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{
"id": "jvasp-28843",
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"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.444513 0.000009 -0.000051\n-1.722248 2.983061 -0.000002\n-0.000530 -0.000176 36.627874\nTe Mo W Se\n4 2 2 4\ndirect\n0.333400 0.666734 0.713386 Te\n0.666654 0.333334 0.413239 Te\n0.666695 0.333378 0.514755 Te\n0.333369 0.666721 0.611416 Te\n0.333343 0.666685 0.463995 Mo\n0.666647 0.333306 0.276856 Mo\n0.333286 0.666607 0.099614 W\n0.666722 0.333401 0.662456 W\n0.333332 0.666668 0.321527 Se\n0.666619 0.333279 0.054840 Se\n0.666630 0.333253 0.144440 Se\n0.333293 0.666629 0.232223 Se\n",
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{
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"updated_at": "2022-09-04T14:36:32.637232Z",
"structure_string": "Li5 Mn3 Cr2 O10\n1.0\n5.113462 0.007399 -0.012536\n-0.851569 5.068503 0.001974\n-2.401022 -2.246766 6.946290\nLi Mn Cr O\n5 3 2 10\ndirect\n0.082654 0.794324 0.583580 Li\n0.717360 0.607613 0.220276 Li\n0.501668 0.499479 0.500384 Li\n0.920630 0.204808 0.417114 Li\n0.286039 0.391353 0.780426 Li\n0.501721 0.999471 0.000365 Mn\n0.106550 0.306782 0.106681 Mn\n0.896899 0.692166 0.894054 Mn\n0.699495 0.099657 0.692697 Cr\n0.303927 0.899299 0.308040 Cr\n0.317588 0.133388 0.549414 O\n0.914485 0.926765 0.145708 O\n0.685835 0.865579 0.451318 O\n0.291443 0.673642 0.044117 O\n0.532396 0.769749 0.766862 O\n0.115019 0.550172 0.336102 O\n0.888397 0.448780 0.664627 O\n0.471060 0.229199 0.233879 O\n0.712012 0.325302 0.956623 O\n0.088960 0.072186 0.855018 O\n",
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{
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"updated_at": "2022-09-04T14:36:32.653979Z",
"structure_string": "Li1 Yb1 Cu2 P2\n1.0\n-1.995765 -3.456766 -0.000000\n-1.995765 3.456766 0.000000\n-0.000000 0.000000 -6.647981\nYb Li Cu P\n1 1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Li\n0.666668 0.333334 0.326420 Cu\n0.333334 0.666668 0.673580 Cu\n0.666668 0.333334 0.730571 P\n0.333334 0.666668 0.269429 P\n",
"nsites": 6,
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"volume": 91.7274137983644,
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"formula_full": "Li1 Yb1 Cu2 P2",
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{
"id": "jvasp-48345",
"created_at": "2022-09-04T14:36:32.683389Z",
"updated_at": "2022-09-04T14:36:32.683416Z",
"structure_string": "Li4 V2 Cr2 O8\n1.0\n5.769979 0.001550 -0.021288\n-0.001544 5.886689 -0.000157\n-2.868351 -2.944031 4.223167\nLi V Cr O\n4 2 2 8\ndirect\n0.505282 0.502348 0.010564 Li\n0.500153 -0.000135 0.499729 Li\n0.505283 0.008216 0.010565 Li\n-0.000418 -0.000131 0.499737 Li\n0.490365 0.500533 0.501068 V\n0.010702 0.500536 0.501067 V\n-0.002381 0.499223 -0.004762 Cr\n-0.002381 -0.003983 -0.004762 Cr\n0.242274 0.257563 0.015142 O\n0.237879 0.241994 0.475738 O\n0.237864 0.733745 0.475737 O\n0.230010 0.741569 0.983154 O\n0.772878 0.257589 0.015159 O\n0.759670 0.275586 0.519333 O\n0.759657 0.743749 0.519333 O\n0.753149 0.741596 0.983172 O\n",
