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{
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{
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"structure_string": "Rb16 Bi16\n1.0\n7.508875 0.000000 0.000000\n0.000000 12.800956 -5.539353\n0.000000 -0.078617 14.806529\nRb Bi\n16 16\ndirect\n0.131515 0.550201 0.847566 Rb\n0.629856 0.359391 0.880602 Rb\n0.870143 0.859392 0.880602 Rb\n0.370143 0.640609 0.119398 Rb\n0.301427 0.033508 0.394197 Rb\n0.801427 0.466492 0.605803 Rb\n0.698572 0.966492 0.605803 Rb\n0.198572 0.533508 0.394197 Rb\n0.129856 0.140609 0.119398 Rb\n0.575417 0.311556 0.344437 Rb\n0.924582 0.811556 0.344437 Rb\n0.424583 0.688444 0.655564 Rb\n0.368484 0.050201 0.847566 Rb\n0.868484 0.449799 0.152434 Rb\n0.631515 0.949799 0.152434 Rb\n0.075417 0.188444 0.655563 Rb\n0.354187 0.816926 0.928207 Bi\n0.854187 0.683075 0.071793 Bi\n0.382802 0.365635 0.109863 Bi\n0.882802 0.134365 0.890137 Bi\n0.617197 0.634365 0.890137 Bi\n0.117197 0.865635 0.109863 Bi\n0.065846 0.269786 0.393977 Bi\n0.434153 0.769787 0.393977 Bi\n0.934153 0.730214 0.606023 Bi\n0.296603 0.384822 0.577195 Bi\n0.796603 0.115178 0.422805 Bi\n0.703396 0.615178 0.422805 Bi\n0.203396 0.884823 0.577195 Bi\n0.145812 0.316926 0.928207 Bi\n0.565846 0.230213 0.606023 Bi\n0.645812 0.183074 0.071793 Bi\n",
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{
"id": "jvasp-96132",
"created_at": "2022-09-04T14:35:52.192547Z",
"updated_at": "2022-09-04T14:35:52.192572Z",
"structure_string": "H12 N4 O16\n1.0\n5.482903 0.000000 0.000000\n0.000000 8.678213 0.000000\n0.000000 0.000000 6.127824\nH N O\n12 4 16\ndirect\n0.588818 0.136244 0.884841 H\n0.342174 0.252563 0.913602 H\n0.626547 0.327974 0.879018 H\n0.842173 0.747437 0.086397 H\n0.126547 0.672026 0.120981 H\n0.088818 0.863755 0.115159 H\n0.842173 0.752563 0.586397 H\n0.126547 0.827974 0.620981 H\n0.088818 0.636244 0.615158 H\n0.626547 0.172026 0.379019 H\n0.588818 0.363755 0.384841 H\n0.342174 0.247437 0.413602 H\n0.518544 0.906036 0.700951 N\n0.018545 0.093964 0.299048 N\n0.018545 0.406036 0.799048 N\n0.518544 0.593964 0.200951 N\n0.025666 0.760406 0.054143 O\n0.525666 0.239594 0.945856 O\n0.062190 0.222165 0.389629 O\n0.562190 0.777835 0.610371 O\n0.562190 0.722165 0.110371 O\n0.062190 0.277835 0.889629 O\n0.191864 0.015212 0.219402 O\n0.691864 0.984788 0.780597 O\n0.191864 0.484788 0.719402 O\n0.801271 0.044177 0.287693 O\n0.301271 0.955823 0.712306 O\n0.301271 0.544177 0.212307 O\n0.801271 0.455823 0.787693 O\n0.025666 0.739594 0.554143 O\n0.691864 0.515212 0.280598 O\n0.525666 0.260406 0.445856 O\n",
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{
"id": "jvasp-98039",
"created_at": "2022-09-04T14:35:55.654731Z",
"updated_at": "2022-09-04T14:35:55.654761Z",
