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"results": [
{
"id": "jvasp-70963",
"created_at": "2022-09-04T14:35:56.180407Z",
"updated_at": "2022-09-04T14:35:56.180429Z",
"structure_string": "Be1 Si2 Sb1\n1.0\n3.357015 0.000000 0.000000\n0.000000 3.357015 0.000000\n-0.000000 0.000000 6.759560\nBe Si Sb\n1 2 1\ndirect\n0.000000 0.000000 0.453526 Be\n0.000000 0.000000 0.118119 Si\n0.499999 0.499999 0.262405 Si\n0.499999 0.499999 0.665950 Sb\n",
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{
"id": "jvasp-97924",
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"structure_string": "Rb8 Cd8 S12 O48\n1.0\n10.368888 0.000000 -0.000000\n-0.000000 10.368888 -0.000000\n-0.000000 0.000000 10.368888\nRb Cd S O\n8 8 12 48\ndirect\n0.433515 0.933515 0.566485 Rb\n0.566485 0.433515 0.933515 Rb\n0.690008 0.809993 0.190007 Rb\n0.933515 0.566485 0.433515 Rb\n0.309993 0.309993 0.309993 Rb\n0.190007 0.690008 0.809993 Rb\n0.066485 0.066485 0.066485 Rb\n0.809993 0.190007 0.690008 Rb\n0.668621 0.168621 0.331380 Cd\n0.831380 0.831380 0.831380 Cd\n0.914053 0.414053 0.085947 Cd\n0.085947 0.914053 0.414053 Cd\n0.585947 0.585947 0.585947 Cd\n0.168621 0.331380 0.668621 Cd\n0.331380 0.668621 0.168621 Cd\n0.414053 0.085947 0.914053 Cd\n0.372468 0.979501 0.236816 S\n0.872468 0.520500 0.763184 S\n0.627532 0.479501 0.263184 S\n0.263184 0.627532 0.479501 S\n0.763184 0.872468 0.520500 S\n0.520500 0.763184 0.872468 S\n0.236816 0.372468 0.979501 S\n0.127532 0.020499 0.736817 S\n0.736817 0.127532 0.020499 S\n0.020499 0.736817 0.127532 S\n0.979501 0.236816 0.372468 S\n0.479501 0.263184 0.627532 S\n0.973404 0.428366 0.721216 O\n0.306434 0.250671 0.014659 O\n0.726433 0.913799 0.654235 O\n0.845765 0.273567 0.413799 O\n0.273567 0.413799 0.845765 O\n0.345765 0.226433 0.586201 O\n0.154235 0.773567 0.086201 O\n0.773567 0.086201 0.154235 O\n0.086201 0.154235 0.773567 O\n0.473403 0.071634 0.278785 O\n0.347821 -0.014995 0.096692 O\n0.221215 0.526597 0.571634 O\n0.485341 0.693567 0.750671 O\n0.749329 0.514659 0.193566 O\n0.750671 0.485341 0.693567 O\n0.250671 0.014659 0.306434 O\n0.152179 0.014995 0.596692 O\n0.596692 0.152179 0.014995 O\n0.014995 0.596692 0.152179 O\n0.485005 0.403308 0.652179 O\n0.096692 0.347821 -0.014995 O\n-0.014995 0.096692 0.347821 O\n0.903308 0.847822 0.514995 O\n0.403308 0.652179 0.485005 O\n0.514995 0.903308 0.847822 O\n0.652179 0.485005 0.403308 O\n0.847822 0.514995 0.903308 O\n0.193566 0.749329 0.514659 O\n0.428366 0.721216 0.973404 O\n0.693567 0.750671 0.485341 O\n0.014659 0.306434 0.250671 O\n0.721216 0.973404 0.428366 O\n0.071634 0.278785 0.473403 O\n0.278785 0.473403 0.071634 O\n0.571634 0.221215 0.526597 O\n0.928366 0.778785 0.026597 O\n0.778785 0.026597 0.928366 O\n0.026597 0.928366 0.778785 O\n0.654235 0.726433 0.913799 O\n0.586201 0.345765 0.226433 O\n0.913799 0.654235 0.726433 O\n0.413799 0.845765 0.273567 O\n0.249329 -0.014659 0.806434 O\n0.806434 0.249329 -0.014659 O\n-0.014659 0.806434 0.249329 O\n0.514659 0.193566 0.749329 O\n0.226433 0.586201 0.345765 O\n0.526597 0.571634 0.221215 O\n",
"nsites": 76,
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"elements": [
