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{
"id": "jvasp-56680",
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"updated_at": "2022-09-04T14:38:31.479081Z",
"structure_string": "Li1 Cr3 O8\n1.0\n4.975963 -0.020309 0.074448\n1.960636 4.573460 0.074448\n-0.009127 -0.005991 6.155099\nLi Cr O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.641841 0.641841 0.255290 Cr\n0.358159 0.358159 0.744710 Cr\n-0.000000 0.000000 0.500000 Cr\n0.740095 0.740095 0.028287 O\n0.259904 0.259905 0.971713 O\n0.780987 0.268659 0.270042 O\n0.219013 0.731341 0.729959 O\n0.771234 0.771234 0.458525 O\n0.268659 0.780987 0.270042 O\n0.228765 0.228765 0.541476 O\n0.731340 0.219013 0.729959 O\n",
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{
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"structure_string": "Dy2 Ti2 Cl2 O6\n1.0\n3.827293 0.000000 0.771797\n1.710449 4.798768 1.393544\n0.010691 0.041153 9.822551\nDy Ti Cl O\n2 2 2 6\ndirect\n0.778888 0.239876 0.202347 Dy\n0.221112 0.760123 0.797653 Dy\n0.618559 0.192404 0.570476 Ti\n0.381440 0.807596 0.429524 Ti\n0.112596 0.678493 0.096314 Cl\n0.887403 0.321507 0.903686 Cl\n0.167699 0.099369 0.565233 O\n0.578649 0.467957 0.374745 O\n0.648454 0.952206 0.750885 O\n0.351545 0.047794 0.249115 O\n0.832301 0.900630 0.434767 O\n0.421351 0.532042 0.625255 O\n",
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{
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"created_at": "2022-09-04T14:38:31.344392Z",
"updated_at": "2022-09-04T14:38:31.344401Z",
"structure_string": "Pr6 Ir1 Cl11\n1.0\n0.592563 0.000000 -7.353898\n-5.190106 -6.386789 -0.007702\n-5.190106 6.386789 -0.007702\nPr Ir Cl\n6 1 11\ndirect\n0.229679 0.705505 0.016451 Pr\n0.242004 0.198652 0.198652 Pr\n0.770321 0.983550 0.294495 Pr\n0.229679 0.016451 0.705505 Pr\n0.757996 0.801349 0.801349 Pr\n0.770321 0.294495 0.983550 Pr\n0.000000 0.000000 0.000000 Ir\n0.365566 0.688229 0.688229 Cl\n0.636689 0.095720 0.658245 Cl\n0.944893 0.793539 0.505992 Cl\n0.055108 0.206463 0.494009 Cl\n0.636689 0.658245 0.095720 Cl\n0.634434 0.311772 0.311772 Cl\n0.055108 0.494009 0.206463 Cl\n0.944893 0.505992 0.793539 Cl\n0.500000 0.000000 0.000000 Cl\n0.363311 0.904281 0.341758 Cl\n0.363311 0.341758 0.904281 Cl\n",
"nsites": 18,
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"elements": [
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"density": 4.861958840186576,
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{
"id": "jvasp-21503",
"created_at": "2022-09-04T14:38:31.376089Z",
"updated_at": "2022-09-04T14:38:31.376124Z",
"structure_string": "Ba1 Tm2 F8\n1.0\n4.219006 0.009947 -0.386729\n-0.801393 5.706217 -2.436338\n0.008842 -0.001317 6.256101\nBa Tm F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.324417 0.675583 Tm\n0.500001 0.675584 0.324417 Tm\n0.000001 0.737534 0.262466 F\n-0.000000 0.262466 0.737534 F\n0.225247 0.395005 0.395005 F\n0.437482 0.671124 0.953008 F\n0.562519 0.046992 0.328876 F\n0.562520 0.328876 0.046991 F\n0.437482 0.953009 0.671124 F\n0.774755 0.604995 0.604995 F\n",
