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{
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{
"id": "jvasp-91495",
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"structure_string": "Na8 Li12 Fe4 O16\n1.0\n6.554113 0.000000 0.000000\n0.000000 7.941422 -0.000000\n0.000000 -0.000000 8.270408\nNa Li Fe O\n8 12 4 16\ndirect\n0.758230 0.000000 0.500000 Na\n0.000000 0.256464 0.750227 Na\n0.000000 0.743535 0.249773 Na\n0.500000 0.756464 0.749773 Na\n0.500000 0.243536 0.250227 Na\n0.741769 0.500000 0.000000 Na\n0.258230 0.500000 0.000000 Na\n0.241769 0.000000 0.500000 Na\n0.756136 0.511989 0.647672 Li\n0.743863 0.988010 0.147672 Li\n0.743863 0.011989 0.852328 Li\n0.243863 0.511989 0.647672 Li\n0.243863 0.488010 0.352328 Li\n0.500000 0.232877 0.911563 Li\n0.756136 0.488010 0.352328 Li\n0.256137 0.988010 0.147672 Li\n0.000000 0.267122 0.411563 Li\n0.000000 0.732877 0.588437 Li\n0.256137 0.011989 0.852328 Li\n0.500000 0.767122 0.088437 Li\n0.000000 0.773101 0.878924 Fe\n0.000000 0.226899 0.121077 Fe\n0.500000 0.273101 0.621077 Fe\n0.500000 0.726899 0.378923 Fe\n0.246477 0.804501 0.991493 O\n0.000000 0.558380 0.775532 O\n0.000000 0.441620 0.224469 O\n0.500000 0.058380 0.724469 O\n0.500000 0.941620 0.275531 O\n0.246477 0.195498 0.008508 O\n0.753522 0.804501 0.991493 O\n0.746477 0.304502 0.508508 O\n0.500000 0.547912 0.222892 O\n0.500000 0.452088 0.777108 O\n0.000000 0.047912 0.277108 O\n0.000000 0.952088 0.722892 O\n0.253523 0.304502 0.508508 O\n0.253523 0.695498 0.491493 O\n0.753522 0.195498 0.008508 O\n0.746477 0.695498 0.491493 O\n",
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{
"id": "jvasp-29335",
"created_at": "2022-09-04T14:36:37.558569Z",
"updated_at": "2022-09-04T14:36:37.558595Z",
"structure_string": "Sb12 O8 F20\n1.0\n5.895274 0.000000 0.000000\n0.000000 8.488548 -2.748442\n0.000000 0.019192 13.232797\nSb O F\n12 8 20\ndirect\n0.032138 0.250000 0.000000 Sb\n0.967861 0.750000 0.000000 Sb\n0.445368 0.118503 0.206606 Sb\n0.445368 0.381497 0.793394 Sb\n0.554631 0.881497 0.793394 Sb\n0.554631 0.618503 0.206607 Sb\n0.398265 0.250000 0.500000 Sb\n0.601734 0.750000 0.500000 Sb\n0.039335 0.416183 0.359878 Sb\n0.039335 0.083816 0.640122 Sb\n0.960664 0.583817 0.640123 Sb\n0.960664 0.916184 0.359878 Sb\n0.823177 0.928971 0.506175 O\n0.176823 0.428971 0.506175 O\n0.176823 0.071029 0.493825 O\n0.823177 0.571029 0.493825 O\n0.736282 0.787358 0.661643 O\n0.263718 0.287358 0.661643 O\n0.263718 0.212642 0.338357 O\n0.736282 0.712642 0.338357 O\n0.762928 0.434744 0.151434 F\n0.762928 0.065256 0.848566 F\n0.873427 0.726145 0.150997 F\n0.873427 0.773855 0.849003 F\n0.126572 0.273855 0.849003 F\n0.126572 0.226145 0.150997 F\n0.556342 0.975698 0.292112 F\n0.556342 0.524302 0.707888 F\n0.443657 0.024302 0.707888 F\n0.738185 0.578794 0.956897 F\n0.738185 0.921206 0.043103 F\n0.261814 0.421206 0.043103 F\n0.261814 0.078794 0.956897 F\n0.202209 0.754121 0.357353 F\n0.202209 0.745879 0.642648 F\n0.797791 0.245879 0.642648 F\n0.797791 0.254121 0.357353 F\n0.237071 0.934744 0.151434 F\n0.443657 0.475698 0.292112 F\n0.237071 0.565256 0.848566 F\n",
