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{
"id": "jvasp-17366",
"created_at": "2022-09-04T14:38:29.168188Z",
"updated_at": "2022-09-04T14:38:29.168220Z",
"structure_string": "Zr3 Cu4 Ge2\n1.0\n3.236308 -5.605451 -0.000000\n3.236308 5.605451 0.000000\n-0.000000 0.000000 3.998328\nZr Cu Ge\n3 4 2\ndirect\n0.408395 0.408395 0.500000 Zr\n0.591605 0.000000 0.500000 Zr\n0.000000 0.591605 0.500000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.240025 0.000000 Cu\n0.240025 0.000000 0.000000 Cu\n0.759975 0.759975 0.000000 Cu\n0.666667 0.333333 0.000000 Ge\n0.333333 0.666667 0.000000 Ge\n",
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{
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"structure_string": "U4 Si8 W6\n1.0\n0.000000 6.794161 0.000533\n6.921607 0.000000 0.000000\n0.000000 -2.346941 -6.489393\nU Si W\n4 8 6\ndirect\n0.444255 0.664594 0.813865 U\n0.055744 0.164593 0.186135 U\n0.555744 0.335407 0.186135 U\n0.944255 0.835407 0.813865 U\n0.131457 0.454446 0.909874 Si\n0.368543 0.954447 0.090125 Si\n0.631457 0.045554 0.909875 Si\n0.868543 0.545554 0.090125 Si\n0.866887 0.134496 0.503051 Si\n0.366887 0.365504 0.503051 Si\n0.133113 0.865504 0.496949 Si\n0.633113 0.634496 0.496949 Si\n0.746302 0.339419 0.755228 W\n0.253698 0.660582 0.244772 W\n0.246302 0.160581 0.755228 W\n-0.000000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n0.753698 0.839419 0.244772 W\n",
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{
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"created_at": "2022-09-04T14:38:16.427530Z",
"updated_at": "2022-09-04T14:38:16.427565Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 6.412025 0.000065\n2.998142 0.000000 0.000000\n0.000000 -3.205970 -9.634645\nMn O F\n6 8 4\ndirect\n0.991598 0.000000 0.983167 Mn\n0.833311 0.500000 0.666666 Mn\n0.493883 0.500000 0.987733 Mn\n0.675095 0.000000 0.350168 Mn\n0.333309 0.000000 0.666668 Mn\n0.172806 0.500000 0.345605 Mn\n0.972328 0.000000 0.335962 O\n0.269768 0.500000 0.539586 O\n0.396861 0.500000 0.793750 O\n0.734056 0.500000 0.468105 O\n0.694361 0.000000 0.997368 O\n0.303040 0.000000 0.997377 O\n0.932619 0.500000 0.865226 O\n0.363657 0.000000 0.335971 O\n0.630118 0.000000 0.666656 F\n0.036492 0.000000 0.666656 F\n0.600503 0.500000 0.200965 F\n0.066206 0.500000 0.132372 F\n",
"nsites": 18,
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{
"id": "jvasp-56607",
"created_at": "2022-09-04T14:38:29.010185Z",
"updated_at": "2022-09-04T14:38:29.010210Z",
"structure_string": "Hf4 Al6 C8\n1.0\n1.667463 -2.888131 0.000000\n1.667463 2.888131 -0.000000\n0.000000 0.000000 22.185864\nHf Al C\n4 6 8\ndirect\n0.333332 0.666666 0.057509 Hf\n0.666666 0.333332 0.942491 Hf\n0.666666 0.333332 0.557509 Hf\n0.333332 0.666666 0.442491 Hf\n0.666666 0.333332 0.250000 Al\n0.000000 0.000000 0.658354 Al\n0.333332 0.666666 0.750000 Al\n0.000000 0.000000 0.341646 Al\n0.000000 0.000000 0.158353 Al\n0.000000 0.000000 0.841646 Al\n0.000000 0.000000 0.500000 C\n0.333332 0.666666 0.626725 C\n0.666666 0.333332 0.373275 C\n0.000000 0.000000 0.250000 C\n0.666666 0.333332 0.126725 C\n0.000000 0.000000 0.000000 C\n0.333332 0.666666 0.873275 C\n0.000000 0.000000 0.750000 C\n",
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{
"id": "jvasp-15992",
"created_at": "2022-09-04T14:36:22.212167Z",
"updated_at": "2022-09-04T14:36:22.212193Z",
"structure_string": "Zr3 Cu4 Si2\n1.0\n3.201606 -5.545344 -0.000000\n3.201606 5.545344 -0.000000\n0.000000 0.000000 3.988734\nZr Cu Si\n3 4 2\ndirect\n0.410116 0.410116 0.500000 Zr\n0.589885 0.000001 0.500000 Zr\n0.000001 0.589885 0.500000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.247217 0.000000 Cu\n0.247217 0.000000 0.000000 Cu\n0.752784 0.752784 0.000000 Cu\n0.666668 0.333334 0.000000 Si\n0.333334 0.666668 0.000000 Si\n",
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{
"id": "jvasp-101705",
"created_at": "2022-09-04T14:36:36.312694Z",
"updated_at": "2022-09-04T14:36:36.312722Z",
