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{
"id": "jvasp-30497",
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"structure_string": "B4 C6 N12\n1.0\n-7.188537 4.764770 -0.037826\n-0.532143 8.607839 -0.037826\n-2.596830 4.497842 -4.787269\nB C N\n4 6 12\ndirect\n0.419689 0.346522 0.820037 B\n0.153507 0.080309 0.679912 B\n0.580309 0.653507 0.179912 B\n0.846522 0.919689 0.320037 B\n0.791563 0.708463 0.249964 C\n0.208464 0.291563 0.749963 C\n0.811472 0.163384 0.689504 C\n0.336638 0.688535 0.810450 C\n0.663384 0.311472 0.189504 C\n0.188535 0.836638 0.310450 C\n0.750360 0.644447 0.181847 N\n0.371665 0.807474 0.248127 N\n0.855608 0.749637 0.318082 N\n0.001384 0.882494 0.376638 N\n0.617511 0.498616 0.123355 N\n0.998616 0.117511 0.623355 N\n0.249637 0.355608 0.818081 N\n0.628345 0.192567 0.751793 N\n0.692568 0.128344 0.251793 N\n0.307474 0.871665 0.748127 N\n0.144447 0.250360 0.681847 N\n0.382494 0.501384 0.876639 N\n",
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{
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"structure_string": "Ba4 Re4 N12\n1.0\n-3.212899 5.194850 -0.964306\n-6.054291 -5.186659 -0.097502\n-0.027330 0.038923 7.972648\nBa Re N\n4 4 12\ndirect\n0.750000 0.328142 0.671858 Ba\n0.250000 0.098923 0.901077 Ba\n0.250000 0.671858 0.328142 Ba\n0.750000 0.901077 0.098923 Ba\n0.238639 0.203667 0.370217 Re\n0.261360 0.629783 0.796333 Re\n0.738640 0.370217 0.203666 Re\n0.761360 0.796333 0.629783 Re\n0.016273 0.682154 0.640219 N\n0.820544 0.578711 0.144099 N\n0.179455 0.421289 0.855901 N\n0.320544 0.144099 0.578711 N\n0.679388 0.235057 0.018326 N\n0.516273 0.640219 0.682154 N\n0.820611 0.981674 0.764943 N\n0.483727 0.359781 0.317846 N\n0.983727 0.317847 0.359781 N\n0.320611 0.764944 0.981674 N\n0.679455 0.855901 0.421289 N\n0.179388 0.018326 0.235056 N\n",
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{
"id": "jvasp-36846",
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"updated_at": "2022-09-04T14:38:02.880076Z",
"structure_string": "Rb2 Ag2 O4\n1.0\n4.306845 3.422457 1.550727\n0.007597 0.036772 -5.715371\n-4.577183 3.469701 1.091525\nRb Ag O\n2 2 4\ndirect\n0.646310 0.353690 0.250000 Rb\n0.353691 0.646310 0.749999 Rb\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.150685 0.249718 0.322036 O\n0.249718 0.150685 0.822036 O\n0.849316 0.750283 0.677962 O\n0.750283 0.849315 0.177963 O\n",
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"formula_full": "Rb2 Ag2 O4",
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{
"id": "jvasp-12581",
"created_at": "2022-09-04T14:38:03.885752Z",
"updated_at": "2022-09-04T14:38:03.885784Z",
"structure_string": "Mg2 H4 Se2 O10\n1.0\n5.140130 -0.070889 -1.584292\n-1.308487 4.971299 -1.584292\n-0.003978 -0.005088 7.669200\nMg H Se O\n2 4 2 10\ndirect\n-0.000000 -0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.631904 0.032486 0.201921 H\n0.467513 0.868096 0.298079 H\n0.368095 0.967514 0.798079 H\n0.532486 0.131904 0.701921 H\n0.914454 0.585545 0.750000 Se\n0.085545 0.414455 0.250000 Se\n0.186176 0.287997 0.422901 O\n0.813489 0.246757 0.651297 O\n0.746757 0.313489 0.151297 O\n0.186510 0.753242 0.348703 O\n0.377392 0.122607 0.750000 O\n0.622607 0.877392 0.250000 O\n0.787997 0.686176 0.922901 O\n0.813823 0.712002 0.577099 O\n0.212002 0.313824 0.077099 O\n0.253242 0.686510 0.848703 O\n",
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"formula_full": "Mg2 H4 Se2 O10",
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{
"id": "jvasp-36842",
"created_at": "2022-09-04T14:38:03.437214Z",
"updated_at": "2022-09-04T14:38:03.437238Z",
