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{
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{
"id": "jvasp-50442",
"created_at": "2022-09-04T14:37:18.105482Z",
"updated_at": "2022-09-04T14:37:18.105492Z",
"structure_string": "K4 Sr4 O6\n1.0\n0.000000 7.067478 0.017058\n7.113789 0.000000 0.000000\n0.000000 -3.426015 -6.241302\nK Sr O\n4 4 6\ndirect\n0.902783 0.345334 0.115886 K\n0.402783 0.154666 0.115887 K\n0.597216 0.845334 0.884113 K\n0.097216 0.654666 0.884113 K\n0.581334 0.621865 0.341345 Sr\n0.918665 0.121865 0.658654 Sr\n0.081334 0.878135 0.341345 Sr\n0.418665 0.378135 0.658654 Sr\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.000000 O\n0.736481 0.923099 0.342472 O\n0.763518 0.423099 0.657527 O\n0.236481 0.576901 0.342473 O\n0.263518 0.076901 0.657527 O\n",
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{
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"structure_string": "K2 Sn1 O6\n1.0\n4.875172 -0.468095 1.119391\n0.785264 4.834229 1.119391\n-0.606858 -0.468095 4.965084\nK Sn O\n2 1 6\ndirect\n0.650660 0.650659 0.650660 K\n0.349339 0.349339 0.349339 K\n0.000000 0.000000 0.000000 Sn\n0.931787 0.103128 0.589029 O\n0.589029 0.931786 0.103129 O\n0.103129 0.589028 0.931787 O\n0.068212 0.896870 0.410970 O\n0.410970 0.068212 0.896870 O\n0.896870 0.410970 0.068213 O\n",
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{
"id": "jvasp-52553",
"created_at": "2022-09-04T14:36:05.923119Z",
"updated_at": "2022-09-04T14:36:05.923144Z",
"structure_string": "K8 Sn4 O8\n1.0\n7.221689 -0.015557 0.005855\n-3.574663 -6.529103 -0.021460\n-3.321774 0.951235 -9.242394\nK Sn O\n8 4 8\ndirect\n0.390477 0.428234 0.135743 K\n0.935657 0.453833 0.174213 K\n0.930676 0.935780 0.185475 K\n0.241517 0.742755 0.509443 K\n0.758483 0.257244 0.490556 K\n0.069325 0.064219 0.814524 K\n0.064344 0.546166 0.825786 K\n0.609523 0.571765 0.864256 K\n0.602063 0.055515 0.872064 Sn\n0.303319 0.291370 0.525890 Sn\n0.696682 0.708629 0.474109 Sn\n0.397937 0.944484 0.127935 Sn\n0.064416 0.784878 0.018088 O\n0.504766 0.807635 0.009284 O\n0.340777 0.517485 0.374102 O\n0.803362 0.599323 0.350152 O\n0.196638 0.400676 0.649847 O\n0.659224 0.482514 0.625897 O\n0.495234 0.192364 0.990715 O\n0.935584 0.215121 0.981911 O\n",
"nsites": 20,
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{
"id": "jvasp-10106",
"created_at": "2022-09-04T14:37:58.723226Z",
"updated_at": "2022-09-04T14:37:58.723251Z",
"structure_string": "K8 Sn2 O8\n1.0\n6.527295 0.003500 0.006656\n2.522526 6.013369 0.043233\n3.092260 0.575052 9.275091\nK Sn O\n8 2 8\ndirect\n0.590709 0.242184 0.170535 K\n0.409293 0.757816 0.829465 K\n0.513241 0.774421 0.439142 K\n0.486761 0.225578 0.560858 K\n0.239851 0.258979 0.974612 K\n0.760150 0.741021 0.025388 K\n0.962326 0.720597 0.616347 K\n0.037675 0.279402 0.383653 K\n0.154558 0.780225 0.246712 Sn\n0.845443 0.219775 0.753288 Sn\n0.701357 0.469558 0.621343 O\n0.298644 0.530442 0.378657 O\n0.160161 0.031804 0.643102 O\n0.839840 0.968196 0.356898 O\n0.650575 0.028775 0.807430 O\n0.349426 0.971225 0.192570 O\n0.842898 0.365702 0.915568 O\n0.157104 0.634298 0.084432 O\n",
