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{
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"results": [
{
"id": "jvasp-104773",
"created_at": "2022-09-04T14:37:11.857650Z",
"updated_at": "2022-09-04T14:37:11.857676Z",
"structure_string": "Rb3 Sb1 F6\n1.0\n6.854806 -0.283458 -2.005256\n-2.190147 6.610242 -1.603801\n0.075747 -0.314158 7.140822\nRb Sb F\n3 1 6\ndirect\n-0.000000 0.500000 -0.000000 Rb\n0.500000 -0.000000 -0.000000 Rb\n0.000000 -0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.056500 0.767712 0.767741 F\n0.943501 0.232287 0.232258 F\n0.767793 0.767756 0.056450 F\n0.232207 0.232243 0.943549 F\n0.767676 0.056483 0.767742 F\n0.232324 0.943516 0.232257 F\n",
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{
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"updated_at": "2022-09-04T14:36:09.304143Z",
"structure_string": "Sr2 Zr2 P4 O16\n1.0\n5.147244 0.002174 -0.518507\n-0.063749 7.758582 -0.352341\n-0.006451 -0.018027 7.898412\nSr Zr P O\n2 2 4 16\ndirect\n0.696871 0.523475 0.770924 Sr\n0.303128 0.476524 0.229075 Sr\n0.340198 0.973694 0.277581 Zr\n0.659801 0.026305 0.722418 Zr\n0.199453 0.788913 0.873471 P\n0.212666 0.252248 0.629895 P\n0.787333 0.747751 0.370104 P\n0.800547 0.211085 0.126528 P\n0.260803 0.415170 0.541407 O\n0.563141 0.187945 0.231187 O\n0.926339 0.227669 0.668094 O\n0.739196 0.584829 0.458593 O\n0.407815 0.242461 0.794567 O\n0.592184 0.757538 0.205432 O\n0.073660 0.772330 0.331905 O\n0.049663 0.168100 0.242149 O\n0.769684 0.079500 0.974445 O\n0.230315 0.920499 0.025554 O\n0.189609 0.601298 0.922321 O\n0.950336 0.831898 0.757850 O\n0.307450 0.082865 0.534758 O\n0.692549 0.917134 0.465241 O\n0.810390 0.398700 0.077678 O\n0.436858 0.812054 0.768812 O\n",
"nsites": 24,
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"density_atomic": 0.0761017084849382,
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"formula_full": "Sr2 Zr2 P4 O16",
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{
"id": "jvasp-58922",
"created_at": "2022-09-04T14:37:10.668346Z",
"updated_at": "2022-09-04T14:37:10.668373Z",
"structure_string": "Cd8 O2 F12\n1.0\n7.584569 0.000000 0.000000\n0.000000 7.584569 -0.000000\n-0.000000 0.000000 5.482510\nCd O F\n8 2 12\ndirect\n0.251231 0.000000 0.302638 Cd\n0.500000 0.248769 0.802638 Cd\n0.500000 0.751231 0.802638 Cd\n0.748769 0.000000 0.302638 Cd\n0.248769 0.500000 0.197362 Cd\n0.751231 0.500000 0.197362 Cd\n0.000000 0.251231 0.697362 Cd\n0.000000 0.748769 0.697362 Cd\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.075804 F\n0.500000 0.000000 0.575804 F\n0.287768 0.287768 0.500000 F\n0.787768 0.212232 0.000000 F\n0.212232 0.787768 0.000000 F\n0.787768 0.787768 0.000000 F\n0.212232 0.212232 0.000000 F\n0.712232 0.287768 0.500000 F\n0.287768 0.712232 0.500000 F\n0.000000 0.500000 0.924196 F\n0.712232 0.712232 0.500000 F\n0.000000 0.500000 0.424196 F\n",
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"elements": [
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{
"id": "jvasp-9114",