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"volume": 662.5107777966064,
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{
"id": "jvasp-96855",
"created_at": "2022-09-04T14:36:11.068825Z",
"updated_at": "2022-09-04T14:36:11.068847Z",
"structure_string": "Ba4 Ca2 V4 Cu2 F28\n1.0\n5.402758 0.000000 0.000000\n-2.701379 6.967356 -0.238559\n0.000000 -0.084567 14.907225\nBa Ca V Cu F\n4 2 4 2 28\ndirect\n0.743369 0.628032 0.876817 Ba\n0.884664 0.628032 0.376817 Ba\n0.115336 0.371968 0.623182 Ba\n0.256632 0.371968 0.123182 Ba\n0.572000 -0.000000 0.250000 Ca\n0.428000 -0.000000 0.750000 Ca\n0.106655 0.248282 0.876470 V\n0.858373 0.751718 0.623530 V\n0.893345 0.751718 0.123530 V\n0.141627 0.248283 0.376470 V\n0.500000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.871673 0.287096 0.452829 F\n0.831506 0.487550 0.099617 F\n0.656044 0.487549 0.599616 F\n0.168297 0.754518 0.207718 F\n0.586221 0.754518 0.707718 F\n0.637985 0.680096 0.223122 F\n0.479931 0.104870 0.119033 F\n0.899857 0.181359 0.982184 F\n0.168495 0.512450 0.900383 F\n0.362015 0.319905 0.776877 F\n0.926333 0.010202 0.154806 F\n0.415423 0.287096 0.952829 F\n0.343956 0.512451 0.400383 F\n0.624938 0.104869 0.619033 F\n0.083869 0.010201 0.654806 F\n0.520069 0.895131 0.880967 F\n0.100143 0.818642 0.017816 F\n0.073667 0.989799 0.845194 F\n0.584577 0.712904 0.047171 F\n0.375062 0.895131 0.380967 F\n0.916131 0.989799 0.345194 F\n0.957890 0.319905 0.276878 F\n0.281502 0.181359 0.482184 F\n0.831703 0.245482 0.792282 F\n0.413779 0.245482 0.292282 F\n0.128327 0.712904 0.547171 F\n0.042110 0.680095 0.723122 F\n0.718498 0.818641 0.517815 F\n",
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"V",
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],
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"density_atomic": 0.0712958141046164,
"volume": 561.0427554878008,
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"formula_full": "Ba4 Ca2 V4 Cu2 F28",
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},
{
"id": "jvasp-26772",
"created_at": "2022-09-04T14:38:14.741582Z",
"updated_at": "2022-09-04T14:38:14.741617Z",
