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{
"id": "jvasp-50926",
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"structure_string": "Ca4 Se4 O12\n1.0\n5.419031 0.000000 0.000000\n0.000000 6.404750 0.000000\n0.000000 0.000000 8.370276\nCa Se O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.015560 0.024063 0.750000 Se\n0.484440 0.524063 0.750000 Se\n0.515559 0.475937 0.250000 Se\n0.984440 0.975937 0.250000 Se\n0.869591 0.828759 0.091399 O\n0.630409 0.328759 0.408601 O\n0.630409 0.328759 0.091399 O\n0.702640 0.081574 0.750000 O\n0.297360 0.918426 0.250000 O\n0.130409 0.171241 0.591400 O\n0.369591 0.671241 0.591400 O\n0.130409 0.171241 0.908601 O\n0.869591 0.828759 0.408601 O\n0.202640 0.418426 0.250000 O\n0.369591 0.671241 0.908601 O\n0.797359 0.581574 0.750000 O\n",
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{
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"structure_string": "Sr4 Nd2 Bi2 O12\n1.0\n0.000000 6.003517 0.002078\n6.194033 0.000000 0.000000\n0.000000 -5.963455 -8.594225\nSr Nd Bi O\n4 2 2 12\ndirect\n0.763499 0.050120 0.249451 Sr\n0.236502 0.550120 0.250550 Sr\n0.236503 0.949879 0.750550 Sr\n0.763500 0.449880 0.749451 Sr\n0.500000 0.500000 -0.000000 Nd\n0.500001 0.000000 0.500000 Nd\n0.000001 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.655058 0.044602 0.762466 O\n0.344944 0.544602 0.737534 O\n0.126815 0.786817 0.440060 O\n0.873186 0.286818 0.059940 O\n0.873187 0.213182 0.559940 O\n0.765661 0.692213 0.554193 O\n0.234341 0.307787 0.445807 O\n0.765660 0.807786 0.054193 O\n0.655058 0.455398 0.262466 O\n0.234342 0.192213 0.945807 O\n0.126816 0.713182 0.940060 O\n0.344943 0.955398 0.237534 O\n",
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{
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"updated_at": "2022-09-04T14:37:29.005468Z",
"structure_string": "Li4 Mn1 V2 W1 O12\n1.0\n5.003295 0.005577 0.000615\n-0.003991 5.316627 -0.023144\n-0.008746 -0.591833 7.259160\nLi Mn V W O\n4 1 2 1 12\ndirect\n0.001898 0.425291 0.312996 Li\n0.493004 0.904029 0.773533 Li\n0.012392 0.430810 0.762118 Li\n0.493397 0.928473 0.310585 Li\n0.499217 0.486028 0.507784 Mn\n-0.001340 0.986211 0.514410 V\n0.497733 0.464202 0.005524 V\n0.003208 0.977798 0.008405 W\n0.681775 0.196716 0.925759 O\n0.809464 0.327698 0.543108 O\n0.183514 0.333143 0.051607 O\n0.617432 0.514612 0.229930 O\n0.386693 0.531087 0.746145 O\n0.120592 0.030214 0.746126 O\n0.193426 0.725202 0.433898 O\n0.323719 0.834622 0.054476 O\n0.868783 0.018242 0.240698 O\n0.296483 0.218448 0.431310 O\n0.820617 0.695942 0.924117 O\n0.697992 0.828851 0.548681 O\n",
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{
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"created_at": "2022-09-04T14:37:28.923239Z",
"updated_at": "2022-09-04T14:37:28.923261Z",
"structure_string": "Mn2 P4 O14\n1.0\n0.000000 4.810494 0.000012\n12.370946 0.000000 0.000000\n0.000000 -2.405209 -4.166022\nMn P O\n2 4 14\ndirect\n0.000016 0.989418 0.000026 Mn\n0.999983 0.489418 0.999974 Mn\n0.333317 0.366807 0.666636 P\n0.333346 0.112030 0.666686 P\n0.666682 0.866807 0.333365 P\n0.666653 0.612030 0.333314 P\n0.666640 0.739418 0.333326 O\n0.949579 0.899697 0.659391 O\n0.949543 0.579133 0.659340 O\n0.709800 0.579136 0.050434 O\n0.290185 0.399707 0.949524 O\n0.709814 0.899707 0.050476 O\n0.050420 0.399697 0.340609 O\n0.050456 0.079133 0.340660 O\n0.340670 0.899713 0.290247 O\n0.333359 0.239418 0.666674 O\n0.659329 0.399713 0.709753 O\n0.659368 0.079128 0.709826 O\n0.290199 0.079136 0.949566 O\n0.340631 0.579128 0.290174 O\n",
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{
"id": "jvasp-56523",
"created_at": "2022-09-04T14:37:34.023764Z",
"updated_at": "2022-09-04T14:37:34.023794Z",