"created_at": "2022-09-04T14:38:11.443436Z",
"updated_at": "2022-09-04T14:38:11.443464Z",
"structure_string": "Rb4 P6\n1.0\n6.164678 -0.053865 -2.337786\n-1.437513 5.994974 -2.337786\n0.013975 0.017563 8.538491\nRb P\n4 6\ndirect\n0.250000 0.749999 0.499999 Rb\n0.750000 0.250000 0.499999 Rb\n0.277504 0.722496 -0.000000 Rb\n0.722497 0.277504 -0.000000 Rb\n0.849119 0.849118 0.698236 P\n0.150881 0.150881 0.301762 P\n0.136410 0.136410 0.850176 P\n0.286234 0.286234 0.149823 P\n0.863590 0.863590 0.149823 P\n0.713766 0.713766 0.850175 P\n",
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{
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"created_at": "2022-09-04T14:36:34.813124Z",
"updated_at": "2022-09-04T14:36:34.813146Z",
"structure_string": "K2 Pr1 Ag1 Cl6\n1.0\n6.616996 -0.000000 3.820324\n2.205666 6.238563 3.820324\n0.000000 -0.000000 7.640648\nK Pr Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Pr\n0.000000 0.000000 0.000000 Ag\n0.752217 0.247784 0.247783 Cl\n0.247784 0.247784 0.752216 Cl\n0.247785 0.752216 0.752215 Cl\n0.247785 0.752216 0.247783 Cl\n0.752217 0.247784 0.752215 Cl\n0.752217 0.752216 0.247783 Cl\n",
"nsites": 10,
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-34637",
"created_at": "2022-09-04T14:36:46.085046Z",
"updated_at": "2022-09-04T14:36:46.085082Z",
"structure_string": "Ba2 Na4 Si4 O12\n1.0\n0.000000 5.735304 0.007988\n4.797819 0.000000 0.000000\n0.000000 -0.304633 -11.464334\nBa Na Si O\n2 4 4 12\ndirect\n0.251871 0.742289 0.096816 Ba\n0.748129 0.242289 0.903183 Ba\n0.181330 0.756007 0.485277 Na\n0.705195 0.753645 0.678938 Na\n0.818669 0.256007 0.514723 Na\n0.294805 0.253645 0.321062 Na\n0.222216 0.803713 0.804752 Si\n0.323422 0.296424 0.651739 Si\n0.777784 0.303712 0.195247 Si\n0.676578 0.796424 0.348260 Si\n0.176483 0.130277 0.756147 O\n0.224377 0.234366 0.521233 O\n0.601006 0.251021 0.677479 O\n0.012931 0.225799 0.127228 O\n0.823517 0.630277 0.243852 O\n0.398994 0.751021 0.322521 O\n0.460112 0.773153 0.883335 O\n0.775623 0.734366 0.478766 O\n0.746016 0.132307 0.321392 O\n0.253984 0.632307 0.678607 O\n0.987069 0.725799 0.872771 O\n0.539888 0.273153 0.116665 O\n",
"nsites": 22,
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"elements": [
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],
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"density_atomic": 0.0697412329805842,
"volume": 315.451836163045,
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"formula_full": "Ba2 Na4 Si4 O12",
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},
{
"id": "jvasp-56632",
"created_at": "2022-09-04T14:38:34.231588Z",
"updated_at": "2022-09-04T14:38:34.231602Z",