"structure_string": "Ho20 Co4 Sb8\n1.0\n7.809479 -0.000000 0.000000\n-0.000000 8.698904 0.000000\n0.000000 0.000000 12.072102\nHo Co Sb\n20 4 8\ndirect\n0.153968 0.750000 0.797202 Ho\n0.322129 0.461673 0.564774 Ho\n0.822129 0.538327 0.935226 Ho\n0.677871 0.961673 0.435226 Ho\n0.177871 0.038327 0.064774 Ho\n0.177871 0.461673 0.064774 Ho\n0.322129 0.038327 0.564774 Ho\n0.822129 0.961673 0.935226 Ho\n0.879122 0.750000 0.192854 Ho\n0.379122 0.250000 0.307146 Ho\n0.677871 0.538327 0.435226 Ho\n0.620878 0.750000 0.692854 Ho\n0.048439 0.750000 0.502108 Ho\n0.548439 0.250000 0.997891 Ho\n0.951561 0.250000 0.497892 Ho\n0.451561 0.750000 0.002108 Ho\n0.346032 0.750000 0.297202 Ho\n0.846032 0.250000 0.202798 Ho\n0.653968 0.250000 0.702798 Ho\n0.120878 0.250000 0.807146 Ho\n0.069613 0.750000 0.010197 Co\n0.569613 0.250000 0.489803 Co\n0.930387 0.250000 0.989803 Co\n0.430387 0.750000 0.510196 Co\n0.928477 0.508422 0.673185 Sb\n0.928477 0.991577 0.673185 Sb\n0.428477 0.008422 0.826815 Sb\n0.071523 0.491577 0.326815 Sb\n0.571523 0.508422 0.173185 Sb\n0.071523 0.008422 0.326815 Sb\n0.571523 0.991577 0.173185 Sb\n0.428477 0.491577 0.826815 Sb\n",
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{
"id": "jvasp-97393",
"created_at": "2022-09-04T14:35:59.819125Z",
"updated_at": "2022-09-04T14:35:59.819153Z",
"structure_string": "Sn12 Te12 Ir8\n1.0\n9.491172 0.002070 0.007535\n0.007531 9.491169 0.007535\n0.002071 0.002070 9.491175\nSn Te Ir\n12 12 8\ndirect\n0.824097 0.340210 0.499673 Sn\n0.002060 0.676137 0.840676 Sn\n0.323862 0.159324 0.997940 Sn\n0.159324 0.997939 0.323862 Sn\n0.840676 0.002061 0.676138 Sn\n0.676137 0.840676 0.002060 Sn\n0.997939 0.323863 0.159324 Sn\n0.340210 0.499673 0.824097 Sn\n0.500327 0.175903 0.659790 Sn\n0.659789 0.500327 0.175903 Sn\n0.175903 0.659790 0.500327 Sn\n0.499673 0.824097 0.340210 Sn\n0.349971 0.497432 0.154016 Te\n0.000143 0.654226 0.150438 Te\n0.345773 0.849562 0.999857 Te\n0.849561 0.999857 0.345774 Te\n0.999857 0.345774 0.849562 Te\n0.497431 0.154016 0.349971 Te\n0.650029 0.502568 0.845984 Te\n0.154016 0.349971 0.497432 Te\n0.502568 0.845984 0.650029 Te\n0.654226 0.150438 0.000143 Te\n0.150438 0.000143 0.654227 Te\n0.845983 0.650029 0.502569 Te\n0.750125 0.750126 0.750126 Ir\n0.249032 0.248621 0.747592 Ir\n0.248621 0.747591 0.249032 Ir\n0.747591 0.249032 0.248622 Ir\n0.750968 0.751379 0.252409 Ir\n0.751378 0.252409 0.750969 Ir\n0.252409 0.750968 0.751379 Ir\n0.249874 0.249874 0.249875 Ir\n",
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{
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"structure_string": "K12 Fe4 O16\n1.0\n7.621910 0.000000 0.000000\n-0.000000 7.841314 0.000000\n0.000000 0.000000 8.987101\nK Fe O\n12 4 16\ndirect\n0.334829 0.560731 0.250000 K\n0.462320 0.781700 0.963678 K\n0.537680 0.218300 0.463678 K\n0.962320 0.718300 0.536322 K\n0.037680 0.281700 0.463678 K\n0.537680 0.218300 0.036322 K\n0.462320 0.781700 0.536322 K\n0.962320 0.718300 0.963678 K\n0.665171 0.439268 0.750000 K\n0.165171 0.060732 0.750000 K\n0.834829 0.939268 0.250000 K\n0.037680 0.281700 0.036322 K\n0.723838 0.990287 0.750000 Fe\n0.776162 0.490287 0.250000 Fe\n0.276162 0.009712 0.250000 Fe\n0.223838 0.509712 0.750000 Fe\n0.284875 0.229470 0.250000 O\n0.818838 0.042266 0.919145 O\n0.181162 0.957733 0.419145 O\n0.181162 0.957733 0.080855 O\n0.681162 0.542266 0.419145 O\n0.318838 0.457733 0.919145 O\n0.818838 0.042266 0.580855 O\n0.018434 0.416210 0.750000 O\n0.518434 0.083790 0.750000 O\n0.481566 0.916210 0.250000 O\n0.981567 0.583789 0.250000 O\n0.715125 0.770529 0.750000 O\n0.215125 0.729470 0.750000 O\n0.784875 0.270530 0.250000 O\n0.318838 0.457733 0.580855 O\n0.681162 0.542266 0.080855 O\n",