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{
"id": "jvasp-29663",
"created_at": "2022-09-04T14:38:31.364418Z",
"updated_at": "2022-09-04T14:38:31.364452Z",
"structure_string": "Er6 I7\n1.0\n3.897859 -0.000000 0.686500\n1.263222 10.123584 4.236619\n0.017402 0.130040 11.310233\nEr I\n6 7\ndirect\n0.870563 0.712341 0.546533 Er\n0.685818 0.006792 0.621570 Er\n0.237318 0.728670 0.796693 Er\n0.314181 0.993208 0.378430 Er\n0.762681 0.271330 0.203308 Er\n0.129437 0.287660 0.453467 Er\n0.387355 0.160248 0.065041 I\n0.833879 0.500473 0.831766 I\n0.166120 0.499526 0.168233 I\n0.612644 0.839752 0.934959 I\n0.953023 0.834364 0.259591 I\n0.500000 0.500000 0.500000 I\n0.046977 0.165635 0.740409 I\n",
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"elements": [
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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",
"nsites": 12,
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"elements": [
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"density": 5.752562204600366,
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{
"id": "jvasp-30482",
"created_at": "2022-09-04T14:38:31.604905Z",
"updated_at": "2022-09-04T14:38:31.604930Z",
"structure_string": "K2 Dy4 Cu4 Se9\n1.0\n-0.000043 4.106605 -0.000015\n7.115342 -2.053378 0.019682\n-1.677556 -2.053229 -15.537343\nK Dy Cu Se\n2 4 4 9\ndirect\n0.234429 0.200403 0.268586 K\n0.765571 0.799598 0.731414 K\n0.872017 0.639740 0.104385 Dy\n0.098506 0.753194 0.443831 Dy\n0.901494 0.246805 0.556168 Dy\n0.127982 0.360259 0.895615 Dy\n0.490205 0.252051 0.727878 Cu\n0.396918 0.821494 0.971812 Cu\n0.603082 0.178505 0.028188 Cu\n0.509795 0.747949 0.272121 Cu\n0.475769 0.083322 0.868163 Se\n0.213116 0.349257 0.077258 Se\n0.524231 0.916676 0.131836 Se\n0.918198 0.559137 0.277596 Se\n0.697650 0.999565 0.395726 Se\n0.500000 0.500000 0.500000 Se\n0.302350 0.000434 0.604273 Se\n0.081803 0.440863 0.722405 Se\n0.786883 0.650741 0.922742 Se\n",
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{
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"created_at": "2022-09-04T14:38:31.846271Z",
"updated_at": "2022-09-04T14:38:31.846297Z",
"structure_string": "Ca2 As2 O7\n1.0\n4.923132 -0.004623 -0.590349\n-0.897549 5.596633 -1.577419\n-0.008128 0.011121 5.883533\nCa As O\n2 2 7\ndirect\n0.500000 0.694376 0.305623 Ca\n0.499999 0.305623 0.694376 Ca\n0.090179 0.771811 0.771811 As\n0.909820 0.228188 0.228188 As\n0.276617 0.915767 0.612435 O\n0.723382 0.387564 0.084232 O\n0.723382 0.084232 0.387564 O\n0.276617 0.612436 0.915767 O\n0.000000 0.000000 0.000000 O\n0.783186 0.616066 0.616065 O\n0.216813 0.383934 0.383934 O\n",
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{
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"created_at": "2022-09-04T14:38:32.028467Z",
"updated_at": "2022-09-04T14:38:32.028484Z",