"structure_string": "Rb16 Zn8 O16\n1.0\n0.000000 9.570366 0.091825\n6.338679 0.000000 0.000000\n0.000000 -7.784902 -14.051340\nRb Zn O\n16 8 16\ndirect\n0.683821 0.583240 0.762041 Rb\n0.683821 0.916760 0.262041 Rb\n0.564856 0.437374 0.119768 Rb\n0.860511 0.822785 0.528272 Rb\n0.922858 0.138495 0.163937 Rb\n0.316179 0.083240 0.737958 Rb\n0.860511 0.677215 0.028272 Rb\n0.564856 0.062626 0.619768 Rb\n0.435144 0.937374 0.380231 Rb\n0.435144 0.562626 0.880231 Rb\n0.316179 0.416760 0.237958 Rb\n0.139490 0.322785 0.971727 Rb\n0.077142 0.861505 0.836062 Rb\n0.077142 0.638495 0.336062 Rb\n0.922859 0.361505 0.663937 Rb\n0.139489 0.177215 0.471727 Rb\n0.412316 0.946826 0.040193 Zn\n0.758087 0.377641 0.368392 Zn\n0.587685 0.053174 0.959807 Zn\n0.241913 0.622359 0.631608 Zn\n0.758087 0.122359 0.868392 Zn\n0.587685 0.446826 0.459807 Zn\n0.241913 0.877641 0.131608 Zn\n0.412316 0.553174 0.540193 Zn\n0.255076 0.778982 0.529429 O\n0.384906 0.106500 0.142493 O\n0.142002 0.689026 0.702159 O\n0.615095 0.893500 0.857507 O\n0.142002 0.810974 0.202159 O\n0.744924 0.278982 0.970571 O\n0.363121 0.134145 0.926695 O\n0.615095 0.606500 0.357507 O\n0.384906 0.393500 0.642493 O\n0.255076 0.721018 0.029429 O\n0.857999 0.310974 0.297841 O\n0.857999 0.189026 0.797841 O\n0.744924 0.221018 0.470571 O\n0.636880 0.865856 0.073305 O\n0.363120 0.365855 0.426695 O\n0.636880 0.634145 0.573305 O\n",
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},
{
"id": "jvasp-20848",
"created_at": "2022-09-04T14:38:29.370169Z",
"updated_at": "2022-09-04T14:38:29.370184Z",
"structure_string": "Sm6 Sb10 O24\n1.0\n8.963803 0.000000 -3.169183\n-4.481902 7.762881 -3.169183\n-0.000000 -0.000000 9.507549\nSm Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Sm\n0.500000 0.750000 0.250000 Sm\n0.250000 0.750000 0.500000 Sm\n0.750000 0.500000 0.250000 Sm\n0.250000 0.500000 0.750000 Sm\n0.750000 0.250000 0.500000 Sm\n0.278988 0.278988 0.000000 Sb\n0.721012 0.721012 0.000000 Sb\n0.000000 0.721012 0.721012 Sb\n0.000000 0.278988 0.278988 Sb\n0.721012 0.000000 0.721012 Sb\n0.486673 0.486673 0.486673 Sb\n0.513327 -0.000000 0.000000 Sb\n0.000000 0.513327 0.000000 Sb\n0.000000 0.000000 0.513327 Sb\n0.278988 0.000000 0.278988 Sb\n0.508412 0.708494 0.000000 O\n0.708494 0.508412 0.000000 O\n0.000000 0.708494 0.508412 O\n0.000000 0.508412 0.708494 O\n0.276647 0.800739 0.800740 O\n0.508412 0.000000 0.708494 O\n0.524092 0.524092 0.723353 O\n0.524092 0.723353 0.524092 O\n0.199260 0.000000 0.475908 O\n0.199260 0.475908 0.000000 O\n0.000000 0.199260 0.475908 O\n0.000000 0.475908 0.199261 O\n0.475908 0.199260 0.000000 O\n0.291506 0.799917 0.291506 O\n0.800739 0.800739 0.276648 O\n0.475908 0.000000 0.199261 O\n0.723352 0.524092 0.524092 O\n0.799916 0.291506 0.291506 O\n0.491588 0.491588 0.200084 O\n0.491588 0.200083 0.491588 O\n0.708494 0.000000 0.508412 O\n0.200083 0.491588 0.491588 O\n0.800739 0.276647 0.800740 O\n0.291506 0.291506 0.799917 O\n",
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{
"id": "jvasp-23432",
"created_at": "2022-09-04T14:38:14.631998Z",