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],
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"density_atomic": 0.06817372774811452,
"volume": 1114.7989483691088,
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"formula_full": "Rb8 Cd8 S12 O48",
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{
"id": "jvasp-48338",
"created_at": "2022-09-04T14:35:56.026218Z",
"updated_at": "2022-09-04T14:35:56.026251Z",
"structure_string": "Li2 Mn4 O5 F3\n1.0\n-4.364848 4.149258 0.048443\n4.364848 0.048443 4.149258\n4.380386 4.162279 0.035423\nLi Mn O F\n2 4 5 3\ndirect\n0.617803 0.250242 0.620839 Li\n0.128917 0.761358 0.620838 Li\n0.609868 0.250941 0.139191 Mn\n0.018360 0.000196 0.981444 Mn\n0.241636 0.482222 0.276142 Mn\n0.625303 0.751955 0.622741 Mn\n0.836996 0.216505 0.381540 O\n0.400075 0.248670 0.351257 O\n0.847238 0.716407 0.866091 O\n0.417502 0.286671 0.866091 O\n0.401956 0.781465 0.381540 O\n0.880991 0.723206 0.395802 F\n0.855273 0.255811 0.888915 F\n0.368074 0.774346 0.857579 F\n",
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"formula_full": "Li2 Mn4 O5 F3",
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{
"id": "jvasp-74454",
"created_at": "2022-09-04T14:36:02.043807Z",
"updated_at": "2022-09-04T14:36:02.043833Z",
"structure_string": "Li4 Be1 Pb1\n1.0\n-0.000000 3.676721 3.676721\n3.676721 0.000000 3.676721\n3.676721 3.676721 0.000000\nLi Be Pb\n4 1 1\ndirect\n0.123350 0.625550 0.625550 Li\n0.625550 0.625550 0.625550 Li\n0.625550 0.123350 0.625550 Li\n0.625550 0.625550 0.123350 Li\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Pb\n",
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"volume": 99.40586815253872,
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},
{
"id": "jvasp-104790",
"created_at": "2022-09-04T14:36:49.558933Z",
"updated_at": "2022-09-04T14:36:49.558971Z",
"structure_string": "Na2 Mn2 O4\n1.0\n3.130125 -0.027276 -0.537017\n-0.267978 4.764115 1.879174\n0.030969 -0.007093 6.001927\nNa Mn O\n2 2 4\ndirect\n0.250017 0.750018 0.499999 Na\n0.750018 0.250017 0.500000 Na\n0.500012 0.500011 -0.000001 Mn\n0.000011 0.000011 0.000000 Mn\n0.138363 0.217764 0.208354 O\n0.638364 0.717764 0.208353 O\n0.861660 0.782259 0.791645 O\n0.361659 0.282259 0.791646 O\n",
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"formula_full": "Na2 Mn2 O4",
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{
"id": "jvasp-99491",
"created_at": "2022-09-04T14:36:31.563433Z",
"updated_at": "2022-09-04T14:36:31.563457Z",
"structure_string": "Mg5 Hg1\n1.0\n8.127449 0.040289 0.000000\n-7.475020 3.190787 0.000000\n0.000000 0.000000 5.002721\nMg Hg\n5 1\ndirect\n0.000894 0.999108 0.500000 Mg\n0.671329 0.328672 0.500000 Mg\n0.335086 0.664915 0.500000 Mg\n0.556312 0.443689 -0.000000 Mg\n0.882064 0.117937 -0.000000 Mg\n0.220988 0.779013 -0.000000 Hg\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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{
"id": "jvasp-112617",
"created_at": "2022-09-04T14:38:42.771132Z",
"updated_at": "2022-09-04T14:38:42.771159Z",
