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{
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"results": [
{
"id": "jvasp-34441",
"created_at": "2022-09-04T14:38:13.067044Z",
"updated_at": "2022-09-04T14:38:13.067076Z",
"structure_string": "Cd2 C4 O8\n1.0\n0.000000 5.911163 -0.061787\n5.256133 0.000000 0.000000\n0.000000 -3.514362 -5.329300\nCd C O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Cd\n0.456412 0.877700 0.918116 C\n0.543588 0.122299 0.081885 C\n0.456412 0.622299 0.418116 C\n0.543588 0.377701 0.581885 C\n0.373575 0.267209 0.610763 O\n0.214340 0.696735 0.322916 O\n0.785660 0.303264 0.677085 O\n0.214341 0.803264 0.822916 O\n0.626425 0.732790 0.389237 O\n0.626425 0.767209 0.889237 O\n0.785660 0.196736 0.177085 O\n0.373575 0.232790 0.110763 O\n",
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{
"id": "jvasp-54931",
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"updated_at": "2022-09-04T14:38:13.473065Z",
"structure_string": "K8 Co4 Cl16\n1.0\n0.000000 6.655880 -0.037461\n9.554002 0.000000 0.000000\n0.000000 -3.572107 -12.007060\nK Co Cl\n8 4 16\ndirect\n0.780418 0.353649 0.008650 K\n0.219582 0.646351 0.991350 K\n0.401883 0.405054 0.665967 K\n0.598116 0.905054 0.834033 K\n0.219582 0.853649 0.491350 K\n0.401883 0.094946 0.165967 K\n0.598117 0.594946 0.334033 K\n0.780417 0.146351 0.508650 K\n0.879925 0.647351 0.680131 Co\n0.120075 0.352649 0.319868 Co\n0.879925 0.852648 0.180131 Co\n0.120074 0.147351 0.819869 Co\n0.204278 0.539242 0.432917 Cl\n0.222527 0.401965 0.165855 Cl\n0.225777 0.690811 0.722332 Cl\n0.700131 0.659937 0.100671 Cl\n0.299868 0.159937 0.399329 Cl\n0.777472 0.901965 0.334145 Cl\n0.225777 0.809189 0.222332 Cl\n0.204277 0.960758 0.932917 Cl\n0.700131 0.840063 0.600671 Cl\n0.774223 0.190811 0.777668 Cl\n0.774223 0.309189 0.277668 Cl\n0.222527 0.098035 0.665855 Cl\n0.777472 0.598035 0.834145 Cl\n0.795722 0.039242 0.067083 Cl\n0.299868 0.340063 0.899329 Cl\n0.795722 0.460758 0.567083 Cl\n",
"nsites": 28,
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"volume": 764.8109033489457,
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"formula_full": "K8 Co4 Cl16",
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{
"id": "jvasp-5845",
"created_at": "2022-09-04T14:38:13.444722Z",
"updated_at": "2022-09-04T14:38:13.444755Z",
"structure_string": "Nb4 I20\n1.0\n0.000000 10.719943 -0.113579\n6.442249 0.000000 0.000000\n0.000000 -4.832342 -13.231098\nNb I\n4 20\ndirect\n0.717926 0.487498 0.800514 Nb\n0.282074 0.987498 0.699486 Nb\n0.282074 0.512502 0.199486 Nb\n0.717926 0.012502 0.300514 Nb\n0.690577 0.259757 0.954570 I\n0.309423 0.759757 0.545431 I\n0.105199 0.763731 0.234317 I\n0.894801 0.263731 0.265683 I\n0.894801 0.236269 0.765683 I\n0.105199 0.736269 0.734317 I\n0.890198 0.751524 0.429318 I\n0.109801 0.251524 0.070683 I\n0.109802 0.248476 0.570683 I\n0.693907 0.760885 0.139920 I\n0.690577 0.240243 0.454570 I\n0.306093 0.260885 0.360080 I\n0.306093 0.239115 0.860080 I\n0.693907 0.739115 0.639920 I\n0.499950 0.744662 0.335448 I\n0.500050 0.244662 0.164552 I\n0.500050 0.255338 0.664552 I\n0.499950 0.755338 0.835448 I\n0.890199 0.748476 0.929318 I\n0.309423 0.740243 0.045431 I\n",
"nsites": 24,
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"elements": [
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"volume": 917.2826450184318,
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"formula_full": "Nb4 I20",
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{
"id": "jvasp-12876",
"created_at": "2022-09-04T14:38:13.337622Z",
"updated_at": "2022-09-04T14:38:13.337652Z",
