0.686689 0.341744 0.298424 As\n0.313310 0.658255 0.701575 As\n0.686688 0.158255 0.798423 As\n0.883221 0.354895 0.901906 O\n0.153741 0.491279 0.740047 O\n0.374697 0.212550 0.601644 O\n0.846258 0.991279 0.759951 O\n0.116777 0.854895 0.598092 O\n0.361931 0.601934 0.519524 O\n0.638068 0.398066 0.480475 O\n0.846258 0.508721 0.259952 O\n0.153741 0.008721 0.240048 O\n0.625302 0.787450 0.398354 O\n0.625301 0.712550 0.898354 O\n0.116778 0.645104 0.098092 O\n0.374698 0.287450 0.101645 O\n0.361932 0.898066 0.019524 O\n0.883222 0.145104 0.401907 O\n0.638068 0.101934 0.980475 O\n",
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{
"id": "jvasp-21588",
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"updated_at": "2022-09-04T14:37:06.064463Z",
"structure_string": "Sr4 Sc2 Ir2 O12\n1.0\n0.000000 5.695163 0.005457\n5.669969 0.000000 0.000000\n0.000000 -5.675597 -8.033133\nSr Sc Ir O\n4 2 2 12\ndirect\n0.746585 0.481531 0.249577 Sr\n0.253413 0.518469 0.750422 Sr\n0.253414 0.981532 0.250423 Sr\n0.746584 0.018469 0.749577 Sr\n0.000000 0.500000 0.000000 Sc\n-0.000000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n0.740743 0.719478 0.472603 O\n0.259256 0.219478 0.027397 O\n0.308783 0.730881 0.027417 O\n0.691216 0.230880 0.472582 O\n0.691215 0.269120 0.972582 O\n0.796562 0.005499 0.243829 O\n0.203436 0.994502 0.756170 O\n0.796562 0.494502 0.743829 O\n0.740742 0.780522 0.972603 O\n0.203436 0.505499 0.256170 O\n0.308782 0.769120 0.527417 O\n0.259255 0.280522 0.527397 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.07715290849573397,
"volume": 259.22548339322634,
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"formula_full": "Sr4 Sc2 Ir2 O12",
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"spacegroup": 14
},
{
"id": "jvasp-52308",
"created_at": "2022-09-04T14:37:06.134410Z",
"updated_at": "2022-09-04T14:37:06.134436Z",
"structure_string": "Li4 Cu4 F12\n1.0\n0.000000 3.256619 -0.021623\n9.699901 0.000000 0.000000\n0.000000 -2.109764 -7.303570\nLi Cu F\n4 4 12\ndirect\n-0.008614 0.309274 0.016898 Li\n0.008614 0.809274 0.483102 Li\n-0.008613 0.190726 0.516897 Li\n0.008615 0.690725 0.983102 Li\n0.317454 0.997348 0.188657 Cu\n0.682546 0.497348 0.311343 Cu\n0.317455 0.502652 0.688657 Cu\n0.682547 0.002652 0.811343 Cu\n0.146421 0.381266 0.470618 F\n0.853580 0.881266 0.029381 F\n0.173220 0.902208 0.705986 F\n0.442782 0.638804 0.873880 F\n0.557219 0.361196 0.126119 F\n0.557220 0.138804 0.626119 F\n0.146421 0.118734 0.970618 F\n0.853580 0.618734 0.529381 F\n0.442781 0.861196 0.373880 F\n0.173219 0.597792 0.205986 F\n0.826781 0.097792 0.294014 F\n0.826782 0.402208 0.794014 F\n",
"nsites": 20,
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"elements": [
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],
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"density": 3.663169746183362,
"density_atomic": 0.08652236228149433,
"volume": 231.15411406511797,
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"formula_full": "Li4 Cu4 F12",
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},
{
"id": "jvasp-29748",
"created_at": "2022-09-04T14:37:06.445103Z",
"updated_at": "2022-09-04T14:37:06.445128Z",
"structure_string": "Bi4 Br12\n1.0\n6.763950 0.123816 0.000000\n-2.686117 7.598949 0.000000\n0.000000 0.000000 9.783985\nBi Br\n4 12\ndirect\n0.011738 0.139644 0.793829 Bi\n0.988262 0.360356 0.293829 Bi\n0.988262 0.860356 0.206171 Bi\n0.011737 0.639644 0.706171 Bi\n0.331191 0.958155 0.759667 Br\n0.668809 0.541845 0.259667 Br\n0.668809 0.041845 0.240332 Br\n0.774760 0.832096 0.586337 Br\n0.774760 0.332096 0.913662 Br\n0.331191 0.458155 0.740332 Br\n0.225240 0.167905 0.413663 Br\n0.216360 0.193418 0.056296 Br\n0.783640 0.306582 0.556296 Br\n0.216360 0.693419 0.443703 Br\n0.225240 0.667905 0.086337 Br\n0.783640 0.806582 0.943703 Br\n",
"nsites": 16,
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"elements": [