"updated_at": "2022-09-04T14:38:14.632026Z",
"structure_string": "Mg8 Bi4 P4 O24\n1.0\n5.327559 -0.000000 0.000000\n-0.000000 7.852421 0.000000\n0.000000 0.000000 11.939782\nMg Bi P O\n8 4 4 24\ndirect\n0.750000 0.810629 0.599115 Mg\n0.750000 0.296996 0.093230 Mg\n0.750000 0.203004 0.593230 Mg\n0.250000 0.310630 0.900885 Mg\n0.250000 0.796996 0.406770 Mg\n0.250000 0.703004 0.906770 Mg\n0.250000 0.189370 0.400885 Mg\n0.750000 0.689370 0.099115 Mg\n0.250000 0.489293 0.599047 Bi\n0.250000 0.010707 0.099047 Bi\n0.750000 0.510707 0.400952 Bi\n0.750000 0.989293 0.900952 Bi\n0.750000 0.979147 0.301740 P\n0.250000 0.479147 0.198260 P\n0.250000 0.020853 0.698260 P\n0.750000 0.520853 0.801740 P\n0.750000 0.378591 0.713506 O\n0.992832 0.993239 0.374956 O\n0.492832 0.006761 0.625044 O\n0.498104 0.174166 0.994170 O\n0.750000 0.698807 0.747351 O\n0.250000 0.198807 0.752649 O\n0.507168 0.993239 0.374956 O\n0.001896 0.174166 0.994170 O\n0.007168 0.493239 0.125044 O\n0.998104 0.674166 0.505830 O\n0.998104 0.825834 0.005830 O\n0.007168 0.006761 0.625044 O\n0.250000 0.621409 0.286494 O\n0.250000 0.301193 0.252649 O\n0.750000 0.121409 0.213506 O\n0.750000 0.801193 0.247351 O\n0.250000 0.878591 0.786494 O\n0.992832 0.506761 0.874956 O\n0.507168 0.506761 0.874956 O\n0.001896 0.325834 0.494170 O\n0.501897 0.674166 0.505830 O\n0.498104 0.325834 0.494170 O\n0.492832 0.493239 0.125044 O\n0.501897 0.825834 0.005830 O\n",
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{
"id": "jvasp-20340",
"created_at": "2022-09-04T14:38:28.932920Z",
"updated_at": "2022-09-04T14:38:28.932954Z",
"structure_string": "Ca24 N16\n1.0\n9.316271 -0.000000 -3.293799\n-4.658135 8.068127 -3.293799\n0.000000 0.000000 9.881397\nCa N\n24 16\ndirect\n0.455735 0.463207 0.227522 Ca\n0.228213 0.272478 0.735684 Ca\n0.036793 0.492529 0.764316 Ca\n0.492529 0.764316 0.036793 Ca\n0.735684 0.228213 0.272478 Ca\n0.007471 0.044265 0.271787 Ca\n0.463207 0.227522 0.455736 Ca\n0.963207 0.507471 0.235684 Ca\n0.271787 0.007471 0.044265 Ca\n0.771787 0.727522 0.264316 Ca\n0.772478 0.544265 0.536793 Ca\n0.544264 0.536793 0.772478 Ca\n0.235684 0.963208 0.507471 Ca\n0.727522 0.264316 0.771787 Ca\n0.955735 0.728213 0.992529 Ca\n0.507471 0.235684 0.963207 Ca\n0.264316 0.771787 0.727522 Ca\n0.728213 0.992530 0.955736 Ca\n0.227522 0.455736 0.463207 Ca\n0.536793 0.772478 0.544265 Ca\n0.764316 0.036793 0.492529 Ca\n0.272478 0.735684 0.228213 Ca\n0.044264 0.271787 0.007471 Ca\n0.992529 0.955736 0.728213 Ca\n0.039570 0.750000 0.789570 N\n0.789570 0.039570 0.750000 N\n0.460430 0.250000 0.710430 N\n0.710430 0.460430 0.250000 N\n0.750000 0.789570 0.039570 N\n0.750000 0.289570 0.539570 N\n0.960430 0.250000 0.210430 N\n0.539570 0.750000 0.289570 N\n0.289570 0.539570 0.750000 N\n0.250000 0.210430 0.960430 N\n-0.000000 0.500000 -0.000000 N\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.210430 0.960431 0.250000 N\n0.250000 0.710430 0.460430 N\n",