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{
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"created_at": "2022-09-04T14:36:06.662160Z",
"updated_at": "2022-09-04T14:36:06.662186Z",
"structure_string": "K11 Li1 Mn4 O16\n1.0\n7.312291 0.000000 -2.998409\n-1.229500 7.208184 -2.998409\n-0.068280 -0.080912 10.249017\nK Li Mn O\n11 1 4 16\ndirect\n0.286672 0.286672 0.573344 K\n0.500000 -0.000000 -0.000000 K\n0.250000 0.750000 0.500000 K\n0.926110 0.926109 0.244188 K\n0.073890 0.681921 0.755811 K\n0.713328 0.713328 0.426656 K\n-0.000000 0.500000 -0.000000 K\n0.681921 0.073890 0.755812 K\n0.318079 0.318079 0.244189 K\n0.750000 0.250000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Li\n0.615112 0.615112 0.748953 Mn\n0.384888 0.866158 0.251047 Mn\n0.866159 0.384888 0.251047 Mn\n0.133841 0.133841 0.748953 Mn\n0.918967 0.203421 0.122388 O\n0.889130 0.583336 0.225214 O\n0.991749 0.991749 0.559178 O\n0.663916 0.416664 0.774786 O\n0.081033 0.081033 0.877612 O\n0.567427 0.567427 0.559178 O\n0.203421 0.918967 0.122388 O\n0.358121 0.110870 0.774786 O\n0.008251 0.432572 0.440822 O\n0.336085 0.641879 0.225214 O\n0.641879 0.336085 0.225214 O\n0.796578 0.796578 0.877611 O\n0.432572 0.008251 0.440822 O\n0.110870 0.358121 0.774786 O\n0.583336 0.889130 0.225214 O\n0.416664 0.663916 0.774786 O\n",
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{
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{
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"structure_string": "Ba12 Sb16 O4\n1.0\n7.066636 -0.007851 0.000000\n-2.079456 12.108545 0.000000\n0.000000 0.000000 12.887271\nBa Sb O\n12 16 4\ndirect\n0.671183 0.479096 0.768359 Ba\n0.752552 0.547086 0.441321 Ba\n0.607606 0.221086 0.551525 Ba\n0.392394 0.778914 0.448475 Ba\n0.107606 0.721087 0.948475 Ba\n0.252552 0.047086 0.058679 Ba\n0.828818 0.020904 0.268360 Ba\n0.747449 0.952915 0.941321 Ba\n0.892394 0.278914 0.051525 Ba\n0.328817 0.520904 0.231640 Ba\n0.247449 0.452915 0.558679 Ba\n0.171182 0.979096 0.731640 Ba\n0.661777 0.939553 0.655581 Sb\n0.535605 0.185064 0.842092 Sb\n0.945560 0.234781 0.766121 Sb\n0.445560 0.734781 0.733878 Sb\n0.086770 0.157393 0.485832 Sb\n0.838223 0.560448 0.155581 Sb\n0.554440 0.265219 0.266121 Sb\n0.464396 0.814937 0.157908 Sb\n0.035604 0.685064 0.657908 Sb\n0.964396 0.314937 0.342092 Sb\n0.161777 0.439552 0.844419 Sb\n0.413230 0.342607 0.985832 Sb\n0.338223 0.060448 0.344419 Sb\n0.913230 0.842608 0.514168 Sb\n0.586770 0.657393 0.014168 Sb\n0.054440 0.765219 0.233878 Sb\n0.588491 0.420534 0.586575 O\n0.911510 0.079466 0.086575 O\n0.088490 0.920534 0.913425 O\n0.411509 0.579466 0.413425 O\n",