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],
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"density": 5.888260182158157,
"density_atomic": 0.031611796108615926,
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{
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"created_at": "2022-09-04T14:37:06.573576Z",
"updated_at": "2022-09-04T14:37:06.573592Z",
"structure_string": "P8 N8 F16\n1.0\n4.762138 0.003412 0.000000\n-2.279769 6.831396 0.000000\n0.000000 0.000000 13.588423\nP N F\n8 8 16\ndirect\n0.073452 0.691762 0.620063 P\n0.651588 0.795311 0.926297 P\n0.926548 0.308238 0.379936 P\n0.073452 0.191762 0.879936 P\n0.348412 0.704689 0.426297 P\n0.348412 0.204689 0.073703 P\n0.651588 0.295311 0.573703 P\n0.926548 0.808238 0.120063 P\n0.282069 0.769203 0.530609 N\n0.717932 0.730798 0.030609 N\n0.802945 0.502722 0.616031 N\n0.717932 0.230798 0.469391 N\n0.282069 0.269202 0.969391 N\n0.802945 0.002722 0.883968 N\n0.197055 0.497278 0.383968 N\n0.197055 0.997278 0.116031 N\n0.324254 0.860788 0.350388 F\n0.041690 0.639915 0.155178 F\n0.958310 0.360085 0.844821 F\n0.270255 0.681420 0.710396 F\n0.675746 0.139212 0.649612 F\n0.041690 0.139915 0.344822 F\n0.958310 0.860086 0.655178 F\n0.729746 0.818580 0.210397 F\n0.324254 0.360788 0.149612 F\n0.270255 0.181420 0.789603 F\n0.729746 0.318580 0.289603 F\n0.690393 0.240690 0.079379 F\n0.690393 0.740690 0.420620 F\n0.675747 0.639213 0.850388 F\n0.309607 0.259310 0.579379 F\n0.309607 0.759310 0.920620 F\n",
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"density_atomic": 0.07237117994738451,
"volume": 442.16496156708683,
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},
{
"id": "jvasp-12977",
"created_at": "2022-09-04T14:37:06.693854Z",
"updated_at": "2022-09-04T14:37:06.693884Z",
"structure_string": "Pd2 Pb4 Br12\n1.0\n0.000000 8.362248 0.009271\n6.711787 0.000000 0.000000\n0.000000 -0.131217 -9.543643\nPd Pb Br\n2 4 12\ndirect\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.383336 0.956922 0.722967 Pb\n0.116664 0.456922 0.277033 Pb\n0.616664 0.043078 0.277033 Pb\n0.883336 0.543078 0.722967 Pb\n0.026271 0.116217 0.754533 Br\n0.473729 0.616217 0.245467 Br\n0.973729 0.883783 0.245467 Br\n0.526271 0.383783 0.754533 Br\n0.345372 0.194720 0.053956 Br\n0.825984 0.352708 0.440561 Br\n0.674015 0.852708 0.559439 Br\n0.654627 0.805281 0.946044 Br\n0.325984 0.147292 0.440561 Br\n0.174015 0.647293 0.559439 Br\n0.154627 0.694720 0.946044 Br\n0.845372 0.305280 0.053956 Br\n",
"nsites": 18,
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"elements": [
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],
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"density": 6.201778826853014,
"density_atomic": 0.033604986946727866,
"volume": 535.6347862456964,
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"formula_full": "Pd2 Pb4 Br12",
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"spacegroup": 14
},
{
"id": "jvasp-9150",
"created_at": "2022-09-04T14:37:07.101593Z",
"updated_at": "2022-09-04T14:37:07.101612Z",
"structure_string": "Mg2 P8\n1.0\n0.000000 5.177277 0.016382\n5.123506 0.000000 0.000000\n0.000000 -1.152457 -7.514633\nMg P\n2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n-0.000000 0.500000 0.500000 Mg\n0.249894 0.294698 0.253453 P\n0.750107 0.794698 0.246547 P\n0.750106 0.705303 0.746547 P\n0.249893 0.205303 0.753453 P\n0.395410 0.888365 0.598242 P\n0.604589 0.388365 0.901757 P\n0.604590 0.111636 0.401758 P\n0.395411 0.611636 0.098242 P\n",
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"volume": 199.23499598248247,
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},
{
"id": "jvasp-10192",
"created_at": "2022-09-04T14:37:06.753855Z",
"updated_at": "2022-09-04T14:37:06.753874Z",