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"volume": 742.7337983388995,
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{
"id": "jvasp-24278",
"created_at": "2022-09-04T14:38:28.944881Z",
"updated_at": "2022-09-04T14:38:28.944905Z",
"structure_string": "Ag8 Te8 O24\n1.0\n0.000000 6.544170 -0.002898\n7.020671 0.000000 0.000000\n0.000000 -0.176010 -13.424607\nAg Te O\n8 8 24\ndirect\n0.480165 0.171259 0.077513 Ag\n0.480165 0.328741 0.577513 Ag\n0.545369 0.437176 0.820710 Ag\n0.519835 0.671259 0.422487 Ag\n0.454631 0.562824 0.179290 Ag\n0.545369 0.062824 0.320710 Ag\n0.519835 0.828741 0.922487 Ag\n0.454631 0.937176 0.679290 Ag\n0.135278 0.154389 0.858294 Te\n0.008757 0.864709 0.408491 Te\n0.135278 0.345611 0.358294 Te\n0.008757 0.635291 0.908491 Te\n0.864722 0.654389 0.641706 Te\n0.864722 0.845611 0.141706 Te\n0.991243 0.135291 0.591509 Te\n0.991243 0.364709 0.091509 Te\n0.807313 0.855144 0.301081 O\n0.422312 0.353636 0.362571 O\n0.162165 0.318461 0.518860 O\n0.192687 0.144856 0.698919 O\n0.827534 0.945229 0.662604 O\n0.195406 0.829467 0.865966 O\n0.837835 0.818461 0.981141 O\n0.162165 0.181539 0.018860 O\n0.839858 0.415301 0.963820 O\n0.422312 0.146364 0.862572 O\n0.172466 0.445229 0.837396 O\n0.577688 0.646364 0.637429 O\n0.807313 0.644856 0.801082 O\n0.172466 0.054771 0.337396 O\n0.804594 0.329467 0.634035 O\n0.195406 0.670533 0.365965 O\n0.192687 0.355144 0.198919 O\n0.577688 0.853636 0.137429 O\n0.804594 0.170533 0.134035 O\n0.839858 0.084699 0.463820 O\n0.837835 0.681539 0.481141 O\n0.160142 0.915301 0.536180 O\n0.827534 0.554771 0.162604 O\n0.160142 0.584699 0.036180 O\n",
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],
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"volume": 616.7899613316876,
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},
{
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"structure_string": "Pr6 Sb10 O24\n1.0\n9.091650 -0.000000 -3.214384\n-4.545825 7.873600 -3.214384\n0.000000 0.000000 9.643151\nPr Sb O\n6 10 24\ndirect\n0.500000 0.250000 0.750000 Pr\n0.500000 0.750000 0.250001 Pr\n0.250000 0.750000 0.500000 Pr\n0.750000 0.500000 0.250001 Pr\n0.250000 0.500000 0.750000 Pr\n0.750000 0.250000 0.500000 Pr\n0.277642 0.277642 0.000000 Sb\n0.722358 0.722358 0.000001 Sb\n0.000000 0.722358 0.722358 Sb\n0.000000 0.277642 0.277642 Sb\n0.722358 0.000000 0.722358 Sb\n0.508283 0.508282 0.508283 Sb\n0.491718 0.000000 0.000000 Sb\n0.000000 0.491718 0.000000 Sb\n-0.000000 -0.000000 0.491718 Sb\n0.277642 0.000000 0.277642 Sb\n0.486937 0.289493 0.000000 O\n0.289493 0.486937 0.000000 O\n0.000000 0.289493 0.486937 