"structure_string": "Na2 Mn3 Te4\n1.0\n7.992843 0.032908 3.826497\n6.741026 4.294788 3.826497\n0.024061 0.007067 7.781267\nNa Mn Te\n2 3 4\ndirect\n0.237382 0.237383 0.767272 Na\n0.744631 0.744633 0.246269 Na\n0.573335 0.573337 0.770069 Mn\n0.940193 0.940195 0.709031 Mn\n0.447644 0.447645 0.237279 Mn\n0.869536 0.869538 0.458004 Te\n0.384428 0.384429 0.952326 Te\n0.117536 0.117537 0.536861 Te\n0.620519 0.620520 0.051893 Te\n",
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"spacegroup": 8
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{
"id": "jvasp-42431",
"created_at": "2022-09-04T14:36:21.368243Z",
"updated_at": "2022-09-04T14:36:21.368268Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.678277 0.010698 -0.019199\n0.010698 4.678277 -0.019199\n-0.038081 -0.038081 9.562714\nMn O F\n6 4 8\ndirect\n0.982926 0.950668 0.991990 Mn\n0.049333 0.017075 0.341344 Mn\n0.016870 0.983131 0.666667 Mn\n0.484032 0.525370 0.841947 Mn\n0.513926 0.486076 0.166667 Mn\n0.474631 0.515969 0.491386 Mn\n0.680352 0.674881 0.001870 O\n0.325120 0.319649 0.331463 O\n0.203999 0.821481 0.500569 O\n0.178520 0.796003 0.832764 O\n0.793243 0.222313 0.510156 F\n0.210976 0.789026 0.166667 F\n0.279551 0.266248 0.004250 F\n0.295192 0.322348 0.679103 F\n0.733754 0.720450 0.329083 F\n0.677654 0.704809 0.654230 F\n0.822243 0.177759 0.166667 F\n0.777689 0.206758 0.823176 F\n",
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{
"id": "jvasp-42679",
"created_at": "2022-09-04T14:36:35.690296Z",
"updated_at": "2022-09-04T14:36:35.690318Z",
"structure_string": "Fe6 O4 F8\n1.0\n0.000000 5.679586 0.033408\n4.729530 0.000000 0.000000\n0.000000 -0.515693 -7.817317\nFe O F\n6 4 8\ndirect\n0.227146 0.488031 0.496352 Fe\n0.574650 0.491375 0.851482 Fe\n0.898018 0.534077 0.178187 Fe\n0.772855 0.988031 0.503648 Fe\n0.425351 0.991375 0.148518 Fe\n0.101983 0.034077 0.821813 Fe\n0.619565 0.697208 0.067482 O\n0.957046 0.703872 0.397645 O\n0.042955 0.203872 0.602355 O\n0.380437 0.197208 0.932518 O\n0.452940 0.802653 0.400954 F\n0.709601 0.200403 0.271929 F\n0.881187 0.290960 0.945243 F\n0.547061 0.302653 0.599046 F\n0.212688 0.291422 0.261045 F\n0.290401 0.700403 0.728071 F\n0.118815 0.790960 0.054757 F\n0.787313 0.791422 0.738955 F\n",
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{
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"structure_string": "Y4 S3 N2\n1.0\n5.216727 -0.003242 4.255298\n1.409635 3.563312 0.000000\n0.011325 -0.004480 10.271103\nY S N\n4 3 2\ndirect\n0.221589 0.889205 0.648717 Y\n0.778411 0.110795 0.351283 Y\n0.582743 0.708628 0.144506 Y\n0.417257 0.291372 0.855494 Y\n0.000000 0.000000 0.000000 S\n0.781098 0.609452 0.782508 S\n0.218903 0.390548 0.217492 S\n0.564658 0.717672 0.360881 N\n0.435343 0.282328 0.639119 N\n",
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{
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"created_at": "2022-09-04T14:36:22.238192Z",
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"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.508370 0.027274\n4.525682 0.000000 0.000000\n0.000000 -4.529861 -8.860467\nMn O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.305744 0.018839 0.341824 Mn\n0.694257 0.981161 0.658177 Mn\n0.305744 0.481161 0.841824 Mn\n0.694257 0.518839 0.158177 Mn\n0.000000 0.500000 0.500000 Mn\n0.295797 0.802749 0.501204 O\n0.977047 0.819539 0.167564 O\n0.022954 0.319540 0.332437 O\n0.704205 0.302749 0.998797 O\n0.295796 0.697250 0.001203 O\n0.022954 0.180460 0.832437 O\n0.704204 0.197250 0.498797 O\n0.977047 0.680460 0.667564 O\n0.371775 0.294282 0.666652 F\n0.371775 0.205718 0.166652 F\n0.628226 0.705717 0.333349 F\n0.628226 0.794282 0.833349 F\n",
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{
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{
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"updated_at": "2022-09-04T14:36:22.284586Z",
"structure_string": "Te4 Mo3 S2\n1.0\n3.433622 0.000000 0.000000\n-1.716811 2.973684 0.000000\n0.000000 0.000000 21.158747\nTe Mo S\n4 3 2\ndirect\n0.666593 0.333183 0.945949 Te\n0.666599 0.333197 0.571677 Te\n0.666599 0.333197 0.122288 Te\n0.666593 0.333183 0.748015 Te\n0.333271 0.666543 0.034063 Mo\n0.333271 0.666543 0.659902 Mo\n0.666778 0.333557 0.346982 Mo\n0.333446 0.666895 0.417544 S\n0.333446 0.666895 0.276421 S\n",
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}