"nsites": 18,
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"formula_full": "K8 Sn2 O8",
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{
"id": "jvasp-10263",
"created_at": "2022-09-04T14:38:32.118009Z",
"updated_at": "2022-09-04T14:38:32.118041Z",
"structure_string": "K4 Sn4 O6\n1.0\n6.827227 0.000000 -2.413789\n-3.413614 5.912552 -2.413789\n-0.000000 -0.000000 7.241368\nK Sn O\n4 4 6\ndirect\n0.474906 0.500000 -0.000000 K\n0.025095 0.025095 0.025095 K\n0.000000 0.474905 0.500000 K\n0.500000 0.000000 0.474906 K\n0.500000 -0.000000 0.002036 Sn\n0.000000 0.002036 0.500000 Sn\n0.497964 0.497964 0.497964 Sn\n0.002036 0.500000 -0.000000 Sn\n0.750001 0.975586 0.225587 O\n0.250000 0.524413 0.274413 O\n0.975587 0.225587 0.750000 O\n0.225587 0.750000 0.975587 O\n0.274414 0.250000 0.524414 O\n0.524414 0.274413 0.250000 O\n",
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},
{
"id": "jvasp-52511",
"created_at": "2022-09-04T14:38:15.425856Z",
"updated_at": "2022-09-04T14:38:15.425885Z",
"structure_string": "K4 Sn4 O8\n1.0\n6.713895 -0.005146 0.016655\n-1.489395 6.381540 -0.025197\n-3.289666 -1.526019 6.481137\nK Sn O\n4 4 8\ndirect\n0.260278 0.976845 0.257408 K\n0.754308 0.546682 0.009781 K\n0.245486 0.458253 0.989677 K\n0.739526 0.028089 0.742067 K\n0.219456 0.911408 0.742091 Sn\n0.739280 0.511658 0.500578 Sn\n0.260504 0.493279 0.498881 Sn\n0.780336 0.093532 0.257374 Sn\n0.021768 0.701230 0.438911 O\n0.419888 0.701965 0.785736 O\n0.962990 0.716942 0.794922 O\n0.486904 0.677745 0.406997 O\n0.579905 0.302977 0.213724 O\n0.978022 0.303712 0.560551 O\n0.512879 0.327193 0.592459 O\n0.036796 0.287995 0.204536 O\n",
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"volume": 277.7634842000764,
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"formula_full": "K4 Sn4 O8",
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"spacegroup": 2
},
{
"id": "jvasp-8127",
"created_at": "2022-09-04T14:36:48.096428Z",
"updated_at": "2022-09-04T14:36:48.096445Z",
"structure_string": "K2 Sn2 O3\n1.0\n5.166002 -0.042690 2.779347\n1.641570 4.898434 2.779347\n-0.059848 -0.042690 5.865899\nK Sn O\n2 2 3\ndirect\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 K\n0.244311 0.244311 0.244311 Sn\n0.755689 0.755688 0.755691 Sn\n0.000000 0.500000 0.000000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.000000 O\n",
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{
"id": "jvasp-111240",
"created_at": "2022-09-04T14:38:46.710023Z",
"updated_at": "2022-09-04T14:38:46.710049Z",
"structure_string": "K1 Sm1 O2\n1.0\n3.417190 -0.011034 5.583102\n1.564617 3.037974 5.583102\n-0.018160 -0.011034 6.545829\nK Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500001 0.499999 Sm\n0.230681 0.230681 0.230680 O\n0.769319 0.769320 0.769318 O\n",
