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"id": "jvasp-109845",
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"updated_at": "2022-09-04T14:38:03.315886Z",
"structure_string": "K2 Pr1 Ag1 Br6\n1.0\n6.952665 -0.000000 4.014123\n2.317555 6.555035 4.014123\n-0.000000 -0.000000 8.028246\nK Pr Ag Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753366 0.246633 0.246633 Br\n0.246633 0.246633 0.753367 Br\n0.246632 0.753367 0.753367 Br\n0.246632 0.753367 0.246633 Br\n0.753366 0.246633 0.753367 Br\n0.753366 0.753367 0.246633 Br\n",
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{
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"structure_string": "Ga2 P2 S2\n1.0\n-1.836243 2.595610 6.319556\n1.836243 -2.595610 6.319556\n1.836243 2.595610 -6.319556\nGa P S\n2 2 2\ndirect\n0.338001 0.838000 0.499999 Ga\n0.661999 0.162000 0.499999 Ga\n0.807746 0.500000 0.307745 P\n0.192254 0.499999 0.692253 P\n0.219508 0.219508 0.000000 S\n0.780493 0.780493 0.000000 S\n",
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{
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"created_at": "2022-09-04T14:36:10.049785Z",
"updated_at": "2022-09-04T14:36:10.049813Z",
"structure_string": "La2 Mg4\n1.0\n6.066376 -0.000000 -0.000000\n-3.033188 5.253635 0.000000\n0.000000 -0.000000 5.339463\nLa Mg\n2 4\ndirect\n0.666667 0.333333 0.500000 La\n0.333333 0.666668 0.500000 La\n0.000000 0.700968 0.000000 Mg\n0.700968 0.000000 0.000000 Mg\n0.299033 0.299033 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n",
"nsites": 6,
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{
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"created_at": "2022-09-04T14:36:38.500681Z",
"updated_at": "2022-09-04T14:36:38.500706Z",
"structure_string": "Be4 Al1 Fe1\n1.0\n3.672883 -0.000000 2.120540\n1.224294 3.462827 2.120540\n0.000000 -0.000000 4.241080\nBe Al Fe\n4 1 1\ndirect\n0.626769 0.626771 0.119689 Be\n0.626770 0.119689 0.626771 Be\n0.119688 0.626771 0.626771 Be\n0.626769 0.626771 0.626771 Be\n0.249999 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Fe\n",
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{
"id": "jvasp-105689",
"created_at": "2022-09-04T14:36:03.628344Z",
"updated_at": "2022-09-04T14:36:03.628362Z",
"structure_string": "Rb3 Sc1 I6\n1.0\n7.623026 -0.000000 4.401156\n2.541009 7.187058 4.401156\n0.000000 0.000000 8.802312\nRb Sc I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sc\n0.770041 0.229960 0.229960 I\n0.229960 0.229960 0.770040 I\n0.229960 0.770040 0.770040 I\n0.229960 0.770040 0.229960 I\n0.770041 0.229960 0.770040 I\n0.770041 0.770040 0.229960 I\n",
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{
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"created_at": "2022-09-04T14:38:09.004340Z",
"updated_at": "2022-09-04T14:38:09.004361Z",
"structure_string": "Li2 Cu2 F8\n1.0\n0.000000 5.557526 -0.021841\n4.719298 0.000000 0.000000\n0.000000 -2.818644 -5.058091\nLi Cu F\n2 2 8\ndirect\n0.500001 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.152672 0.711497 0.799161 F\n0.152672 0.788503 0.299161 F\n0.322875 0.307678 0.640942 F\n0.677127 0.807678 0.859057 F\n0.322874 0.192322 0.140943 F\n0.677126 0.692322 0.359057 F\n0.847329 0.211497 0.700839 F\n0.847329 0.288503 0.200839 F\n",
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"formula_full": "Li2 Cu2 F8",
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{
"id": "jvasp-117918",
"created_at": "2022-09-04T14:38:50.366455Z",
"updated_at": "2022-09-04T14:38:50.366483Z",
"structure_string": "Si1 C1 N2\n1.0\n2.857153 0.000000 0.000000\n-0.000000 2.857153 -0.000000\n0.000000 0.000000 3.786467\nSi C N\n1 1 2\ndirect\n0.500000 0.500000 0.519046 Si\n0.000000 0.000000 0.056338 C\n0.000000 0.000000 0.434701 N\n0.500000 0.500000 -0.000083 N\n",
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{
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"created_at": "2022-09-04T14:38:47.214780Z",
"updated_at": "2022-09-04T14:38:47.214794Z",
"structure_string": "Ba2 Te1\n1.0\n4.610206 0.000000 0.000000\n0.000000 4.439841 0.000000\n0.000000 0.000000 8.919158\nBa Te\n2 1\ndirect\n-0.033333 0.000000 0.731990 Ba\n-0.033333 0.000000 0.268011 Ba\n0.466667 0.000000 0.000000 Te\n",