"structure_string": "Ba1 Mo4 P2 O16\n1.0\n6.590072 -0.000000 -3.630143\n-1.999665 6.279362 -3.630143\n-0.050806 -0.069499 7.704568\nBa Mo P O\n1 4 2 16\ndirect\n0.000000 0.000000 0.000000 Ba\n0.246276 0.491512 0.737789 Mo\n0.753724 0.753724 0.262212 Mo\n0.491512 0.246276 0.737789 Mo\n0.508487 0.508487 0.262212 Mo\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.034754 0.546401 0.841487 O\n0.283634 0.283634 0.825834 O\n0.359597 0.076239 0.435837 O\n0.457801 0.716365 0.174166 O\n0.704915 0.965245 0.158514 O\n0.716365 0.457800 0.174166 O\n0.965245 0.704915 0.158514 O\n0.806730 0.295085 0.841487 O\n0.295085 0.806730 0.841487 O\n0.923761 0.923760 0.564164 O\n0.546401 0.034755 0.841487 O\n0.542199 0.542199 0.825834 O\n0.193269 0.453598 0.158514 O\n0.076239 0.359597 0.435837 O\n0.453598 0.193269 0.158514 O\n0.640402 0.640402 0.564164 O\n",
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{
"id": "jvasp-112104",
"created_at": "2022-09-04T14:38:44.508949Z",
"updated_at": "2022-09-04T14:38:44.508973Z",
"structure_string": "Sn1 H20 C11 O4\n1.0\n5.140604 0.039453 -0.448142\n-0.092959 6.486453 -0.911936\n0.167084 0.042248 9.441153\nSn H C O\n1 20 11 4\ndirect\n0.912569 0.924884 0.106166 Sn\n0.174916 0.460960 0.510341 H\n0.287330 0.042928 0.309664 H\n-0.028104 0.086574 0.379691 H\n0.811574 0.575408 0.929159 H\n0.005708 0.742844 0.841857 H\n0.293534 0.602159 0.674333 H\n0.095634 0.264875 0.271286 H\n0.709374 0.674800 0.565206 H\n0.428068 0.773316 0.479513 H\n0.661729 0.788563 0.854300 H\n0.716807 0.379160 0.365389 H\n0.409596 0.029936 0.716538 H\n0.161642 0.092495 0.592455 H\n0.576383 0.220978 0.533415 H\n0.641193 0.354759 0.706509 H\n0.433189 0.459260 0.930379 H\n0.163863 0.402120 0.024667 H\n0.028931 0.390003 0.766673 H\n0.990494 0.149185 0.824699 H\n0.414703 0.464806 0.291014 H\n0.295950 0.337096 0.943267 C\n0.136829 0.259799 0.802592 C\n0.483357 0.307766 0.624517 C\n0.297434 0.160245 0.681341 C\n0.597072 0.514577 0.352663 C\n0.438872 0.160654 0.001510 C\n0.354001 0.502536 0.578698 C\n0.733703 0.650944 0.265397 C\n0.092375 0.104191 0.290961 C\n0.839342 0.732607 0.906278 C\n0.528916 0.630187 0.498504 C\n0.603139 0.803864 0.223055 O\n0.318647 0.994655 0.006363 O\n0.683130 0.186180 0.042046 O\n0.967169 0.622292 0.232363 O\n",
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"volume": 315.52262507399615,
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"formula_full": "Sn1 H20 C11 O4",
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},
{
"id": "jvasp-122553",
"created_at": "2022-09-04T14:38:51.236465Z",
"updated_at": "2022-09-04T14:38:51.236494Z",
"structure_string": "Ce1 Sn7\n1.0\n6.807862 0.000000 -0.000000\n0.000000 6.807862 0.000000\n-0.000000 0.000000 6.807862\nCe Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ce\n0.259817 0.259817 0.759817 Sn\n0.000000 0.500000 0.000000 Sn\n0.259817 0.740182 0.240183 Sn\n0.500000 0.000000 0.000000 Sn\n0.740182 0.259817 0.240183 Sn\n0.500000 0.500000 0.500000 Sn\n0.740182 0.740182 0.759817 Sn\n",
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],
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"formula_full": "Ce1 Sn7",
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},
{
"id": "jvasp-54225",
"created_at": "2022-09-04T14:37:05.145212Z",
"updated_at": "2022-09-04T14:37:05.145239Z",