"structure_string": "Li8 As8\n1.0\n0.000000 5.804052 0.011798\n5.229165 0.000000 0.000000\n0.000000 -5.053888 -9.555579\nLi As\n8 8\ndirect\n0.227241 0.169011 0.556103 Li\n0.772758 0.669011 0.943897 Li\n0.772758 0.830990 0.443897 Li\n0.227242 0.330990 0.056103 Li\n0.238622 0.919960 0.833362 Li\n0.761377 0.419959 0.666638 Li\n0.761377 0.080041 0.166638 Li\n0.238622 0.580042 0.333362 Li\n0.285305 0.668587 0.598228 As\n0.714694 0.168586 0.901772 As\n0.714694 0.331414 0.401772 As\n0.285305 0.831415 0.098228 As\n0.298581 0.429189 0.802302 As\n0.701418 0.929190 0.697698 As\n0.701418 0.570812 0.197698 As\n0.298581 0.070811 0.302302 As\n",
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{
"id": "jvasp-10686",
"created_at": "2022-09-04T14:37:06.819305Z",
"updated_at": "2022-09-04T14:37:06.819330Z",
"structure_string": "Nd4 Cu4 S8\n1.0\n0.000000 6.498737 0.009086\n7.218368 0.000000 0.000000\n0.000000 -0.912183 -6.838782\nNd Cu S\n4 4 8\ndirect\n0.809360 0.950051 0.199456 Nd\n0.190641 0.450051 0.300543 Nd\n0.190641 0.049949 0.800543 Nd\n0.809360 0.549949 0.699456 Nd\n0.426105 0.663260 0.950927 Cu\n0.573896 0.336740 0.049072 Cu\n0.573896 0.163260 0.549072 Cu\n0.426105 0.836740 0.450927 Cu\n0.084161 0.725838 0.999774 S\n0.915840 0.225838 0.500225 S\n0.915839 0.274162 0.000226 S\n0.084161 0.774163 0.499774 S\n0.407426 0.113341 0.220346 S\n0.407426 0.386659 0.720346 S\n0.592575 0.886659 0.779653 S\n0.592575 0.613342 0.279653 S\n",
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{
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"updated_at": "2022-09-04T14:37:07.015643Z",
"structure_string": "Yb8 S8 O4\n1.0\n0.000000 7.632895 0.039835\n6.527318 0.000000 0.000000\n0.000000 -1.439889 -7.844788\nYb S O\n8 8 4\ndirect\n0.774621 0.030861 0.842259 Yb\n0.725378 0.530861 0.157743 Yb\n0.225379 0.969139 0.157742 Yb\n0.274621 0.469139 0.842258 Yb\n0.640663 0.146422 0.414064 Yb\n0.859336 0.646422 0.585938 Yb\n0.359336 0.853578 0.585937 Yb\n0.140663 0.353578 0.414063 Yb\n0.461440 0.560945 0.371444 S\n0.038559 0.060945 0.628557 S\n0.538559 0.439055 0.628557 S\n0.961440 0.939055 0.371444 S\n0.003161 0.337926 0.027747 S\n0.503161 0.162074 0.027747 S\n0.496839 0.837926 0.972254 S\n0.996839 0.662075 0.972254 S\n0.846476 0.413788 0.383978 O\n0.153523 0.586212 0.616023 O\n0.346476 0.086212 0.383977 O\n0.653523 0.913788 0.616024 O\n",
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{
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"created_at": "2022-09-04T14:37:06.872970Z",
"updated_at": "2022-09-04T14:37:06.872983Z",
"structure_string": "Ti4 O4 F4\n1.0\n0.000000 5.152820 -0.023470\n4.715846 0.000000 0.000000\n0.000000 -0.184049 -5.706878\nTi O F\n4 4 4\ndirect\n0.216146 0.514479 0.641813 Ti\n0.216146 0.985522 0.141813 Ti\n0.783854 0.014479 0.858187 Ti\n0.783854 0.485522 0.358187 Ti\n0.090445 0.763716 0.873008 O\n0.090445 0.736285 0.373008 O\n0.909555 0.263716 0.626993 O\n0.909555 0.236284 0.126993 O\n0.417068 0.231619 0.877277 F\n0.417068 0.268381 0.377276 F\n0.582932 0.731620 0.622724 F\n0.582932 0.768382 0.122724 F\n",
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{
"id": "jvasp-21326",
"created_at": "2022-09-04T14:37:06.913699Z",
"updated_at": "2022-09-04T14:37:06.913709Z",
"structure_string": "Zn4 Cu2 W2 O12\n1.0\n0.000000 5.001263 0.007954\n5.107185 0.000000 0.000000\n0.000000 -4.888541 -8.571515\nZn Cu W O\n4 2 2 12\ndirect\n0.255090 0.973341 0.263319 Zn\n0.744911 0.473341 0.236682 Zn\n0.744911 0.026660 0.736682 Zn\n0.255090 0.526660 0.763319 Zn\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.661669 0.116522 0.300939 O\n0.338331 0.616523 0.199062 O\n0.725817 0.691907 0.045447 O\n0.274184 0.191907 0.454554 O\n0.274184 0.308094 0.954554 O\n0.918522 0.198962 0.103207 O\n0.081479 0.801039 0.896794 O\n0.918522 0.301039 0.603207 O\n0.338332 0.883479 0.699062 O\n0.081478 0.698962 0.396794 O\n0.725817 0.808094 0.545447 O\n0.661669 0.383478 0.800939 O\n",
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],
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}
]
}