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"elements": [
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"density_atomic": 0.11182383954417187,
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{
"id": "jvasp-102093",
"created_at": "2022-09-04T14:36:38.612198Z",
"updated_at": "2022-09-04T14:36:38.612227Z",
"structure_string": "Rb2 Li1 Y1 I6\n1.0\n7.226104 -0.000000 4.171993\n2.408702 6.812836 4.171993\n-0.000000 -0.000000 8.343985\nRb Li Y I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.746506 0.253494 0.253494 I\n0.253493 0.253494 0.746507 I\n0.253493 0.746507 0.746506 I\n0.253493 0.746507 0.253493 I\n0.746506 0.253494 0.746507 I\n0.746506 0.746507 0.253493 I\n",
"nsites": 10,
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"elements": [
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{
"id": "jvasp-101225",
"created_at": "2022-09-04T14:36:38.616438Z",
"updated_at": "2022-09-04T14:36:38.616487Z",
"structure_string": "Ca1 Fe1 Si2 Rh1\n1.0\n3.803844 0.013015 -4.236791\n-0.548530 3.764108 -4.236791\n-0.011217 -0.013015 5.693812\nCa Fe Si Rh\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.250000 0.499999 Fe\n0.631630 0.631630 -0.000001 Si\n0.368369 0.368369 -0.000000 Si\n0.249999 0.750001 0.500000 Rh\n",
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},
{
"id": "jvasp-102345",
"created_at": "2022-09-04T14:36:38.633254Z",
"updated_at": "2022-09-04T14:36:38.633272Z",
"structure_string": "Ce1 Cu1 Si2 Pd1\n1.0\n3.852752 -0.021854 -4.346903\n-0.570714 3.810309 -4.346903\n0.018933 0.021854 5.808519\nCe Cu Si Pd\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.750000 0.500001 Cu\n0.617743 0.617743 0.000001 Si\n0.382258 0.382258 0.000001 Si\n0.750000 0.250000 0.500000 Pd\n",
"nsites": 5,
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{
"id": "jvasp-102087",
"created_at": "2022-09-04T14:36:32.703347Z",
"updated_at": "2022-09-04T14:36:32.703361Z",
"structure_string": "Rb2 Na1 Lu1 Cl6\n1.0\n6.416325 0.000000 3.704467\n2.138775 6.049369 3.704467\n-0.000000 -0.000000 7.408934\nRb Na Lu Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Lu\n0.755854 0.244145 0.244146 Cl\n0.244145 0.244145 0.755855 Cl\n0.244144 0.755855 0.755855 Cl\n0.244144 0.755855 0.244146 Cl\n0.755854 0.244145 0.755855 Cl\n0.755854 0.755855 0.244146 Cl\n",
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{
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"updated_at": "2022-09-04T14:36:32.756644Z",
"structure_string": "K4 As4 O4 F16\n1.0\n5.043691 0.000000 -0.152915\n0.000000 5.744298 0.000000\n0.100669 0.000000 13.611186\nK As O F\n4 4 4 16\ndirect\n-0.008861 0.868515 0.652381 K\n0.508861 0.368514 0.847619 K\n0.008861 0.131486 0.347619 K\n0.491139 0.631486 0.152381 K\n0.570899 0.377666 0.581548 As\n0.429101 0.622334 0.418452 As\n0.070899 0.122334 0.081548 As\n0.929101 0.877666 0.918452 As\n0.709081 0.608924 0.505294 O\n0.790920 0.108924 0.994706 O\n0.290919 0.391076 0.494706 O\n0.209081 0.891076 0.005294 O\n0.573362 0.412812 0.334727 F\n0.737949 0.147936 0.517685 F\n0.762051 0.647936 0.982315 F\n0.262051 0.852064 0.482315 F\n0.425530 0.155815 0.655684 F\n0.926638 0.912812 0.165273 F\n0.074470 0.655815 0.844316 F\n0.925530 0.344185 0.155684 F\n0.852658 0.383082 0.665045 F\n0.647342 0.883082 0.834955 F\n0.237949 0.352064 0.017685 F\n0.352658 0.116918 0.165045 F\n0.426638 0.587188 0.665273 F\n0.073362 0.087188 0.834727 F\n0.574470 0.844185 0.344316 F\n0.147342 0.616918 0.334955 F\n",