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},
{
"id": "jvasp-21391",
"created_at": "2022-09-04T14:37:30.657367Z",
"updated_at": "2022-09-04T14:37:30.657395Z",
"structure_string": "K4 Zr2 Si6 O18\n1.0\n3.473330 -6.015984 -0.000000\n3.473330 6.015984 -0.000000\n-0.000000 -0.000000 10.330831\nK Zr Si O\n4 2 6 18\ndirect\n0.333333 0.666667 0.054169 K\n0.666667 0.333333 0.554169 K\n0.333333 0.666667 0.445831 K\n0.666667 0.333333 0.945831 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.736524 0.121116 0.250000 Si\n0.615408 0.736524 0.750000 Si\n0.121116 0.384592 0.750000 Si\n0.384592 0.263476 0.250000 Si\n0.263476 0.878884 0.750000 Si\n0.878884 0.615408 0.250000 Si\n0.012090 0.253651 0.616339 O\n0.606469 0.518536 0.250000 O\n0.393531 0.481464 0.750000 O\n0.518536 0.912066 0.750000 O\n0.912066 0.393531 0.250000 O\n0.758439 0.012090 0.116339 O\n0.746349 0.758439 0.616339 O\n0.987910 0.746349 0.116339 O\n0.012090 0.253651 0.883661 O\n0.241561 0.987910 0.616339 O\n0.241561 0.987910 0.883661 O\n0.253651 0.241561 0.383661 O\n0.987910 0.746349 0.383661 O\n0.481464 0.087934 0.250000 O\n0.746349 0.758439 0.883661 O\n0.758439 0.012090 0.383661 O\n0.253651 0.241561 0.116339 O\n0.087934 0.606469 0.750000 O\n",
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{
"id": "jvasp-24329",
"created_at": "2022-09-04T14:38:18.358583Z",
"updated_at": "2022-09-04T14:38:18.358591Z",
"structure_string": "K8 Zr4 Si8 O28\n1.0\n0.000000 9.629530 0.066493\n5.616510 0.000000 0.000000\n0.000000 -6.522249 -12.640156\nK Zr Si O\n8 4 8 28\ndirect\n0.039045 0.754378 0.428519 K\n0.525656 0.245890 0.407068 K\n0.960955 0.254378 0.071481 K\n0.039045 0.745622 0.928519 K\n0.960956 0.245622 0.571481 K\n0.474344 0.754110 0.592932 K\n0.474344 0.745890 0.092932 K\n0.525656 0.254110 0.907068 K\n0.766430 0.241265 0.773502 Zr\n0.233570 0.741265 0.726499 Zr\n0.233570 0.758735 0.226499 Zr\n0.766430 0.258735 0.273502 Zr\n0.333350 0.250061 0.113879 Si\n0.333350 0.249939 0.613879 Si\n0.666650 0.749939 0.886122 Si\n0.666650 0.750062 0.386122 Si\n0.180219 0.233811 0.870763 Si\n0.819782 0.766189 0.129237 Si\n0.819782 0.733811 0.629238 Si\n0.180219 0.266189 0.370763 Si\n0.324513 0.216822 0.494100 O\n0.478383 0.754049 0.305695 O\n0.215652 0.970666 0.836840 O\n0.206078 0.056379 0.301322 O\n0.784348 0.470666 0.663161 O\n0.987245 0.750360 0.127282 O\n0.987245 0.749640 0.627282 O\n0.675488 0.716822 0.005900 O\n0.784348 0.029334 0.163161 O\n0.215652 0.529334 0.336840 O\n0.793922 0.556379 0.198679 O\n0.521617 0.245951 0.694306 O\n0.521617 0.254049 0.194306 O\n0.012755 0.249640 0.872719 O\n0.757141 0.978649 0.368992 O\n0.248574 0.501782 0.613867 O\n0.324513 0.283178 0.994101 O\n0.478383 0.745951 0.805695 O\n0.012755 0.250360 0.372719 O\n0.242859 0.021351 0.631009 O\n0.751426 0.498218 0.386133 O\n0.757141 0.521351 0.868992 O\n0.248574 0.998218 0.113867 O\n0.242859 0.478649 0.131009 O\n0.751426 0.001782 0.886133 O\n0.675488 0.783178 0.505900 O\n0.793923 0.943621 0.698679 O\n0.206078 0.443621 0.801322 O\n",