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"elements": [
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],
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"density": 5.512607761873187,
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"formula_full": "Ba12 Sb16 O4",
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{
"id": "jvasp-91359",
"created_at": "2022-09-04T14:35:59.198502Z",
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"structure_string": "Hg8 C8 N16\n1.0\n6.635792 0.000000 0.000000\n-0.000000 6.997311 0.000000\n0.000000 0.000000 10.676588\nHg C N\n8 8 16\ndirect\n0.654173 0.293637 0.871281 Hg\n0.345827 0.793637 0.628720 Hg\n0.845827 0.706363 0.371281 Hg\n0.345827 0.706363 0.128719 Hg\n0.845827 0.793637 0.871281 Hg\n0.654173 0.206363 0.371281 Hg\n0.154173 0.293637 0.628720 Hg\n0.154173 0.206363 0.128719 Hg\n0.665209 0.399975 0.614399 C\n0.334791 0.600025 0.385601 C\n0.834791 0.899975 0.614399 C\n0.665209 0.100025 0.114399 C\n0.165209 0.399975 0.885602 C\n0.165209 0.100025 0.385601 C\n0.834791 0.600025 0.114399 C\n0.334791 0.899975 0.885602 C\n0.425520 0.944161 0.789030 N\n0.238650 0.625871 0.482946 N\n0.738650 0.874129 0.517054 N\n0.761350 0.125871 0.017054 N\n0.261350 0.374129 0.982946 N\n0.761350 0.374129 0.517054 N\n0.261350 0.125871 0.482946 N\n0.238650 0.874129 0.982946 N\n0.738650 0.625871 0.017054 N\n0.574480 0.055839 0.210971 N\n0.074480 0.444161 0.789030 N\n0.574480 0.444161 0.710971 N\n0.425520 0.555839 0.289030 N\n0.074480 0.055839 0.289030 N\n0.925520 0.555839 0.210971 N\n0.925520 0.944161 0.710971 N\n",
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"formula_full": "Hg8 C8 N16",
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{
"id": "jvasp-98448",
"created_at": "2022-09-04T14:35:56.160410Z",
"updated_at": "2022-09-04T14:35:56.160435Z",
"structure_string": "He8 Si8 O16\n1.0\n7.641598 0.000000 -4.983695\n0.000000 5.099516 0.000000\n-0.686376 0.000000 10.428008\nHe Si O\n8 8 16\ndirect\n0.609638 0.749663 0.070928 He\n0.390362 0.249662 0.429072 He\n0.390362 0.250338 0.929072 He\n0.609637 0.750339 0.570928 He\n0.109434 0.249535 0.070478 He\n0.890566 0.749535 0.429522 He\n0.890565 0.750466 0.929522 He\n0.109434 0.250466 0.570478 He\n0.125348 0.750803 0.812224 Si\n0.125348 0.749198 0.312224 Si\n0.874652 0.249198 0.187776 Si\n0.874652 0.250803 0.687776 Si\n0.374657 0.750152 0.687556 Si\n0.374657 0.749849 0.187556 Si\n0.625343 0.249849 0.312444 Si\n0.625343 0.250152 0.812444 Si\n0.959910 0.539275 0.210227 O\n0.040090 0.039275 0.289772 O\n0.460388 0.039772 0.709708 O\n0.539612 0.539772 0.790292 O\n0.539612 0.960229 0.290292 O\n0.460388 0.460229 0.209708 O\n0.749681 0.169630 0.000026 O\n0.250319 0.830371 -0.000027 O\n0.749681 0.330371 0.500026 O\n0.750373 0.251461 0.750484 O\n0.249627 0.751461 0.749516 O\n0.249627 0.748540 0.249516 O\n0.750373 0.248540 0.250484 O\n0.959909 0.960726 0.710227 O\n0.250319 0.669630 0.499973 O\n0.040090 0.460726 0.789772 O\n",
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]
}