"structure_string": "Na12 Al4 Te12\n1.0\n7.718440 0.000000 0.000000\n0.000000 8.042461 -0.069999\n0.000000 -0.031937 14.092377\nNa Al Te\n12 4 12\ndirect\n0.479786 0.723265 0.777493 Na\n0.979786 0.776734 0.722507 Na\n0.520214 0.276734 0.222507 Na\n0.020214 0.223265 0.277493 Na\n0.499664 0.327368 0.604930 Na\n0.999664 0.172631 0.895070 Na\n0.500336 0.672632 0.395070 Na\n0.000336 0.827368 0.104930 Na\n0.501241 0.221096 0.901157 Na\n0.001241 0.278904 0.598843 Na\n0.498759 0.778904 0.098843 Na\n-0.001241 0.721096 0.401157 Na\n0.640421 0.083888 0.416884 Al\n0.140421 0.416112 0.083116 Al\n0.359579 0.916112 0.583116 Al\n0.859579 0.583887 0.916884 Al\n0.709296 0.918574 0.574270 Te\n0.209296 0.581425 0.925730 Te\n0.290704 0.081425 0.425730 Te\n0.790704 0.418574 0.074270 Te\n0.258894 0.077279 0.733830 Te\n0.758894 0.422720 0.766170 Te\n0.741106 0.922720 0.266170 Te\n0.241106 0.577279 0.233830 Te\n0.740579 0.885348 0.924788 Te\n0.240579 0.614652 0.575213 Te\n0.259421 0.114652 0.075213 Te\n0.759421 0.385348 0.424788 Te\n",
"nsites": 28,
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"elements": [
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"Al",
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],
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"density": 3.6351677859081386,
"density_atomic": 0.032008391388370354,
"volume": 874.7706081278822,
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"formula_full": "Na12 Al4 Te12",
"formula_reduced": "Na3AlTe3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"id": "jvasp-27502",
"created_at": "2022-09-04T14:38:13.479597Z",
"updated_at": "2022-09-04T14:38:13.479624Z",
"structure_string": "Sr4 P4 Se12\n1.0\n0.000000 7.039021 0.004064\n7.819735 0.000000 0.000000\n0.000000 -6.731934 -9.827922\nSr P Se\n4 4 12\ndirect\n0.714307 0.891763 0.251613 Sr\n0.285694 0.391763 0.248387 Sr\n0.285694 0.108237 0.748387 Sr\n0.714307 0.608236 0.751613 Sr\n0.376412 0.892877 0.435879 P\n0.623588 0.392877 0.064121 P\n0.623588 0.107123 0.564121 P\n0.376413 0.607122 0.935879 P\n0.390070 0.305124 0.554311 Se\n0.609931 0.805123 0.945689 Se\n0.220049 0.797647 0.542344 Se\n0.779952 0.297647 0.957656 Se\n0.779952 0.202353 0.457656 Se\n0.871283 0.997333 0.767806 Se\n0.128718 0.002667 0.232194 Se\n0.871283 0.502667 0.267806 Se\n0.390069 0.194876 0.054312 Se\n0.128718 0.497333 0.732194 Se\n0.220048 0.702353 0.042344 Se\n0.609931 0.694876 0.445689 Se\n",
"nsites": 20,
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"elements": [
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"P",
"Se"
],
"chemical_system": "P-Se-Sr",
"density": 4.3663890421733385,
"density_atomic": 0.03698586540682068,
"volume": 540.74711460751,
"volume_molar": 16.282276198651385,
"formula_full": "Sr4 P4 Se12",
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"formula_anonymous": "ABC3",
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"spacegroup": 14
},
{
"id": "jvasp-59117",
"created_at": "2022-09-04T14:38:13.577055Z",
"updated_at": "2022-09-04T14:38:13.577080Z",
"structure_string": "Na12 B4 O12\n1.0\n0.000000 5.692641 -0.003559\n7.458093 0.000000 0.000000\n0.000000 -5.320242 -8.009287\nNa B O\n12 4 12\ndirect\n0.400275 0.220150 0.776340 Na\n0.599726 0.720150 0.723660 Na\n0.599726 0.779850 0.223660 Na\n0.400274 0.279850 0.276340 Na\n0.791868 0.473952 0.045167 Na\n0.208132 0.973952 0.454834 Na\n0.208132 0.526047 0.954834 Na\n0.791868 0.026048 0.545167 Na\n0.954175 0.849463 0.070323 Na\n0.045825 0.349463 0.429677 Na\n0.045825 0.150537 0.929678 Na\n0.954176 0.650537 0.570323 Na\n0.720152 0.339938 0.653672 B\n0.279849 0.839938 0.846329 B\n0.279849 0.660061 0.346328 B\n0.720151 0.160061 0.153672 B\n0.941023 0.146758 0.130026 O\n0.058977 0.646757 0.369974 O\n0.058977 0.853242 0.869974 O\n0.941024 0.353242 0.630026 O\n0.485267 0.266406 0.047021 O\n0.514734 0.766406 0.452979 O\n0.514734 0.733594 0.952979 O\n0.485267 0.233594 0.547022 O\n0.747364 0.082713 0.293941 O\n0.252636 0.582713 0.206059 O\n0.252636 0.917287 0.706059 O\n0.747365 0.417287 0.793942 O\n",