"structure_string": "K2 Ag2 O4\n1.0\n-3.001383 -4.317000 -1.247812\n-0.040017 -0.044735 5.403538\n-3.686158 4.378854 -1.171425\nK Ag O\n2 2 4\ndirect\n0.860921 0.139078 0.250000 K\n0.139079 0.860922 0.750001 K\n0.500000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.651846 0.760911 0.827055 O\n0.348155 0.239089 0.172946 O\n0.239089 0.348154 0.672946 O\n0.760911 0.651846 0.327055 O\n",
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{
"id": "jvasp-24769",
"created_at": "2022-09-04T14:38:03.485224Z",
"updated_at": "2022-09-04T14:38:03.485248Z",
"structure_string": "Rb8 As8 Se16\n1.0\n9.269175 0.037429 -1.769985\n-0.781205 9.131123 -3.897980\n0.077229 -0.042560 12.607045\nRb As Se\n8 8 16\ndirect\n0.336614 0.279091 0.404782 Rb\n0.663385 0.720909 0.595217 Rb\n0.836614 0.125693 0.404782 Rb\n0.749999 0.977005 -0.000000 Rb\n0.250000 0.022994 -0.000000 Rb\n0.749999 0.533314 -0.000000 Rb\n0.250000 0.466686 -0.000000 Rb\n0.163386 0.874307 0.595217 Rb\n0.048736 0.507181 0.300990 As\n0.151552 0.814422 0.213696 As\n0.348447 0.600726 0.786303 As\n0.848447 0.185578 0.786303 As\n0.651552 0.399274 0.213696 As\n0.451264 0.206190 0.699009 As\n0.548735 0.793810 0.300990 As\n0.951264 0.492819 0.699009 As\n0.939583 0.968998 0.792071 Se\n0.957802 0.743439 0.296491 Se\n0.542196 0.446949 0.703508 Se\n0.042197 0.256560 0.703508 Se\n0.457803 0.553051 0.296491 Se\n0.991567 0.328914 0.108025 Se\n0.508432 0.220888 0.891974 Se\n0.008432 0.671086 0.891974 Se\n0.491567 0.779112 0.108025 Se\n0.652590 0.081375 0.606471 Se\n0.847409 0.474903 0.393528 Se\n0.060416 0.031002 0.207928 Se\n0.347409 0.918625 0.393528 Se\n0.439584 0.823073 0.792071 Se\n0.560416 0.176927 0.207928 Se\n0.152590 0.525097 0.606471 Se\n",
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{
"id": "jvasp-12846",
"created_at": "2022-09-04T14:38:03.677474Z",
"updated_at": "2022-09-04T14:38:03.677504Z",
"structure_string": "K4 B4 Se14\n1.0\n6.680845 0.000000 2.233038\n2.961639 7.669056 2.249769\n-0.039138 0.010879 11.227550\nK B Se\n4 4 14\ndirect\n0.672245 0.185862 0.022287 K\n0.880395 0.314138 0.477713 K\n0.327755 0.814138 0.977713 K\n0.119605 0.685863 0.522287 K\n0.842641 0.614476 0.152036 B\n0.609153 0.885525 0.347964 B\n0.157359 0.385525 0.847964 B\n0.390848 0.114476 0.652036 B\n0.909461 0.899523 0.268486 Se\n0.077470 0.600478 0.231514 Se\n0.618022 0.868840 0.670391 Se\n0.157252 0.631161 0.829609 Se\n0.381978 0.131161 0.329609 Se\n0.842749 0.368840 0.170391 Se\n0.174034 0.232529 0.022061 Se\n0.825966 0.767471 0.977940 Se\n0.428623 0.267471 0.477940 Se\n0.922530 0.399523 0.768486 Se\n0.464422 0.250000 0.750000 Se\n0.535578 0.750000 0.250000 Se\n0.571378 0.732530 0.522061 Se\n0.090539 0.100477 0.731514 Se\n",
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{
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"created_at": "2022-09-04T14:38:04.713138Z",
"updated_at": "2022-09-04T14:38:04.713156Z",
"structure_string": "K4 Na4 Zn4 O8\n1.0\n5.601417 0.029949 0.000000\n-1.373935 5.674032 0.000000\n0.000000 0.000000 9.599563\nK Na Zn O\n4 4 4 8\ndirect\n0.500011 0.750056 0.377603 K\n0.000010 0.750056 0.122397 K\n-0.000011 0.249944 0.877603 K\n0.499989 0.249944 0.622397 K\n0.999960 0.749958 0.477352 Na\n0.499960 0.749958 0.022648 Na\n0.500040 0.250042 0.977351 Na\n0.000040 0.250042 0.522648 Na\n0.000127 0.750014 0.760397 Zn\n0.499872 0.249985 0.260398 Zn\n0.500127 0.750014 0.739602 Zn\n0.999873 0.249985 0.239602 Zn\n0.295663 0.431686 0.141250 O\n0.704099 0.068234 0.141281 O\n0.204336 0.568314 0.641250 O\n0.295901 0.931766 0.858719 O\n0.704337 0.568314 0.858750 O\n0.795663 0.431686 0.358750 O\n0.795901 0.931766 0.641280 O\n0.204099 0.068234 0.358719 O\n",