"structure_string": "Mn6 O2 F10\n1.0\n-4.736059 4.736059 3.241860\n0.096690 4.807768 -3.205642\n-4.807768 -0.096690 -3.205642\nMn O F\n6 2 10\ndirect\n0.847730 0.678717 0.678717 Mn\n0.687805 0.334857 0.334857 Mn\n0.312196 0.665143 0.665143 Mn\n0.152271 0.321282 0.321282 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.966614 0.216414 0.216414 O\n0.033387 0.783586 0.783586 O\n0.663600 0.633985 0.036040 F\n0.336401 0.963960 0.366014 F\n0.375620 0.420832 0.420832 F\n0.706402 0.093386 0.093386 F\n0.663600 0.036040 0.633985 F\n0.293599 0.906614 0.906614 F\n0.336401 0.366014 0.963960 F\n0.000000 0.307091 0.692908 F\n0.624381 0.579168 0.579168 F\n0.000000 0.692908 0.307091 F\n",
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{
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"created_at": "2022-09-04T14:38:32.126386Z",
"updated_at": "2022-09-04T14:38:32.126430Z",
"structure_string": "Mg2 P2 O7\n1.0\n4.486866 0.006695 -0.662617\n-0.969431 5.031187 -1.274406\n0.006023 -0.015887 5.279816\nMg P O\n2 2 7\ndirect\n0.500000 0.688059 0.311940 Mg\n0.500000 0.311940 0.688059 Mg\n0.093320 0.779869 0.779869 P\n0.906680 0.220130 0.220130 P\n0.279519 0.926130 0.620806 O\n0.720481 0.379193 0.073869 O\n0.720481 0.073869 0.379193 O\n0.279519 0.620806 0.926130 O\n0.000000 0.000000 0.000000 O\n0.786625 0.618566 0.618566 O\n0.213375 0.381433 0.381433 O\n",
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{
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"created_at": "2022-09-04T14:38:32.601364Z",
"updated_at": "2022-09-04T14:38:32.601384Z",
"structure_string": "Li4 Co5 Ni1 O12\n1.0\n2.427857 4.217294 -0.407854\n-2.447860 4.216705 -0.203927\n-0.403313 -0.700574 9.656040\nLi Co Ni O\n4 5 1 12\ndirect\n0.245840 0.332785 0.741208 Li\n0.421376 0.332785 0.258792 Li\n0.578626 0.667215 0.741208 Li\n0.754162 0.667215 0.258793 Li\n0.164156 0.671690 0.500000 Co\n0.666649 0.666704 0.000000 Co\n0.333352 0.333296 0.000000 Co\n0.835845 0.328309 0.500000 Co\n0.500001 -0.000001 0.500000 Co\n0.000000 0.000000 0.000000 Ni\n0.965427 0.336918 0.895371 O\n0.371344 -0.000000 0.104606 O\n0.697656 0.336918 0.104630 O\n0.867572 0.660414 0.603624 O\n0.208312 -0.000000 0.606017 O\n0.034575 0.663082 0.104629 O\n0.472016 0.660414 0.396376 O\n0.132430 0.339585 0.396376 O\n0.302346 0.663081 0.895370 O\n0.628657 -0.000001 0.895394 O\n0.527986 0.339585 0.603624 O\n0.791689 -0.000001 0.393983 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:32.496818Z",
"updated_at": "2022-09-04T14:38:32.496847Z",
"structure_string": "Rb6 Fe2 O6\n1.0\n6.714635 0.011484 -0.859489\n-1.227353 6.126253 -2.756317\n0.009921 0.061442 6.828673\nRb Fe O\n6 2 6\ndirect\n0.000000 0.260843 0.739156 Rb\n0.000000 0.739157 0.260842 Rb\n0.500000 0.185812 0.814187 Rb\n0.500001 0.814186 0.185812 Rb\n0.344068 0.626237 0.626236 Rb\n0.655934 0.373762 0.373762 Rb\n0.854207 0.831330 0.831330 Fe\n0.145794 0.168668 0.168668 Fe\n0.266365 0.422008 0.154140 O\n0.733635 0.577990 0.845858 O\n0.154949 0.907232 0.907231 O\n0.266365 0.154140 0.422008 O\n0.733636 0.845858 0.577990 O\n0.845052 0.092767 0.092767 O\n",
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}
]
}