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"id": "jvasp-47334",
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"structure_string": "Li1 V1 F4\n1.0\n3.896256 0.004352 -0.004931\n-0.004231 3.896095 -0.004648\n-1.940119 -1.944963 4.773701\nLi V F\n1 1 4\ndirect\n0.751237 0.248344 0.501965 Li\n0.001252 0.998427 0.002027 V\n0.800141 0.797260 0.599773 F\n0.202420 0.199545 0.404290 F\n0.987680 0.484900 0.975003 F\n0.514770 0.011968 0.029074 F\n",
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{
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"structure_string": "C6 N6 Cl6\n1.0\n6.699167 0.027272 3.155423\n2.610993 6.169465 3.155423\n0.064854 0.043166 7.337303\nC N Cl\n6 6 6\ndirect\n0.845688 0.154312 0.249999 C\n0.492620 0.326245 0.262219 C\n0.507380 0.673755 0.737780 C\n0.673755 0.507380 0.237780 C\n0.154312 0.845688 0.750000 C\n0.326245 0.492620 0.762219 C\n0.332248 0.859064 0.738305 N\n0.667752 0.140936 0.261694 N\n0.859065 0.332248 0.238305 N\n0.140935 0.667752 0.761694 N\n0.485059 0.514941 0.250000 N\n0.514941 0.485059 0.749999 N\n0.077668 0.922331 0.250000 Cl\n0.922332 0.077668 0.749999 Cl\n0.323727 0.256079 0.778419 Cl\n0.743921 0.676272 0.721580 Cl\n0.676272 0.743920 0.221580 Cl\n0.256079 0.323728 0.278419 Cl\n",
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{
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"created_at": "2022-09-04T14:38:03.939621Z",
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"structure_string": "Sr1 Zn2 P2\n1.0\n2.058181 -3.564874 0.000000\n2.058181 3.564874 0.000000\n0.000000 0.000000 7.109580\nSr Zn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.631628 Zn\n0.333333 0.666667 0.368372 Zn\n0.666667 0.333333 0.272566 P\n0.333333 0.666667 0.727434 P\n",
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{
"id": "jvasp-45991",
"created_at": "2022-09-04T14:38:03.942564Z",
"updated_at": "2022-09-04T14:38:03.942584Z",
"structure_string": "Sm2 Ta2 O8\n1.0\n3.922803 0.000000 0.000000\n-1.961401 7.420324 0.000000\n0.000000 0.000000 5.538658\nSm Ta O\n2 2 8\ndirect\n0.181217 0.362433 0.133670 Sm\n0.818782 0.637567 0.633670 Sm\n0.414721 0.829444 0.190148 Ta\n0.585279 0.170556 0.690148 Ta\n0.092231 0.184463 0.732890 O\n0.298644 0.597286 0.403727 O\n0.334409 0.668817 0.916684 O\n0.469338 0.938675 0.538086 O\n0.530662 0.061325 0.038085 O\n0.665591 0.331182 0.416683 O\n0.701356 0.402713 0.903727 O\n0.907768 0.815536 0.232890 O\n",
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"volume": 161.22185606914184,
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{
"id": "jvasp-32852",
"created_at": "2022-09-04T14:38:03.954410Z",
"updated_at": "2022-09-04T14:38:03.954437Z",
"structure_string": "Ti2 N6 Cl6\n1.0\n5.764836 -0.006272 0.716758\n1.270041 6.449831 0.103436\n-0.027192 0.082230 7.476360\nTi N Cl\n2 6 6\ndirect\n0.719281 0.931002 0.136659 Ti\n0.280720 0.068998 0.863342 Ti\n0.389084 0.118604 0.123225 N\n0.714797 0.747938 0.767060 N\n0.812826 0.624843 0.665764 N\n0.610917 0.881396 0.876776 N\n0.187175 0.375157 0.334237 N\n0.285204 0.252062 0.232940 N\n0.381242 0.353931 0.745245 Cl\n0.618759 0.646069 0.254756 Cl\n0.891254 0.235515 0.961526 Cl\n0.108747 0.764485 0.038475 Cl\n0.236017 0.913303 0.613049 Cl\n0.763984 0.086697 0.386952 Cl\n",
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"elements": [
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"formula_full": "Ti2 N6 Cl6",
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{
"id": "jvasp-14011",
"created_at": "2022-09-04T14:38:03.965864Z",
"updated_at": "2022-09-04T14:38:03.965882Z",
"structure_string": "K1 C1 N1\n1.0\n3.849694 0.025193 0.192639\n0.191306 3.845002 0.202335\n0.033552 0.022055 3.854863\nK C N\n1 1 1\ndirect\n0.054125 0.008986 0.008986 K\n0.624352 0.579461 0.579460 C\n0.457523 0.412553 0.412552 N\n",
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{
"id": "jvasp-30393",
"created_at": "2022-09-04T14:38:03.970914Z",
"updated_at": "2022-09-04T14:38:03.970934Z",
"structure_string": "Li2 Ni1 O2\n1.0\n-3.054718 -0.000000 -0.000000\n-1.527360 2.645463 -0.000000\n-0.000000 1.763642 -6.191777\nLi Ni O\n2 1 2\ndirect\n0.763670 0.472662 0.291006 Li\n0.236332 0.527335 0.708995 Li\n0.000000 0.000000 0.000000 Ni\n0.602698 0.794605 0.808090 O\n0.397304 0.205393 0.191910 O\n",