"structure_string": "Ba4 Al8 Ge8\n1.0\n4.315003 0.000000 0.000000\n-0.000000 10.288694 0.000000\n0.000000 0.000000 11.079972\nBa Al Ge\n4 8 8\ndirect\n0.749999 0.251704 0.675316 Ba\n0.749999 0.751704 0.824684 Ba\n0.250000 0.748295 0.324684 Ba\n0.250000 0.248295 0.175316 Ba\n0.250000 0.101072 0.452799 Al\n0.749999 0.957457 0.118663 Al\n0.250000 0.601071 0.047201 Al\n0.250000 0.542543 0.618663 Al\n0.749999 0.457457 0.381337 Al\n0.749999 0.898928 0.547201 Al\n0.250000 0.042543 0.881337 Al\n0.749999 0.398928 0.952799 Al\n0.250000 0.975520 0.656737 Ge\n0.250000 0.353817 0.459838 Ge\n0.749999 0.646182 0.540161 Ge\n0.250000 0.475520 0.843262 Ge\n0.749999 0.524480 0.156737 Ge\n0.749999 0.024480 0.343263 Ge\n0.250000 0.853817 0.040161 Ge\n0.749999 0.146182 0.959838 Ge\n",
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"volume": 491.9036167941152,
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{
"id": "jvasp-34653",
"created_at": "2022-09-04T14:37:07.811471Z",
"updated_at": "2022-09-04T14:37:07.811499Z",
"structure_string": "In4 Bi4 O12\n1.0\n5.702248 0.000000 0.000000\n0.000000 6.025867 0.000000\n0.000000 0.000000 8.341539\nIn Bi O\n4 4 12\ndirect\n0.000666 0.497095 0.515366 In\n-0.000666 0.502906 0.015366 In\n0.500667 0.002905 0.015366 In\n0.499334 -0.002905 0.515366 In\n0.001153 0.944287 0.788199 Bi\n0.498847 0.444287 0.788199 Bi\n0.501153 0.555713 0.288199 Bi\n-0.001153 0.055713 0.288199 Bi\n0.696964 0.289517 0.435400 O\n0.196963 0.210483 0.935400 O\n0.616435 0.051090 0.758049 O\n0.841305 0.840298 0.032685 O\n0.341305 0.659703 0.532685 O\n0.116435 0.448910 0.258049 O\n0.158696 0.159703 0.532685 O\n0.883566 0.551091 0.758049 O\n0.383565 0.948910 0.258049 O\n0.803037 0.789518 0.435400 O\n0.658696 0.340297 0.032685 O\n0.303037 0.710483 0.935400 O\n",
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{
"id": "jvasp-49678",
"created_at": "2022-09-04T14:37:15.411498Z",
"updated_at": "2022-09-04T14:37:15.411520Z",
"structure_string": "Mg4 Sn4 O12\n1.0\n5.316526 -0.000000 0.000000\n-0.000000 5.437304 0.000000\n0.000000 0.000000 7.816687\nMg Sn O\n4 4 12\ndirect\n0.001973 0.041828 0.250000 Mg\n0.501973 0.458171 0.750000 Mg\n0.498027 0.541828 0.250000 Mg\n-0.001973 0.958171 0.750000 Mg\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.169827 0.175267 0.928071 O\n0.669827 0.324733 0.071930 O\n0.330173 0.675267 0.928071 O\n0.830174 0.824732 0.071930 O\n0.169827 0.175267 0.571930 O\n0.364726 0.911460 0.250000 O\n0.135275 0.411461 0.250000 O\n0.635275 0.088539 0.750000 O\n0.330173 0.675267 0.571930 O\n0.864726 0.588539 0.750000 O\n0.669827 0.324733 0.428070 O\n0.830174 0.824732 0.428070 O\n",
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{
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"created_at": "2022-09-04T14:37:07.856619Z",
"updated_at": "2022-09-04T14:37:07.856636Z",
"structure_string": "Pr4 Cr4 Se12\n1.0\n3.971632 0.000000 0.000000\n0.000000 8.179785 0.000000\n0.000000 0.000000 13.752591\nPr Cr Se\n4 4 12\ndirect\n0.250000 0.094513 0.828336 Pr\n0.750000 0.405487 0.328336 Pr\n0.250000 0.594513 0.671664 Pr\n0.750000 0.905487 0.171664 Pr\n0.250000 0.338499 0.051107 Cr\n0.750000 0.161501 0.551107 Cr\n0.250000 0.838498 0.448893 Cr\n0.750000 0.661501 0.948892 Cr\n0.250000 0.842083 0.004753 Se\n0.750000 0.157917 0.995247 Se\n0.250000 0.342083 0.495247 Se\n0.750000 0.809443 0.788178 Se\n0.250000 0.690557 0.288178 Se\n0.250000 0.987068 0.608089 Se\n0.250000 0.190557 0.211822 Se\n0.750000 0.512931 0.108089 Se\n0.750000 0.657916 0.504753 Se\n0.750000 0.012931 0.391911 Se\n0.750000 0.309443 0.711822 Se\n0.250000 0.487069 0.891911 Se\n",
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{
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"created_at": "2022-09-04T14:37:33.666315Z",
"updated_at": "2022-09-04T14:37:33.666324Z",