"structure_string": "Y4 Cr1 S7\n1.0\n6.248323 -0.006454 1.698876\n5.099960 3.609984 1.698876\n0.024367 0.007737 11.407309\nY Cr S\n4 1 7\ndirect\n0.687256 0.687257 0.218883 Y\n0.301505 0.301506 0.806474 Y\n0.992909 0.992909 0.007063 Y\n0.117523 0.117523 0.564506 Y\n0.888946 0.888947 0.423696 Cr\n0.752461 0.752462 0.633150 S\n0.278339 0.278339 0.354560 S\n0.329291 0.329291 0.056431 S\n0.654335 0.654336 0.946822 S\n0.027120 0.027121 0.228570 S\n0.963236 0.963237 0.783005 S\n0.507076 0.507076 0.476846 S\n",
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{
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"created_at": "2022-09-04T14:37:32.114041Z",
"updated_at": "2022-09-04T14:37:32.114064Z",
"structure_string": "Zr2 N2 Cl2\n1.0\n3.443504 -0.000139 0.000390\n-1.721873 2.982257 0.000358\n0.001344 0.002314 11.162792\nZr N Cl\n2 2 2\ndirect\n-0.000161 -0.000114 0.803679 Zr\n0.000159 0.000113 0.196321 Zr\n0.666431 0.333143 0.859666 N\n0.333567 0.666857 0.140334 N\n0.333392 0.666727 0.637239 Cl\n0.666606 0.333272 0.362761 Cl\n",
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},
{
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"created_at": "2022-09-04T14:35:50.553830Z",
"updated_at": "2022-09-04T14:35:50.553858Z",
"structure_string": "Mn6 O2 F10\n1.0\n0.000000 4.845608 0.001610\n3.202233 0.000000 0.000000\n0.000000 -0.635058 -14.482418\nMn O F\n6 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.016980 0.000000 0.673225 Mn\n0.983020 0.000000 0.326775 Mn\n0.472894 0.499999 0.823928 Mn\n0.500000 0.499999 0.500000 Mn\n0.527106 0.499999 0.176072 Mn\n0.695652 0.000000 0.232743 O\n0.304348 0.000000 0.767257 O\n0.206354 0.499999 0.938265 F\n0.307713 0.000000 0.106632 F\n0.294405 0.000000 0.429916 F\n0.705595 0.000000 0.570084 F\n0.807404 0.499999 0.730957 F\n0.793646 0.499999 0.061735 F\n0.807293 0.499999 0.402317 F\n0.192707 0.499999 0.597683 F\n0.692287 0.000000 0.893368 F\n0.192596 0.499999 0.269043 F\n",
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{
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"created_at": "2022-09-04T14:38:42.814698Z",
"updated_at": "2022-09-04T14:38:42.814721Z",
"structure_string": "Ag2 H6 Br2 N2\n1.0\n5.884654 -0.000000 0.000000\n0.000000 4.212099 0.507468\n-0.000000 -0.105519 6.719163\nAg H Br N\n2 6 2 2\ndirect\n0.749999 0.342579 0.028909 Ag\n0.250000 0.657421 0.971091 Ag\n0.749999 0.381326 0.432013 H\n0.250000 0.618674 0.567987 H\n0.890778 0.692307 0.322374 H\n0.390778 0.307692 0.677626 H\n0.109221 0.307692 0.677626 H\n0.609221 0.692307 0.322374 H\n0.749999 0.979848 0.750205 Br\n0.250000 0.020151 0.249795 Br\n0.749999 0.551970 0.311770 N\n0.250000 0.448030 0.688229 N\n",
"nsites": 12,
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],
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{
"id": "jvasp-120372",
"created_at": "2022-09-04T14:38:53.805858Z",
"updated_at": "2022-09-04T14:38:53.805879Z",
"structure_string": "As1 C2\n1.0\n5.511094 0.000000 0.000000\n0.000000 2.824053 0.000000\n0.000000 0.000000 2.589539\nAs C\n1 2\ndirect\n0.466631 0.000000 0.000000 As\n-0.033316 0.000000 0.749449 C\n-0.033316 0.000000 0.250550 C\n",
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]
}