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{
"id": "jvasp-51122",
"created_at": "2022-09-04T14:36:56.316300Z",
"updated_at": "2022-09-04T14:36:56.316324Z",
"structure_string": "K1 Si1 Tc2\n1.0\n0.000000 3.221534 3.221534\n3.221534 0.000000 3.221534\n3.221534 3.221534 -0.000000\nK Si Tc\n1 1 2\ndirect\n0.499999 0.499999 0.499999 K\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Tc\n0.749999 0.749999 0.749999 Tc\n",
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{
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"structure_string": "K3 Si1\n1.0\n0.000000 4.183231 4.183231\n4.183231 -0.000000 4.183231\n4.183231 4.183231 0.000000\nK Si\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Si\n",
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{
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"structure_string": "K1 Si1\n1.0\n-3.369632 -3.369632 -0.000000\n-3.369632 -0.000000 -3.369632\n-0.000000 -3.369632 -3.369632\nK Si\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Si\n",
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{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
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"density_atomic": 0.03401667070410709,
"volume": 293.9735074894506,
"volume_molar": 17.703498418123857,
"formula_full": "K4 Zn2 Se4",
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{
"id": "jvasp-16387",
"created_at": "2022-09-04T14:38:18.220335Z",
"updated_at": "2022-09-04T14:38:18.220360Z",
"structure_string": "K1 Yb1 Se2\n1.0\n4.035418 -0.045104 6.826954\n1.832395 3.595687 6.826954\n-0.074540 -0.045104 7.930091\nYb K Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500002 0.499998 K\n0.263911 0.263911 0.263909 Se\n0.736090 0.736092 0.736087 Se\n",
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"density": 5.196457693929464,
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"volume": 118.25291386234922,
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{
"id": "jvasp-79233",
"created_at": "2022-09-04T14:37:10.288225Z",
"updated_at": "2022-09-04T14:37:10.288236Z",
"structure_string": "K1 Yb1 Se2\n1.0\n-2.127594 -3.685100 0.000000\n2.127594 -3.685100 0.000000\n0.000000 -2.456733 7.541081\nYb K Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 K\n0.263906 0.263906 0.208281 Se\n0.736094 0.736094 0.791719 Se\n",
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{
"id": "jvasp-97996",
"created_at": "2022-09-04T14:37:52.229230Z",
"updated_at": "2022-09-04T14:37:52.229243Z",
"structure_string": "K8 W4 Se16\n1.0\n7.142527 0.000000 0.000000\n-0.000000 9.744263 0.000000\n0.000000 0.000000 12.570350\nK W Se\n8 4 16\ndirect\n0.750000 0.552341 0.653081 K\n0.250000 0.447659 0.346919 K\n0.750000 0.052341 0.846919 K\n0.250000 0.947659 0.153081 K\n0.750000 0.839785 0.382396 K\n0.250000 0.160215 0.617604 K\n0.750000 0.339785 0.117604 K\n0.250000 0.660215 0.882396 K\n0.250000 0.249941 0.934667 W\n0.750000 0.250059 0.434667 W\n0.750000 0.750059 0.065333 W\n0.250000 0.749940 0.565333 W\n0.750000 0.484001 0.385823 Se\n0.750000 0.721370 0.880375 Se\n0.011490 0.640327 0.135996 Se\n0.250000 0.015999 0.885823 Se\n0.488510 0.140327 0.364004 Se\n0.988511 0.859673 0.635996 Se\n0.488510 0.640327 0.135996 Se\n0.511490 0.359673 0.864004 Se\n0.511490 0.859673 0.635996 Se\n0.011490 0.140327 0.364004 Se\n0.988511 0.359673 0.864004 Se\n0.750000 0.221370 0.619625 Se\n0.250000 0.278630 0.119625 Se\n0.250000 0.778629 0.380375 Se\n0.750000 0.984000 0.114177 Se\n0.250000 0.515999 0.614177 Se\n",
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"formula_full": "K8 W4 Se16",
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{
"id": "jvasp-39306",
"created_at": "2022-09-04T14:36:05.122326Z",
"updated_at": "2022-09-04T14:36:05.122361Z",
"structure_string": "K1 V5 Se8\n1.0\n3.672450 0.000363 0.000030\n-0.000554 8.912928 -0.000123\n-1.836253 -2.279142 9.018173\nK V Se\n1 5 8\ndirect\n0.500001 0.500000 0.000000 K\n0.000000 0.000000 0.000000 V\n0.651141 0.985445 0.302268 V\n0.711149 0.348631 0.422376 V\n0.288853 0.651369 0.577624 V\n0.348860 0.014555 0.697732 V\n0.572763 0.171687 0.145549 Se\n0.085869 0.815653 0.171704 Se\n0.161536 0.491939 0.323146 Se\n0.239337 0.157178 0.478697 Se\n0.760664 0.842822 0.521303 Se\n0.838466 0.508061 0.676854 Se\n0.914132 0.184347 0.828296 Se\n0.427238 0.828313 0.854451 Se\n",