"structure_string": "Ca2 Al4 Si2 O12\n1.0\n0.019980 0.000000 5.318751\n-4.654223 4.342904 1.324817\n-4.654223 -4.342904 1.324817\nCa Al Si O\n2 4 2 12\ndirect\n0.250001 0.311804 0.688196 Ca\n0.750001 0.688398 0.311601 Ca\n0.213809 0.813940 0.615168 Al\n0.286192 0.384832 0.186059 Al\n0.250001 0.911238 0.088761 Al\n0.750001 0.089790 0.910209 Al\n0.782079 0.194644 0.387056 Si\n0.717922 0.612943 0.805355 Si\n0.632302 0.804817 0.968989 O\n0.014439 0.327781 0.381189 O\n0.692888 0.096346 0.626494 O\n0.867699 0.031010 0.195182 O\n0.527004 0.372847 0.341464 O\n0.324502 0.899513 0.356727 O\n0.387202 0.178902 0.012938 O\n0.972997 0.658535 0.627152 O\n0.807113 0.373506 0.903653 O\n0.112799 0.987061 0.821098 O\n0.175499 0.643272 0.100486 O\n0.485562 0.618810 0.672218 O\n",
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{
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"created_at": "2022-09-04T14:37:29.298432Z",
"updated_at": "2022-09-04T14:37:29.298456Z",
"structure_string": "Al6 Cr2 O12\n1.0\n0.000000 5.222227 -0.002195\n4.858534 0.000000 0.000000\n0.000000 -0.707719 -7.108771\nAl Cr O\n6 2 12\ndirect\n0.294587 0.998216 0.853031 Al\n0.800038 0.497931 0.850134 Al\n0.205058 0.497655 0.646483 Al\n0.294587 0.001783 0.353031 Al\n0.800039 0.502068 0.350134 Al\n0.205058 0.502344 0.146483 Al\n0.699951 0.998015 0.649800 Cr\n0.699951 0.001984 0.149800 Cr\n0.153502 0.343726 0.402970 O\n0.851929 0.361284 0.095693 O\n0.646556 0.163686 0.398291 O\n0.499596 0.690316 0.253601 O\n0.009515 0.199046 0.755120 O\n0.851929 0.638715 0.595693 O\n0.339270 0.846116 0.594878 O\n0.153502 0.656273 0.902970 O\n0.009515 0.800953 0.255120 O\n0.646556 0.836313 0.898291 O\n0.499596 0.309683 0.753601 O\n0.339270 0.153883 0.094878 O\n",
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"formula_full": "Al6 Cr2 O12",
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},
{
"id": "jvasp-21352",
"created_at": "2022-09-04T14:37:14.762322Z",
"updated_at": "2022-09-04T14:37:14.762336Z",
"structure_string": "Ca2 Si4 W2 O12\n1.0\n4.943198 -0.053343 0.961701\n1.042048 6.732058 0.965328\n-0.174646 0.386164 6.867220\nCa Si W O\n2 4 2 12\ndirect\n0.750000 0.278863 0.721137 Ca\n0.250001 0.721137 0.278864 Ca\n0.290896 0.206220 0.397814 Si\n0.209103 0.602186 0.793780 Si\n0.790896 0.397815 0.206220 Si\n0.709104 0.793780 0.602186 Si\n0.249998 0.066039 0.933962 W\n0.749999 0.933964 0.066038 W\n0.639566 0.942565 0.767435 O\n0.860434 0.232565 0.057435 O\n0.677494 0.622440 0.112577 O\n0.822506 0.887425 0.377560 O\n0.322505 0.377559 0.887423 O\n0.942872 0.601836 0.678360 O\n0.057127 0.398164 0.321640 O\n0.442873 0.678360 0.601837 O\n0.360433 0.057436 0.232565 O\n0.557128 0.321641 0.398163 O\n0.177494 0.112575 0.622440 O\n0.139567 0.767436 0.942565 O\n",
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"formula_full": "Ca2 Si4 W2 O12",
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},
{
"id": "jvasp-21274",
"created_at": "2022-09-04T14:37:28.044934Z",
"updated_at": "2022-09-04T14:37:28.044960Z",
"structure_string": "Ca6 Te2 O12\n1.0\n0.000000 5.600326 -0.005910\n5.852534 0.000000 0.000000\n0.000000 -5.557204 -8.067308\nCa Te O\n6 2 12\ndirect\n0.728554 0.555594 0.745003 Ca\n0.271448 0.055595 0.754998 Ca\n0.271447 0.444405 0.254997 Ca\n0.728554 0.944405 0.245003 Ca\n0.500000 0.500000 0.000000 Ca\n0.500001 0.000000 0.500000 Ca\n0.000001 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.889876 0.555781 0.274095 O\n0.110125 0.055782 0.225905 O\n0.334178 0.178774 0.050678 O\n0.665823 0.678774 0.449322 O\n0.665824 0.821225 0.949322 O\n0.241418 0.724007 0.071087 O\n0.758584 0.275992 0.928914 O\n0.241418 0.775992 0.571087 O\n0.889877 0.944218 0.774095 O\n0.758583 0.224007 0.428913 O\n0.334178 0.321225 0.550678 O\n0.110126 0.444218 0.725906 O\n",
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"volume": 264.6070954516518,
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}
]
}