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{
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"created_at": "2022-09-04T14:38:03.810526Z",
"updated_at": "2022-09-04T14:38:03.810550Z",
"structure_string": "Ca2 C4 S4 N4\n1.0\n5.802483 0.029833 0.076542\n2.249011 5.348986 0.076542\n0.006243 0.004171 7.705466\nCa C S N\n2 4 4 4\ndirect\n0.413714 0.586285 0.750000 Ca\n0.586285 0.413715 0.250000 Ca\n0.747539 0.017607 0.899365 C\n0.017607 0.747540 0.399364 C\n0.252460 0.982393 0.100635 C\n0.982392 0.252460 0.600635 C\n0.860228 0.734331 0.826936 S\n0.265669 0.139771 0.673064 S\n0.139770 0.265669 0.173064 S\n0.734330 0.860230 0.326936 S\n0.659222 0.226972 0.950639 N\n0.226972 0.659223 0.450638 N\n0.773027 0.340777 0.549362 N\n0.340777 0.773028 0.049361 N\n",
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{
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"created_at": "2022-09-04T14:38:04.922540Z",
"updated_at": "2022-09-04T14:38:04.922554Z",
"structure_string": "Na8 Zn8 Se12\n1.0\n-0.017196 0.017032 7.051452\n-0.018851 9.691575 3.460184\n-9.691309 -0.074382 3.460184\nNa Zn Se\n8 8 12\ndirect\n0.749999 0.569001 0.431000 Na\n0.249999 0.431000 0.569001 Na\n0.749999 0.281371 0.718629 Na\n0.249999 0.718629 0.281371 Na\n0.646280 0.975352 0.806889 Na\n0.853718 0.193111 0.024649 Na\n0.353718 0.024649 0.193112 Na\n0.146280 0.806889 0.975351 Na\n0.261074 0.083055 0.549185 Zn\n0.238925 0.450815 0.916945 Zn\n0.761074 0.549185 0.083055 Zn\n0.738924 0.916945 0.450815 Zn\n0.201646 0.792717 0.637047 Zn\n0.701645 0.637047 0.792717 Zn\n0.798353 0.207283 0.362954 Zn\n0.298353 0.362953 0.207283 Zn\n0.441597 0.227590 0.991809 Se\n0.568683 0.424118 0.276554 Se\n0.931315 0.723446 0.575882 Se\n0.431316 0.575882 0.723446 Se\n0.068683 0.276554 0.424118 Se\n0.552793 0.147835 0.583805 Se\n0.947205 0.416195 0.852165 Se\n0.447205 0.852165 0.416195 Se\n0.052793 0.583805 0.147835 Se\n0.558402 0.772410 0.008191 Se\n0.941597 0.991809 0.227591 Se\n0.058402 0.008191 0.772410 Se\n",
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],
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{
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"updated_at": "2022-09-04T14:38:03.837344Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n1.999876 -2.854040 -0.007141\n3.877529 2.673678 -1.178320\n3.767815 2.596278 8.287483\nAg Cl O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.750000 0.351687 0.296627 Cl\n0.249999 0.648313 0.703373 Cl\n0.751344 0.910281 0.925458 O\n0.748654 0.164261 0.925458 O\n0.251345 0.835739 0.074541 O\n0.248655 0.089720 0.074541 O\n",
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"formula_full": "Ag2 Cl2 O4",
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},
{
"id": "jvasp-46928",
"created_at": "2022-09-04T14:38:04.034006Z",
"updated_at": "2022-09-04T14:38:04.034042Z",
"structure_string": "Li2 Ag2 F8\n1.0\n2.761154 -2.974648 -5.043579\n-0.000000 5.949295 -0.000000\n-0.624012 0.000002 10.062184\nLi Ag F\n2 2 8\ndirect\n-0.000327 0.077123 0.748299 Li\n-0.000327 0.922549 0.248299 Li\n-0.000305 0.499836 0.498309 Ag\n-0.000304 0.499858 0.998309 Ag\n0.371610 0.539170 0.042757 F\n0.414490 0.090364 0.084436 F\n0.371610 0.832440 0.542757 F\n0.414491 0.324127 0.584436 F\n0.584901 0.909336 0.912175 F\n0.627724 0.460495 0.953835 F\n0.584901 0.675562 0.412175 F\n0.627725 0.167229 0.453835 F\n",
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],
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}
]
}