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"volume": 295.1848490819184,
"volume_molar": 12.697462224219064,
"formula_full": "K1 V5 Se8",
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"spacegroup": 12
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{
"id": "jvasp-102433",
"created_at": "2022-09-04T14:36:52.470718Z",
"updated_at": "2022-09-04T14:36:52.470739Z",
"structure_string": "K3 V1 Se4\n1.0\n6.461439 -0.035028 -4.130033\n-1.955897 6.158400 -4.130033\n0.025773 0.035028 7.668553\nK V Se\n3 1 4\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 K\n0.249999 0.750000 0.500000 K\n0.000000 0.000000 0.000000 V\n0.295319 0.923549 0.000000 Se\n0.923549 0.295319 0.000000 Se\n0.704680 0.704681 0.628230 Se\n0.076451 0.076451 0.371770 Se\n",
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"volume": 306.499603467577,
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"formula_full": "K3 V1 Se4",
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"spacegroup": 121
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{
"id": "jvasp-38524",
"created_at": "2022-09-04T14:38:01.176673Z",
"updated_at": "2022-09-04T14:38:01.176691Z",
"structure_string": "K1 Ti5 Se8\n1.0\n0.000000 3.602356 0.000000\n-2.257801 0.000000 8.857371\n9.429486 -1.801178 -0.025269\nK Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ti\n0.653479 0.994899 0.306961 Ti\n0.708349 0.348983 0.416700 Ti\n0.291651 0.651017 0.583300 Ti\n0.346520 0.005101 0.693040 Ti\n0.573504 0.176058 0.147011 Se\n0.085915 0.816152 0.171829 Se\n0.160778 0.500098 0.321556 Se\n0.241682 0.162123 0.483364 Se\n0.758317 0.837878 0.516636 Se\n0.839221 0.499901 0.678445 Se\n0.914085 0.183849 0.828172 Se\n0.426495 0.823942 0.852989 Se\n",
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"elements": [
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{
"id": "jvasp-58872",
"created_at": "2022-09-04T14:37:01.104291Z",
"updated_at": "2022-09-04T14:37:01.104313Z",
"structure_string": "K8 Te4 Se12\n1.0\n0.000000 10.056269 0.034557\n6.570818 0.000000 0.000000\n0.000000 -3.475154 -12.636033\nK Te Se\n8 4 12\ndirect\n0.490020 0.254651 0.374449 K\n0.509980 0.754651 0.125551 K\n0.509981 0.745349 0.625551 K\n0.490020 0.245349 0.874449 K\n0.834018 0.760350 0.451539 K\n0.165982 0.260350 0.048461 K\n0.165982 0.239650 0.548461 K\n0.834018 0.739650 0.951539 K\n0.790232 0.218005 0.666518 Te\n0.209769 0.718005 0.833481 Te\n0.209768 0.781995 0.333482 Te\n0.790232 0.281995 0.166518 Te\n0.847006 0.843241 0.704565 Se\n0.472286 0.756649 0.367853 Se\n0.527714 0.256649 0.132147 Se\n0.527714 0.243351 0.632146 Se\n0.472286 0.743351 0.867853 Se\n0.175158 0.760610 0.017699 Se\n0.824843 0.260610 0.482300 Se\n0.824843 0.239390 0.982300 Se\n0.175158 0.739391 0.517699 Se\n0.152995 0.156759 0.295434 Se\n0.847006 0.656759 0.204565 Se\n0.152995 0.343241 0.795434 Se\n",
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{
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"created_at": "2022-09-04T14:36:49.336870Z",
"updated_at": "2022-09-04T14:36:49.336891Z",
"structure_string": "K8 Te4 Se12\n1.0\n0.000000 10.054546 0.033023\n6.571257 0.000000 0.000000\n0.000000 -3.472624 -12.637983\nK Te Se\n8 4 12\ndirect\n0.489926 0.254713 0.374481 K\n0.510075 0.754713 0.125520 K\n0.510075 0.745287 0.625519 K\n0.489926 0.245287 0.874480 K\n0.834090 0.760488 0.451422 K\n0.165910 0.260488 0.048578 K\n0.165910 0.239512 0.548578 K\n0.834091 0.739512 0.951422 K\n0.790197 0.218084 0.666418 Te\n0.209804 0.718084 0.833582 Te\n0.209803 0.781916 0.333582 Te\n0.790197 0.281916 0.166418 Te\n0.847090 0.843386 0.704463 Se\n0.472333 0.756727 0.367849 Se\n0.527668 0.256727 0.132151 Se\n0.527668 0.243273 0.632151 Se\n0.472333 0.743273 0.867849 Se\n0.175254 0.760733 0.017810 Se\n0.824746 0.260733 0.482190 Se\n0.824746 0.239267 0.982190 Se\n0.175254 0.739267 0.517810 Se\n0.152911 0.156614 0.295537 Se\n0.847089 0.656614 0.204463 Se\n0.152911 0.343386 0.795537 Se\n",
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}
]
}