O\n0.000000 0.486937 0.289493 O\n0.196689 0.196689 0.724683 O\n0.486937 0.000000 0.289493 O\n0.472006 0.275317 0.472006 O\n0.275317 0.472006 0.472006 O\n0.000000 0.527994 0.803311 O\n0.527994 -0.000000 0.803311 O\n0.803311 0.000000 0.527994 O\n0.196689 0.724683 0.196689 O\n0.724683 0.196689 0.196689 O\n0.710507 0.197444 0.710507 O\n0.000000 0.803311 0.527994 O\n0.527994 0.803311 0.000001 O\n0.472006 0.472006 0.275318 O\n0.197444 0.710507 0.710507 O\n0.513063 0.513063 0.802556 O\n0.513063 0.802556 0.513063 O\n0.289493 -0.000000 0.486937 O\n0.802556 0.513063 0.513063 O\n0.803311 0.527994 0.000001 O\n0.710507 0.710507 0.197445 O\n",
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{
"id": "jvasp-22903",
"created_at": "2022-09-04T14:38:29.279037Z",
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"structure_string": "K4 Hf4 Pd4 F28\n1.0\n6.267455 0.000000 0.000000\n-0.000000 8.917744 0.000000\n0.000000 0.000000 10.636579\nK Hf Pd F\n4 4 4 28\ndirect\n0.266078 0.000000 0.250000 K\n0.233922 0.500000 0.250000 K\n0.733923 0.000000 0.750000 K\n0.766078 0.500000 0.750000 K\n0.750001 0.750000 0.404927 Hf\n0.750001 0.250000 0.095073 Hf\n0.250000 0.250000 0.595073 Hf\n0.250000 0.750000 0.904927 Hf\n0.750001 0.750000 0.089087 Pd\n0.750001 0.250000 0.410913 Pd\n0.250000 0.750000 0.589087 Pd\n0.250000 0.250000 0.910913 Pd\n0.418849 0.677335 0.736898 F\n0.581152 0.677335 0.236898 F\n0.081151 0.177336 0.763102 F\n0.081151 0.822664 0.736898 F\n0.418849 0.322664 0.763102 F\n0.390620 0.053586 0.612680 F\n0.609381 0.946413 0.387320 F\n0.890621 0.553586 0.387320 F\n0.890621 0.446413 0.112680 F\n0.390620 0.946413 0.887320 F\n0.581152 0.322664 0.263102 F\n0.609381 0.053586 0.112680 F\n0.918849 0.177336 0.263102 F\n0.439651 0.664695 0.451502 F\n0.750001 0.750000 0.589983 F\n0.750001 0.250000 0.910018 F\n0.250000 0.250000 0.410018 F\n0.250000 0.750000 0.089982 F\n0.109380 0.446413 0.612680 F\n0.439651 0.335305 0.048498 F\n0.060349 0.164695 0.048498 F\n0.060349 0.835304 0.451502 F\n0.560350 0.335305 0.548498 F\n0.560350 0.664695 0.951502 F\n0.939651 0.835304 0.951502 F\n0.939651 0.164695 0.548498 F\n0.918849 0.822664 0.236898 F\n0.109380 0.553586 0.887320 F\n",
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"density_atomic": 0.06728399902944669,
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"formula_full": "K4 Hf4 Pd4 F28",
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},
{
"id": "jvasp-29390",
"created_at": "2022-09-04T14:38:03.870427Z",
"updated_at": "2022-09-04T14:38:03.870454Z",
