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{
"id": "jvasp-38381",
"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",
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{
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"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",
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"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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{
"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-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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"formula_full": "K2 Dy4 Cu4 Se9",
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{
"id": "jvasp-10010",
"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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"volume": 162.14969686135376,
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"formula_full": "Ca2 As2 O7",
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{
"id": "jvasp-44364",
"created_at": "2022-09-04T14:38:08.664517Z",
"updated_at": "2022-09-04T14:38:08.664540Z",
"structure_string": "Li3 Mn4 Ni1 O8\n1.0\n0.061187 3.149165 -5.002554\n1.781251 -2.597717 -5.002554\n-5.138691 1.592822 -2.428324\nLi Mn Ni O\n3 4 1 8\ndirect\n-0.000000 -0.000000 0.500000 Li\n0.500000 -0.000001 0.499999 Li\n0.500000 0.499999 0.499999 Li\n-0.000001 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.499999 -0.000000 Ni\n0.456974 0.250131 0.793157 O\n0.994553 0.264349 0.763408 O\n0.500941 0.757960 0.763408 O\n0.025641 0.750505 0.724862 O\n0.974358 0.249494 0.275136 O\n0.499059 0.242039 0.236591 O\n0.005446 0.735650 0.236591 O\n0.543025 0.749867 0.206842 O\n",
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{
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"updated_at": "2022-09-04T14:38:08.626244Z",
"structure_string": "Li4 V1 Cr3 O8\n1.0\n-5.026554 0.000112 -0.000841\n-0.000277 -5.807134 -0.000717\n1.681202 2.902745 4.818282\nLi V Cr O\n4 1 3 8\ndirect\n0.005295 0.752205 0.004395 Li\n0.994705 0.247793 0.995604 Li\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.500000 0.499999 0.500000 V\n-0.000006 0.252994 0.500003 Cr\n0.000006 0.747004 0.499996 Cr\n0.500000 -0.000000 0.500000 Cr\n0.758984 0.382578 0.265139 O\n0.758231 0.888382 0.276745 O\n0.255583 0.132759 0.268234 O\n0.744417 0.867239 0.731765 O\n0.744414 0.364505 0.731772 O\n0.241016 0.617420 0.734860 O\n0.255586 0.635493 0.268228 O\n0.241769 0.111617 0.723254 O\n",
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"formula_full": "Li4 V1 Cr3 O8",
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{
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"created_at": "2022-09-04T14:37:51.320219Z",
"updated_at": "2022-09-04T14:37:51.320238Z",
"structure_string": "Ti2 Co1 S4\n1.0\n0.000000 3.379135 -0.000000\n0.018927 -0.000000 5.839505\n5.545135 -1.689568 -2.874506\nTi Co S\n2 1 4\ndirect\n0.257319 0.265893 0.514637 Ti\n0.742682 0.734105 0.485363 Ti\n0.000000 0.000000 0.000000 Co\n0.114268 0.443087 0.228535 S\n0.885733 0.556911 0.771465 S\n0.379843 0.039645 0.759686 S\n0.620157 0.960353 0.240313 S\n",
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{
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"created_at": "2022-09-04T14:37:51.428415Z",
"updated_at": "2022-09-04T14:37:51.428440Z",
"structure_string": "Sn4 O2 F4\n1.0\n5.168929 -0.003688 0.535000\n0.559268 6.008119 0.887849\n0.015642 0.034496 6.098944\nSn O F\n4 2 4\ndirect\n0.500000 0.709445 0.290555 Sn\n0.500000 0.290555 0.709445 Sn\n0.010156 0.786943 0.786942 Sn\n0.989844 0.213057 0.213058 Sn\n0.305129 0.609869 0.609868 O\n0.694871 0.390132 0.390131 O\n0.201106 0.137537 0.514449 F\n0.798894 0.862463 0.485550 F\n0.201107 0.514450 0.137537 F\n0.798893 0.485551 0.862462 F\n",
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{
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"created_at": "2022-09-04T14:37:51.714307Z",
"updated_at": "2022-09-04T14:37:51.714324Z",
"structure_string": "Ba3 Ho2 Cu2 Pt1 O10\n1.0\n5.846553 0.000000 0.000000\n-2.923277 6.043768 -1.709745\n0.000000 -0.014141 7.445705\nBa Ho Cu Pt O\n3 2 2 1 10\ndirect\n0.846874 0.693749 0.458920 Ba\n0.000000 0.000000 0.000000 Ba\n0.153126 0.306251 0.541080 Ba\n0.311264 0.622528 0.125916 Ho\n0.688735 0.377473 0.874084 Ho\n0.589204 0.178407 0.198640 Cu\n0.410796 0.821594 0.801360 Cu\n0.500000 0.000000 0.500000 Pt\n0.667192 0.334383 0.551057 O\n0.298358 0.038027 0.719677 O\n0.455320 0.368657 0.126376 O\n0.913336 0.368657 0.126376 O\n0.701641 0.961973 0.280324 O\n0.332808 0.665617 0.448943 O\n0.544679 0.631343 0.873625 O\n0.739670 0.038027 0.719677 O\n0.086663 0.631343 0.873625 O\n0.260330 0.961973 0.280324 O\n",
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"formula_full": "Ba3 Ho2 Cu2 Pt1 O10",
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{
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"created_at": "2022-09-04T14:37:51.446730Z",
"updated_at": "2022-09-04T14:37:51.446753Z",
"structure_string": "Ca2 C4\n1.0\n3.812333 0.000000 0.000000\n-1.906167 3.403787 -1.074783\n0.000000 0.071092 7.414763\nCa C\n2 4\ndirect\n0.797280 0.594562 0.753334 Ca\n0.202719 0.405438 0.246666 Ca\n0.079449 0.158899 0.564612 C\n0.920550 0.841102 0.435388 C\n0.452280 0.904561 0.058886 C\n0.547719 0.095439 0.941114 C\n",
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"formula_full": "Ca2 C4",
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}
]
}