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{
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{
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"structure_string": "Na12 B20 H8 O40\n1.0\n6.098524 0.000000 0.000000\n0.000000 11.229933 0.000000\n0.000000 0.000000 11.339001\nNa B H O\n12 20 8 40\ndirect\n0.918579 0.250098 0.861258 Na\n0.081421 0.750098 0.138742 Na\n0.918579 0.750098 0.638742 Na\n0.081421 0.250098 0.361258 Na\n0.474885 0.256095 0.065870 Na\n0.525115 0.756095 0.934130 Na\n0.474885 0.756095 0.434130 Na\n0.525115 0.256095 0.565870 Na\n0.651525 0.505267 0.743826 Na\n0.348475 0.005267 0.256174 Na\n0.651525 0.005267 0.756174 Na\n0.348475 0.505267 0.243826 Na\n0.862739 0.512820 0.247170 B\n0.137261 0.012820 0.752830 B\n0.862739 0.012820 0.252830 B\n0.137261 0.512820 0.747170 B\n0.722898 0.508546 0.458045 B\n0.277102 0.008546 0.541955 B\n0.722898 0.008546 0.041955 B\n0.277102 0.508546 0.958045 B\n0.961276 0.348748 0.104699 B\n0.038724 0.848748 0.895301 B\n0.961276 0.848748 0.395301 B\n0.038724 0.348748 0.604699 B\n0.063767 0.627409 0.411639 B\n0.936233 0.127409 0.588361 B\n0.063767 0.127409 0.088361 B\n0.936233 0.627409 0.911639 B\n0.672689 0.497148 0.039863 B\n0.327311 0.997148 0.960137 B\n0.672689 0.997148 0.460137 B\n0.327311 0.497148 0.539863 B\n0.415042 0.177653 0.819798 H\n0.584958 0.677653 0.180202 H\n0.415042 0.677653 0.680202 H\n0.584958 0.177653 0.319798 H\n0.412950 0.320459 0.815964 H\n0.587050 0.820459 0.184036 H\n0.412950 0.820459 0.684036 H\n0.587050 0.320459 0.315964 H\n0.001033 0.407569 0.208881 O\n0.998967 0.907569 0.791119 O\n0.001033 0.907569 0.291119 O\n0.998967 0.407569 0.708881 O\n0.003331 0.608331 0.288231 O\n0.996669 0.108331 0.711769 O\n0.003331 0.108331 0.211769 O\n0.996669 0.608331 0.788231 O\n0.722319 0.556427 0.152234 O\n0.277681 0.056427 0.847766 O\n0.722319 0.056427 0.347766 O\n0.277681 0.556427 0.652234 O\n0.715761 0.464358 0.344555 O\n0.284239 0.964358 0.655445 O\n0.715761 0.964358 0.155445 O\n0.284239 0.464358 0.844555 O\n0.570269 0.471225 0.540883 O\n0.429731 0.971225 0.459117 O\n0.570269 0.971225 0.959117 O\n0.429731 0.471225 0.040883 O\n0.880575 0.589237 0.492003 O\n0.119425 0.089237 0.507997 O\n0.880575 0.089237 0.007997 O\n0.119425 0.589237 0.992003 O\n0.098139 0.258100 0.067371 O\n0.901861 0.758100 0.932629 O\n0.098139 0.758100 0.432629 O\n0.901861 0.258100 0.567371 O\n0.787181 0.378478 0.032519 O\n0.212819 0.878478 0.967481 O\n0.787181 0.878478 0.467481 O\n0.212819 0.378478 0.532519 O\n0.723951 0.569945 0.937892 O\n0.276049 0.069945 0.062108 O\n0.723951 0.069945 0.562108 O\n0.276049 0.569945 0.437892 O\n0.507008 0.250385 0.799644 O\n0.492992 0.750385 0.200356 O\n0.507008 0.750385 0.700356 O\n0.492992 0.250385 0.299644 O\n",
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"volume": 776.5630029903324,
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"formula_full": "Na12 B20 H8 O40",
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{
"id": "mp-20320",
"created_at": "2022-09-04T14:39:12.305073Z",
"structure_string": "In4 Te4\n1.0\n-4.313717 4.313717 3.613359\n4.313717 -4.313717 3.613359\n4.313717 4.313717 -3.613359\nIn Te\n4 4\ndirect\n0.750000 0.750000 0.000000 In\n0.250000 0.250000 0.000000 In\n0.250000 0.750000 0.500000 In\n0.750000 0.250000 0.500000 In\n0.682042 0.182042 0.864084 Te\n0.182042 0.317958 0.500000 Te\n0.817958 0.682042 0.500000 Te\n0.317958 0.817958 0.135916 Te\n",
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{
"id": "mp-541285",
"created_at": "2022-09-04T14:39:06.963241Z",