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{
"id": "jvasp-47668",
"created_at": "2022-09-04T14:37:19.255308Z",
"updated_at": "2022-09-04T14:37:19.255331Z",
"structure_string": "Li4 Cr2 Ni2 P4 O16\n1.0\n0.000000 4.708693 -0.033133\n6.037738 0.000000 0.000000\n0.000000 -0.076285 -10.041202\nLi Cr Ni P O\n4 2 2 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.525060 0.250000 0.220909 Cr\n0.474940 0.750000 0.779091 Cr\n0.043164 0.750000 0.278779 Ni\n0.956837 0.250000 0.721221 Ni\n0.421188 0.250000 0.907756 P\n0.914288 0.750000 0.594784 P\n0.085712 0.250000 0.405216 P\n0.578813 0.750000 0.092243 P\n0.287381 0.041696 0.839621 O\n0.287381 0.458304 0.839621 O\n0.770207 0.548187 0.666585 O\n0.770207 0.951814 0.666585 O\n0.241509 0.750000 0.603969 O\n0.196229 0.250000 0.550030 O\n0.803772 0.750000 0.449970 O\n0.253163 0.750000 0.092869 O\n0.229793 0.048187 0.333415 O\n0.229793 0.451814 0.333415 O\n0.712619 0.541696 0.160379 O\n0.712619 0.958304 0.160379 O\n0.746837 0.250000 0.907130 O\n0.295458 0.250000 0.052816 O\n0.758491 0.250000 0.396031 O\n0.704543 0.750000 0.947184 O\n",
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{
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"created_at": "2022-09-04T14:35:57.026841Z",
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"structure_string": "Sr4 Li4 Al12 N16\n1.0\n5.717118 -0.001366 1.340049\n1.200422 7.369480 0.835193\n-0.006210 -0.002375 9.974598\nSr Li Al N\n4 4 12 16\ndirect\n0.995724 0.866154 0.872598 Sr\n0.004276 0.133846 0.127402 Sr\n0.976795 0.615860 0.628439 Sr\n0.023204 0.384141 0.371561 Sr\n0.533362 0.674879 0.887140 Li\n0.466638 0.325121 0.112860 Li\n0.791900 0.818745 0.355312 Li\n0.208100 0.181255 0.644688 Li\n0.562214 0.202468 0.367210 Al\n0.437786 0.797532 0.632790 Al\n0.531141 0.438707 0.624727 Al\n0.819770 0.556838 0.100107 Al\n0.180230 0.443162 0.899893 Al\n0.468859 0.561293 0.375273 Al\n0.831215 0.292382 0.852616 Al\n0.174590 0.940250 0.398008 Al\n0.825410 0.059750 0.601992 Al\n0.552377 0.954301 0.123506 Al\n0.447623 0.045699 0.876494 Al\n0.168785 0.707618 0.147384 Al\n0.196979 0.708733 0.332952 N\n0.803021 0.291267 0.667048 N\n0.161894 0.475495 0.089226 N\n0.838106 0.524505 0.910774 N\n0.830917 0.795059 0.144375 N\n0.169083 0.204941 0.855625 N\n0.152210 0.932361 0.592446 N\n0.616759 0.916373 0.720692 N\n0.383241 0.083627 0.279308 N\n0.372601 0.354888 0.504728 N\n0.627399 0.645113 0.495272 N\n0.349928 0.866806 0.028024 N\n0.650072 0.133194 0.971976 N\n0.342582 0.591440 0.761618 N\n0.847790 0.067639 0.407554 N\n0.657418 0.408560 0.238382 N\n",
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{
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"structure_string": "Sr22 Al8 Sn6\n1.0\n0.000000 8.653872 8.653872\n8.653872 -0.000000 8.653872\n8.653872 8.653872 -0.000000\nSr Al Sn\n22 8 6\ndirect\n0.128749 0.128749 0.128749 Sr\n0.871250 0.871250 0.871250 Sr\n0.386247 0.871250 0.871250 Sr\n0.871250 0.386247 0.871250 Sr\n0.871250 0.871250 0.386247 Sr\n0.166346 0.500000 0.833653 Sr\n0.500000 0.833653 0.500000 Sr\n0.128749 0.128749 0.613753 Sr\n0.500000 0.166346 0.500000 Sr\n0.166346 0.833653 0.500000 Sr\n0.500000 0.500000 0.166346 Sr\n0.500000 0.500000 0.833653 Sr\n0.833653 0.166346 0.500000 Sr\n0.166346 0.500000 0.500000 Sr\n0.500000 0.166346 0.833653 Sr\n0.833653 0.500000 0.166346 Sr\n0.128749 0.613753 0.128749 Sr\n0.833653 0.500000 0.500000 Sr\n0.613753 0.128749 0.128749 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.500000 0.833653 0.166346 Sr\n0.305945 0.305945 0.305945 Al\n0.305945 0.082165 0.305945 Al\n0.305945 0.305945 0.082165 Al\n0.694055 0.694055 0.694055 Al\n0.917835 0.694055 0.694055 Al\n0.694055 0.917835 0.694055 Al\n0.082165 0.305945 0.305945 Al\n0.694055 0.694055 0.917835 Al\n0.216810 0.783190 0.216810 Sn\n0.783190 0.783190 0.216810 Sn\n0.216810 0.216810 0.783190 Sn\n0.783190 0.216810 0.216810 Sn\n0.216810 0.783190 0.783190 Sn\n0.783190 0.216810 0.783190 Sn\n",
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"volume": 1296.1683045408306,
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]
}