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{
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"created_at": "2022-09-04T14:36:32.765027Z",
"updated_at": "2022-09-04T14:36:32.765052Z",
"structure_string": "Na4 Ca6 Si12 O32\n1.0\n6.842979 -0.042123 -2.451401\n-2.023460 9.969665 -1.092427\n-0.047264 0.015185 10.690653\nNa Ca Si O\n4 6 12 32\ndirect\n0.648122 0.418454 0.818163 Na\n0.603097 0.865104 0.520213 Na\n0.396903 0.134896 0.479786 Na\n0.351878 0.581545 0.181837 Na\n0.034634 0.878097 0.878220 Ca\n0.537309 0.867301 0.887247 Ca\n0.965366 0.121903 0.121780 Ca\n0.097416 0.849656 0.516991 Ca\n0.902585 0.150343 0.483009 Ca\n0.462691 0.132698 0.112752 Ca\n0.847251 0.683432 0.070727 Si\n0.751305 0.134715 0.769273 Si\n0.681165 0.870093 0.230419 Si\n0.248695 0.865285 0.230726 Si\n0.207276 0.586919 0.855268 Si\n0.612055 0.399693 0.358156 Si\n0.152750 0.316567 0.929272 Si\n0.318836 0.129907 0.769580 Si\n0.792725 0.413080 0.144731 Si\n0.183569 0.399972 0.373141 Si\n0.387945 0.600307 0.641843 Si\n0.816431 0.600027 0.626859 Si\n0.267509 0.741973 0.922021 O\n0.674228 0.975796 0.125539 O\n0.601617 0.559280 0.648790 O\n0.220726 0.482801 0.964968 O\n0.459644 0.815608 0.238793 O\n0.206397 0.250656 0.063456 O\n0.793603 0.749343 0.936544 O\n0.830415 0.930895 0.383475 O\n0.974551 0.542481 0.747840 O\n0.025450 0.457519 0.252159 O\n0.911820 0.281114 0.838267 O\n0.169586 0.069105 0.616524 O\n0.616283 0.242390 0.359056 O\n0.732491 0.258026 0.077979 O\n0.729176 0.087554 0.615511 O\n0.383717 0.757609 0.640943 O\n0.362459 0.552726 0.779203 O\n0.779274 0.517199 0.035032 O\n0.194781 0.974435 0.129203 O\n0.637541 0.447273 0.220797 O\n0.112126 0.241159 0.366935 O\n0.540357 0.184391 0.761206 O\n0.731590 0.729473 0.171256 O\n0.270825 0.912446 0.384488 O\n0.787814 0.504470 0.485033 O\n0.398383 0.440719 0.351210 O\n0.805219 0.025564 0.870797 O\n0.887875 0.758840 0.633064 O\n0.268410 0.270527 0.828744 O\n0.212187 0.495529 0.514966 O\n0.088180 0.718885 0.161732 O\n0.325772 0.024204 0.874460 O\n",
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"formula_full": "Na4 Ca6 Si12 O32",
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},
{
"id": "jvasp-103197",
"created_at": "2022-09-04T14:36:32.779871Z",
"updated_at": "2022-09-04T14:36:32.779898Z",
"structure_string": "Rb2 Hg1 Ru1 F6\n1.0\n5.800848 -0.000000 3.349121\n1.933616 5.469092 3.349121\n0.000000 0.000000 6.698243\nRb Hg Ru F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 Hg\n0.000000 0.000000 0.000000 Ru\n0.794577 0.205423 0.205423 F\n0.205424 0.205423 0.794576 F\n0.205424 0.794576 0.794576 F\n0.205424 0.794576 0.205423 F\n0.794577 0.205423 0.794576 F\n0.794578 0.794576 0.205423 F\n",
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}
]
}