"structure_string": "Th4 Te8 O24\n1.0\n11.429850 0.000000 0.000000\n0.000000 7.272453 0.000000\n0.000000 4.981206 7.303176\nTh Te O\n4 8 24\ndirect\n0.091397 0.253505 0.003649 Th\n0.591397 0.746495 0.496351 Th\n0.908603 0.746495 0.996351 Th\n0.408603 0.253505 0.503649 Th\n0.278593 0.808970 0.424810 Te\n0.778593 0.191030 0.075190 Te\n0.721407 0.191030 0.575190 Te\n0.221407 0.808970 0.924810 Te\n0.921569 0.725668 0.549372 Te\n0.421569 0.274332 0.950628 Te\n0.078431 0.274332 0.450628 Te\n0.578431 0.725668 0.049372 Te\n0.249772 0.965510 0.170358 O\n0.749772 0.034490 0.329642 O\n0.750228 0.034490 0.829642 O\n0.250228 0.965510 0.670358 O\n0.402477 0.998530 0.408797 O\n0.902477 0.001470 0.091203 O\n0.597523 0.001470 0.591203 O\n0.097523 0.998530 0.908797 O\n0.402179 0.613448 0.453404 O\n0.902179 0.386552 0.046596 O\n0.597821 0.386552 0.546596 O\n0.097821 0.613448 0.953404 O\n0.016730 0.472132 0.709722 O\n0.516730 0.527868 0.790278 O\n0.983270 0.527868 0.290278 O\n0.483270 0.472132 0.209722 O\n0.901754 0.853709 0.687198 O\n0.401754 0.146291 0.812802 O\n0.098246 0.146291 0.312802 O\n0.598246 0.853709 0.187198 O\n0.776194 0.573651 0.613784 O\n0.276194 0.426349 0.886216 O\n0.223806 0.426349 0.386216 O\n0.723806 0.573651 0.113784 O\n",
"nsites": 36,
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"elements": [
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],
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"formula_full": "Th4 Te8 O24",
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"energy": -262.32545383,
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{
"id": "mp-1040014",
"created_at": "2022-09-04T14:39:12.321628Z",
"structure_string": "Li1 Mg30 Bi1 O32\n1.0\n8.595904 0.000000 0.000000\n0.000000 8.595904 0.000000\n0.000000 0.000000 8.590002\nLi Mg Bi O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.253610 0.000000 0.239304 Mg\n0.253610 0.000000 0.760696 Mg\n0.746390 0.000000 0.239304 Mg\n0.746390 0.000000 0.760696 Mg\n0.249956 0.500000 0.248407 Mg\n0.249956 0.500000 0.751593 Mg\n0.750044 0.500000 0.248407 Mg\n0.750044 0.500000 0.751593 Mg\n0.000000 0.253610 0.239304 Mg\n0.000000 0.253610 0.760696 Mg\n0.500000 0.249956 0.248407 Mg\n0.500000 0.249956 0.751593 Mg\n0.000000 0.746390 0.239304 Mg\n0.000000 0.746390 0.760696 Mg\n0.500000 0.750044 0.248407 Mg\n0.500000 0.750044 0.751593 Mg\n0.247388 0.247388 0.000000 Mg\n0.256575 0.256575 0.500000 Mg\n0.752612 0.247388 0.000000 Mg\n0.743425 0.256575 0.500000 Mg\n0.247388 0.752612 0.000000 Mg\n0.256575 0.743425 0.500000 Mg\n0.752612 0.752612 0.000000 Mg\n0.743425 0.743425 0.500000 Mg\n0.000000 0.000000 0.500000 Bi\n0.000000 0.259841 0.000000 O\n0.000000 0.266808 0.500000 O\n0.500000 0.251600 0.000000 O\n0.500000 0.252510 0.500000 O\n0.000000 0.740159 0.000000 O\n0.000000 0.733192 0.500000 O\n0.500000 0.748400 0.000000 O\n0.500000 0.747490 0.500000 O\n0.249127 0.249127 0.251604 O\n0.249127 0.249127 0.748396 O\n0.750873 0.249127 0.251604 O\n0.750873 0.249127 0.748396 O\n0.249127 0.750873 0.251604 O\n0.249127 0.750873 0.748396 O\n0.750873 0.750873 0.251604 O\n0.750873 0.750873 0.748396 O\n0.000000 0.000000 0.233591 O\n0.000000 0.000000 0.766409 O\n0.500000 0.000000 0.249626 O\n0.500000 0.000000 0.750374 O\n0.000000 0.500000 0.249626 O\n0.000000 0.500000 0.750374 O\n0.500000 0.500000 0.250503 O\n0.500000 0.500000 0.749497 O\n0.259841 0.000000 0.000000 O\n0.266808 0.000000 0.500000 O\n0.740159 0.000000 0.000000 O\n0.733192 0.000000 0.500000 O\n0.251600 0.500000 0.000000 O\n0.252510 0.500000 0.500000 O\n0.748400 0.500000 0.000000 O\n0.747490 0.500000 0.500000 O\n",
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{
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"structure_string": "B4 Ru2\n1.0\n2.883110 0.000000 0.000000\n0.000000 4.055214 0.000000\n0.000000 0.000000 4.666800\nB Ru\n4 2\ndirect\n0.000000 0.363571 0.803892 B\n0.500000 0.636429 0.696108 B\n0.000000 0.363571 0.196108 B\n0.500000 0.636429 0.303892 B\n0.000000 0.848313 0.000000 Ru\n0.500000 0.151687 0.500000 Ru\n",
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{
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"structure_string": "Cs3 Sb1 Cl6\n1.0\n0.000000 5.938787 5.938787\n5.938787 0.000000 5.938787\n5.938787 5.938787 0.000000\nCs Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Sb\n0.775409 0.224591 0.224591 Cl\n0.224591 0.224591 0.775409 Cl\n0.224591 0.775409 0.775409 Cl\n0.224591 0.775409 0.224591 Cl\n0.775409 0.224591 0.775409 Cl\n0.775409 0.775409 0.224591 Cl\n",
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{
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{
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