"structure_string": "Si5 O10\n1.0\n6.979828 0.000000 0.000000\n0.000000 6.979828 -0.000000\n0.000000 0.000000 6.476733\nSi O\n5 10\ndirect\n0.269800 0.000000 0.119332 Si\n0.000000 0.269800 0.880668 Si\n0.000000 0.730200 0.880668 Si\n0.730200 0.000000 0.119332 Si\n0.000000 0.000000 0.500000 Si\n0.191717 0.000000 0.356443 O\n0.000000 0.191717 0.643557 O\n0.000000 0.808283 0.643557 O\n0.808283 0.000000 0.356443 O\n0.191027 0.808973 0.000000 O\n0.191027 0.191027 0.000000 O\n0.808973 0.808973 0.000000 O\n0.808973 0.191027 0.000000 O\n0.500000 0.000000 0.120253 O\n0.000000 0.500000 0.879747 O\n",
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"volume": 315.53347123166674,
"volume_molar": 12.667913188323386,
"formula_full": "Si5 O10",
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},
{
"id": "jvasp-28724",
"created_at": "2022-09-04T14:37:19.618405Z",
"updated_at": "2022-09-04T14:37:19.618428Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n3.312740 0.000000 0.000000\n-1.656370 2.869547 -0.000749\n0.000000 -0.008559 33.193169\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.334049 0.668098 0.730984 Te\n0.333732 0.667463 0.614893 Te\n0.332708 0.665416 0.084698 Mo\n0.666476 0.332951 0.276512 Mo\n0.333592 0.667184 0.468735 W\n0.667202 0.334404 0.673014 W\n0.333224 0.666446 0.327054 Se\n0.332996 0.665992 0.225950 Se\n0.665886 0.331771 0.038702 S\n0.666799 0.333595 0.422451 S\n0.666284 0.332568 0.130755 S\n0.667058 0.334114 0.515000 S\n",
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],
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"formula_full": "Te2 Mo2 W2 Se2 S4",
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},
{
"id": "jvasp-119382",
"created_at": "2022-09-04T14:38:32.036051Z",
"updated_at": "2022-09-04T14:38:32.036079Z",
"structure_string": "Li2 Mn4 P4 O20\n1.0\n6.619758 0.035026 -0.123431\n-3.064869 6.076835 -0.012119\n-0.006665 -0.041805 7.823862\nLi Mn P O\n2 4 4 20\ndirect\n0.204350 0.215398 0.064242 Li\n0.704319 0.215302 0.564241 Li\n0.248434 0.997176 0.749523 Mn\n0.253841 0.503812 0.748001 Mn\n0.753851 0.503813 0.248009 Mn\n0.748444 -0.002823 0.249516 Mn\n0.735996 0.760308 0.589155 P\n0.766054 0.241699 0.914212 P\n0.235996 0.760312 0.089156 P\n0.266056 0.241698 0.414213 P\n0.571108 0.653575 0.735332 O\n0.777365 0.262478 0.323913 O\n0.715905 0.408710 0.016574 O\n0.768726 0.581768 0.486669 O\n0.956535 0.933190 0.674057 O\n0.552928 0.071342 0.818011 O\n0.722125 0.739994 0.176831 O\n0.371725 0.127791 0.531770 O\n0.425693 0.351581 0.263849 O\n0.215898 0.408706 0.516572 O\n0.277364 0.262479 0.823910 O\n0.456543 0.933188 0.174051 O\n0.052933 0.071345 0.318005 O\n0.925683 0.351571 0.763841 O\n0.268715 0.581762 0.986667 O\n0.222116 0.739992 0.676832 O\n0.071116 0.653577 0.235338 O\n0.146182 0.891538 0.973322 O\n0.646183 0.891533 0.473317 O\n0.871732 0.127798 0.031768 O\n",
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],
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"volume": 315.5476096959368,
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"formula_full": "Li2 Mn4 P4 O20",
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}
]
}