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"spacegroup": 166
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{
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"created_at": "2022-09-04T14:38:03.984386Z",
"updated_at": "2022-09-04T14:38:03.984401Z",
"structure_string": "Mn8 O2 F12\n1.0\n3.676908 -6.368591 0.000000\n3.676908 6.368591 -0.000000\n0.000000 -0.000000 5.539107\nMn O F\n8 2 12\ndirect\n0.367444 0.183722 0.500910 Mn\n0.816278 0.183723 0.500910 Mn\n0.666667 0.333333 0.982595 Mn\n0.816278 0.632556 0.500910 Mn\n0.183722 0.367444 0.000910 Mn\n0.183723 0.816278 0.000910 Mn\n0.333333 0.666667 0.482594 Mn\n0.632556 0.816278 0.000910 Mn\n0.666667 0.333333 0.629708 O\n0.333333 0.666667 0.129708 O\n0.129078 0.870922 0.392656 F\n0.458652 0.541349 0.726874 F\n0.082698 0.541349 0.726874 F\n0.870923 0.741845 0.892656 F\n0.129078 0.258156 0.392656 F\n0.258156 0.129078 0.892656 F\n0.541349 0.458652 0.226874 F\n0.870922 0.129078 0.892656 F\n0.541349 0.082698 0.226874 F\n0.458652 0.917302 0.726874 F\n0.917302 0.458652 0.226874 F\n0.741845 0.870923 0.392656 F\n",
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{
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"created_at": "2022-09-04T14:38:03.984593Z",
"updated_at": "2022-09-04T14:38:03.984620Z",
"structure_string": "Mn4 Ni1 O8\n1.0\n-0.058765 2.972402 -5.029060\n1.583912 -2.515920 -5.029060\n-5.032244 1.483821 -2.577568\nMn Ni O\n4 1 8\ndirect\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 -0.000000 Ni\n0.465230 0.264308 0.799077 O\n0.986203 0.278741 0.778477 O\n0.500262 0.764682 0.778478 O\n0.975974 0.751477 0.775501 O\n0.024026 0.248524 0.224498 O\n0.499738 0.235319 0.221521 O\n0.013797 0.721260 0.221522 O\n0.534770 0.735693 0.200922 O\n",
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{
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"created_at": "2022-09-04T14:38:03.993798Z",
"updated_at": "2022-09-04T14:38:03.993830Z",
"structure_string": "Bi7 S9 Cl3\n1.0\n11.240537 -2.982896 0.000000\n-7.820515 13.535412 0.000000\n0.000000 0.000000 4.047903\nBi S Cl\n7 9 3\ndirect\n0.086407 0.661374 0.250000 Bi\n0.354296 0.549911 0.250000 Bi\n0.631931 0.917563 0.250000 Bi\n0.302539 0.973221 0.749999 Bi\n0.782199 0.698197 0.749999 Bi\n0.084768 0.114760 0.749999 Bi\n0.816363 0.279284 0.749999 Bi\n0.898056 0.942601 0.250000 S\n0.587922 0.544351 0.250000 S\n0.797198 0.081890 0.749999 S\n0.080711 0.834394 0.250000 S\n0.334625 0.805378 0.749999 S\n0.347058 0.163629 0.749999 S\n0.113365 0.482247 0.749999 S\n0.861487 0.573861 0.749999 S\n0.544068 0.719806 0.749999 S\n0.761563 0.365308 0.250000 Cl\n0.555609 0.076832 0.250000 Cl\n0.163388 0.294433 0.250000 Cl\n",
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],
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"volume": 521.4408114313876,
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{
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"structure_string": "Ag2 Pd1 Au1\n1.0\n-9.504559 0.000000 -5.487460\n-6.016142 -1.152445 -0.554654\n-4.630300 2.767312 -2.955005\nAg Pd Au\n2 1 1\ndirect\n0.752726 0.000000 0.000000 Ag\n0.247274 0.000000 0.000000 Ag\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:38:04.006021Z",
"updated_at": "2022-09-04T14:38:04.006042Z",
"structure_string": "Li4 Cr6 O12\n1.0\n5.036489 -0.027511 -0.000000\n2.481688 4.312993 0.000000\n-0.000000 -0.000000 9.942040\nLi Cr O\n4 6 12\ndirect\n0.500000 0.147030 0.750000 Li\n0.500000 0.352970 0.250000 Li\n0.500001 0.647029 0.750000 Li\n0.500001 0.852970 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.323866 0.338068 0.000000 Cr\n0.323866 0.838067 0.500000 Cr\n0.676135 0.161932 0.500000 Cr\n0.676135 0.661932 0.000000 Cr\n0.660880 0.330247 0.893291 O\n0.660880 0.008873 0.106709 O\n0.339120 0.669752 0.106709 O\n0.339120 0.491127 0.606709 O\n0.339120 0.169753 0.393291 O\n0.000000 0.171684 0.601666 O\n0.339121 0.991127 0.893291 O\n0.000000 0.671684 0.898334 O\n0.000000 0.328315 0.101666 O\n0.660881 0.508872 0.393291 O\n0.000001 0.828315 0.398334 O\n0.660881 0.830247 0.606709 O\n",
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],
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"formula_full": "Li4 Cr6 O12",
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]
}