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"elements": [
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"volume": 340.18547616682895,
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"formula_full": "Na12 B4 O12",
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},
{
"id": "jvasp-55245",
"created_at": "2022-09-04T14:38:13.713509Z",
"updated_at": "2022-09-04T14:38:13.713530Z",
"structure_string": "Nd4 Ta4 O16\n1.0\n0.000000 7.642263 -0.007688\n5.515210 0.000000 0.000000\n0.000000 -1.324997 -7.643158\nNd Ta O\n4 4 16\ndirect\n0.348209 0.223401 0.101346 Nd\n0.651791 0.723401 0.398655 Nd\n0.651791 0.776599 0.898655 Nd\n0.348208 0.276599 0.601346 Nd\n0.165418 0.730857 0.306122 Ta\n0.834581 0.230857 0.193878 Ta\n0.834581 0.269143 0.693879 Ta\n0.165418 0.769143 0.806122 Ta\n0.939826 0.907007 0.300565 O\n0.060174 0.407007 0.199436 O\n0.166202 0.647864 0.556819 O\n0.833797 0.147865 0.943182 O\n0.833798 0.352135 0.443182 O\n0.166202 0.852135 0.056818 O\n0.384238 0.513379 0.330539 O\n0.331560 0.991048 0.371090 O\n0.615761 0.486621 0.669461 O\n0.384238 0.986621 0.830540 O\n0.939825 0.592993 0.800565 O\n0.668439 0.491048 0.128910 O\n0.668439 0.008952 0.628911 O\n0.331560 0.508952 0.871090 O\n0.615762 0.013379 0.169461 O\n0.060174 0.092993 0.699436 O\n",
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"density": 8.022973304166642,
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"volume": 322.2052425057816,
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},
{
"id": "jvasp-9610",
"created_at": "2022-09-04T14:38:13.809624Z",
"updated_at": "2022-09-04T14:38:13.809652Z",
"structure_string": "Na4 C4 O8\n1.0\n0.000000 3.427627 -0.046185\n5.290716 0.000000 0.000000\n0.000000 -0.528310 -10.379735\nNa C O\n4 4 8\ndirect\n0.697073 0.556495 0.144476 Na\n0.302928 0.056495 0.355524 Na\n0.302928 0.443506 0.855525 Na\n0.697073 0.943506 0.644476 Na\n0.886458 0.542926 0.436265 C\n0.113543 0.042926 0.063736 C\n0.113543 0.457075 0.563736 C\n0.886458 0.957075 0.936265 C\n0.829443 0.121793 0.849079 O\n0.170559 0.621793 0.650922 O\n0.170559 0.878208 0.150922 O\n0.829443 0.378207 0.349079 O\n0.775757 0.729128 0.930164 O\n0.224244 0.229127 0.569837 O\n0.224244 0.270873 0.069837 O\n0.775757 0.770873 0.430164 O\n",
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},
{
"id": "jvasp-59188",
"created_at": "2022-09-04T14:38:13.924466Z",
"updated_at": "2022-09-04T14:38:13.924476Z",
"structure_string": "Na12 Fe4 O12\n1.0\n0.000000 5.753412 0.035186\n12.625346 0.000000 0.000000\n0.000000 -3.293623 -5.314843\nNa Fe O\n12 4 12\ndirect\n0.447071 0.221322 0.307564 Na\n0.552929 0.721322 0.192435 Na\n0.542802 0.515866 0.781970 Na\n0.447071 0.278678 0.807564 Na\n0.542802 0.984134 0.281970 Na\n0.457197 0.484134 0.218029 Na\n0.064963 0.402313 0.360256 Na\n0.935037 0.902313 0.139743 Na\n0.935037 0.597687 0.639743 Na\n0.064963 0.097687 0.860256 Na\n0.457197 0.015866 0.718029 Na\n0.552929 0.778678 0.692434 Na\n0.917195 0.336721 0.743297 Fe\n0.082805 0.836721 0.756701 Fe\n0.082805 0.663279 0.256701 Fe\n0.917195 0.163279 0.243298 Fe\n0.970983 0.227850 0.548899 O\n0.029016 0.727850 0.951099 O\n0.029016 0.772150 0.451100 O\n0.970983 0.272150 0.048899 O\n0.452017 0.873131 0.953163 O\n0.547983 0.373130 0.546836 O\n0.179865 0.061570 0.300309 O\n0.820134 0.561570 0.199690 O\n0.820134 0.938430 0.699690 O\n0.179865 0.438430 0.800309 O\n0.547983 0.126870 0.046836 O\n0.452017 0.626870 0.453163 O\n",