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{
"id": "jvasp-26654",
"created_at": "2022-09-04T14:37:56.987809Z",
"updated_at": "2022-09-04T14:37:56.987818Z",
"structure_string": "K4 Zn2 Si4 O12\n1.0\n5.745253 -0.032216 -0.000000\n-2.293833 5.267572 -0.000000\n0.000000 -0.000000 10.542996\nK Zn Si O\n4 2 4 12\ndirect\n0.286486 0.943650 0.574002 K\n0.056350 0.713513 0.925999 K\n0.713513 0.056349 0.074001 K\n0.943649 0.286485 0.425999 K\n0.195024 0.804976 0.250000 Zn\n0.804976 0.195023 0.750000 Zn\n0.362186 0.330865 0.863475 Si\n0.330866 0.362186 0.136525 Si\n0.669134 0.637813 0.636525 Si\n0.637813 0.669134 0.363475 Si\n0.217078 0.054843 0.121083 O\n0.117572 0.473808 0.164646 O\n0.449870 0.550129 0.750000 O\n0.945157 0.782921 0.378917 O\n0.054843 0.217078 0.878917 O\n0.550129 0.449870 0.250000 O\n0.882427 0.526191 0.664646 O\n0.512007 0.512007 0.500000 O\n0.526191 0.882427 0.335354 O\n0.782922 0.945156 0.621084 O\n0.473808 0.117572 0.835354 O\n0.487993 0.487992 0.000000 O\n",
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{
"id": "jvasp-89420",
"created_at": "2022-09-04T14:36:20.048666Z",
"updated_at": "2022-09-04T14:36:20.048681Z",
"structure_string": "K6 U6 Si4 O26\n1.0\n9.617710 0.000000 0.000000\n-4.808855 8.329182 -0.000000\n0.000000 -0.000000 8.437848\nK U Si O\n6 6 4 26\ndirect\n0.959566 0.574138 0.750000 K\n0.040433 0.614570 0.250000 K\n0.425862 0.385430 0.750000 K\n0.385429 0.425862 0.250000 K\n0.614570 0.040433 0.750000 K\n0.574137 0.959566 0.250000 K\n0.755757 0.755757 0.000000 U\n1.000000 0.244243 0.000000 U\n0.244243 -0.000000 0.500000 U\n0.244243 -0.000000 0.000000 U\n0.755757 0.755757 0.500000 U\n1.000000 0.244243 0.500000 U\n0.666667 0.333333 0.446046 Si\n0.333333 0.666667 0.946046 Si\n0.666667 0.333333 0.053955 Si\n0.333333 0.666667 0.553955 Si\n0.176993 0.503494 0.489438 O\n0.194561 0.194561 0.500000 O\n0.743889 0.747401 0.750000 O\n0.503494 0.176993 0.989438 O\n0.673498 0.496505 0.510562 O\n0.003511 0.256111 0.750000 O\n0.252599 0.996488 0.750000 O\n0.823007 0.326502 0.510562 O\n0.194561 0.194561 0.000000 O\n0.747400 0.743889 0.250000 O\n0.176993 0.503494 0.010562 O\n0.496504 0.673498 0.489438 O\n0.256111 0.003512 0.250000 O\n0.496504 0.673498 0.010562 O\n0.823007 0.326502 0.989438 O\n0.673498 0.496505 0.989438 O\n1.000000 0.805438 0.500000 O\n0.503494 0.176993 0.510562 O\n0.805438 -0.000000 0.500000 O\n0.666667 0.333333 0.250000 O\n1.000000 0.805438 0.000000 O\n0.326502 0.823007 0.489438 O\n0.326502 0.823007 0.010562 O\n0.996488 0.252599 0.250000 O\n0.805438 -0.000000 0.000000 O\n0.333333 0.666667 0.750000 O\n",
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"density": 5.382741445801857,
"density_atomic": 0.062136038752758624,
"volume": 675.9362335136844,
"volume_molar": 9.691864626199134,
"formula_full": "K6 U6 Si4 O26",
"formula_reduced": "K3U3Si2O13",
"formula_anonymous": "A2B3C3D13",
"energy_above_hull": 3.035545461904762,
"spacegroup": 190
}
]
}