"structure_string": "Mg8 Si8 O24\n1.0\n4.979775 0.000000 -1.673245\n0.000000 8.924212 0.000000\n-0.571764 0.000000 9.845198\nMg Si O\n8 8 24\ndirect\n0.691859 0.843202 0.278647 Mg\n0.191858 0.656797 0.278647 Mg\n0.349599 0.510955 0.767143 Mg\n0.308143 0.156797 0.721353 Mg\n0.808143 0.343203 0.721353 Mg\n0.650403 0.489045 0.232857 Mg\n0.150403 0.010955 0.232857 Mg\n0.849599 0.989045 0.767143 Mg\n0.242723 0.834332 0.569455 Si\n0.757278 0.165667 0.430545 Si\n0.292302 0.211430 0.985917 Si\n0.207699 0.711430 0.014083 Si\n0.742724 0.665667 0.569455 Si\n0.792302 0.288569 0.985917 Si\n0.257278 0.334332 0.430545 Si\n0.707700 0.788569 0.014083 Si\n0.463789 0.685293 0.618716 O\n0.889705 0.769733 0.906916 O\n0.110297 0.230267 0.093084 O\n0.289379 0.830459 0.150530 O\n0.765825 0.947093 0.100213 O\n0.111780 0.842579 0.390886 O\n0.388221 0.342579 0.609114 O\n0.568947 0.027457 0.348364 O\n0.610297 0.269733 0.093084 O\n0.036213 0.185293 0.381285 O\n0.710622 0.169541 0.849470 O\n0.963789 0.814706 0.618715 O\n0.536213 0.314706 0.381284 O\n0.931055 0.527457 0.651635 O\n0.234177 0.052907 0.899787 O\n0.431054 0.972542 0.651636 O\n0.888221 0.157421 0.609114 O\n0.789380 0.669541 0.150530 O\n0.068947 0.472543 0.348365 O\n0.734177 0.447093 0.899786 O\n0.611781 0.657421 0.390886 O\n0.210622 0.330459 0.849470 O\n0.389704 0.730267 0.906916 O\n0.265824 0.552907 0.100214 O\n",
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},
{
"id": "jvasp-23637",
"created_at": "2022-09-04T14:37:42.246156Z",
"updated_at": "2022-09-04T14:37:42.246173Z",
"structure_string": "Hf10 Ga20 Co10\n1.0\n7.322960 -0.000000 3.439651\n3.661480 8.648236 1.719825\n-0.015270 0.000000 9.547564\nHf Ga Co\n10 20 10\ndirect\n0.404114 0.719775 0.719775 Hf\n0.517860 0.000000 -0.000000 Hf\n0.054112 0.000000 -0.000000 Hf\n0.836395 0.000000 0.599220 Hf\n0.435616 0.400780 0.000000 Hf\n0.123889 0.280225 0.719775 Hf\n0.435616 0.000000 0.400780 Hf\n0.843665 0.280225 0.280225 Hf\n0.123889 0.719775 0.280225 Hf\n0.836394 0.599220 0.000000 Hf\n0.737749 0.508113 0.789369 Ga\n0.959877 0.838683 0.838683 Ga\n0.035231 0.210630 0.491887 Ga\n0.737749 0.789370 0.508113 Ga\n0.527119 0.508113 0.210630 Ga\n0.245862 0.491888 0.789369 Ga\n0.035231 0.491888 0.210631 Ga\n0.245862 0.789370 0.491888 Ga\n0.527119 0.210630 0.508112 Ga\n0.798560 0.161317 0.838683 Ga\n0.160571 0.260898 0.000000 Ga\n0.160572 0.000000 0.260897 Ga\n0.265003 0.384124 0.384123 Ga\n0.649126 0.615877 0.384124 Ga\n0.421468 0.000000 0.739102 Ga\n0.649126 0.384124 0.615876 Ga\n0.033249 0.615877 0.615877 Ga\n0.637243 0.161317 0.161317 Ga\n0.798560 0.838683 0.161317 Ga\n0.421468 0.739103 0.000000 Ga\n0.899346 0.500000 0.500000 Co\n0.399346 0.500000 0.500000 Co\n0.144557 0.000000 0.674810 Co\n0.819367 0.325190 0.000000 Co\n0.488936 0.215696 0.784304 Co\n0.273240 0.215696 0.215696 Co\n0.488936 0.784305 0.215696 Co\n0.704632 0.784305 0.784304 Co\n0.144557 0.674810 0.000000 Co\n0.819367 0.000000 0.325190 Co\n",
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}
]
}