"nsites": 28,
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"volume": 384.60076500926283,
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"formula_full": "Na12 Fe4 O12",
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"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"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",
"nsites": 40,
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"elements": [
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],
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"density": 4.204358399557271,
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"formula_full": "Rb16 Zn8 O16",
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"formula_anonymous": "AB2C2",
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"spacegroup": 14
},
{
"id": "jvasp-12805",
"created_at": "2022-09-04T14:38:14.307683Z",
"updated_at": "2022-09-04T14:38:14.307721Z",
"structure_string": "Li12 B4 O12\n1.0\n3.236434 -0.005135 0.000000\n-1.592621 8.183737 0.000000\n0.000000 0.000000 9.171824\nLi B O\n12 4 12\ndirect\n0.506536 0.982890 0.768524 Li\n0.493464 0.517112 0.268525 Li\n0.493464 0.017111 0.231475 Li\n0.506536 0.482889 0.731475 Li\n0.723698 0.888174 0.523639 Li\n0.276301 0.611827 0.023639 Li\n0.276301 0.111827 0.476360 Li\n0.723698 0.388174 0.976360 Li\n0.091578 0.631987 0.572425 Li\n0.908422 0.868014 0.072425 Li\n0.908422 0.368015 0.427574 Li\n0.091578 0.131987 0.927574 Li\n0.801116 0.245101 0.686800 B\n0.198884 0.254900 0.186800 B\n0.198884 0.754900 0.313200 B\n0.801116 0.745101 0.813200 B\n0.969827 0.900776 0.862392 O\n0.030173 0.599225 0.362393 O\n0.030172 0.099225 0.137607 O\n0.969827 0.400776 0.637607 O\n0.772464 0.611062 0.905556 O\n0.227536 0.888939 0.405556 O\n0.227536 0.388939 0.094444 O\n0.772464 0.111062 0.594443 O\n0.636198 0.720606 0.672170 O\n0.363802 0.779395 0.172170 O\n0.363802 0.279395 0.327830 O\n0.636198 0.220606 0.827829 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Li-O",
"density": 2.1779995675437354,
"density_atomic": 0.11529700275579642,
"volume": 242.85106577579558,
"volume_molar": 5.223154649349498,
"formula_full": "Li12 B4 O12",
"formula_reduced": "Li3BO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.8977304404761908,
"spacegroup": 14
},
{
"id": "jvasp-59126",
"created_at": "2022-09-04T14:38:14.347240Z",
"updated_at": "2022-09-04T14:38:14.347267Z",
"structure_string": "K4 Au4 I12\n1.0\n0.000000 7.175609 0.023096\n9.335499 0.000000 0.000000\n0.000000 -6.699825 -11.458753\nK Au I\n4 4 12\ndirect\n0.182097 0.119475 0.747814 K\n0.817901 0.619475 0.752185 K\n0.817902 0.880525 0.252185 K\n0.182098 0.380525 0.247815 K\n0.500000 0.500000 -0.000000 Au\n0.499999 0.000000 0.500000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.839514 0.662026 0.035648 I\n0.160485 0.162026 0.464352 I\n0.348060 0.504735 0.764889 I\n0.651938 0.004735 0.735110 I\n0.651939 0.495266 0.235110 I\n0.265576 0.654539 0.462042 I\n0.734423 0.345461 0.537958 I\n0.265576 0.845461 0.962042 I\n0.839513 0.837974 0.535648 I\n0.734423 0.154539 0.037958 I\n0.348061 0.995266 0.264889 I\n0.160485 0.337974 0.964352 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
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],
"chemical_system": "Au-I-K",
"density": 5.347152643291082,
"density_atomic": 0.026104442220664718,
"volume": 766.1531256227211,
"volume_molar": 23.069409831069944,
"formula_full": "K4 Au4 I12",
"formula_reduced": "KAuI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 14
}
]
}