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{
"id": "jvasp-85221",
"created_at": "2022-09-04T14:37:16.420221Z",
"updated_at": "2022-09-04T14:37:16.420248Z",
"structure_string": "Li2 Tm4 Cl10\n1.0\n5.744978 0.000000 -2.445119\n-0.209222 7.179932 -0.491580\n0.069700 0.127017 8.135439\nLi Tm Cl\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.734019 0.931739 0.846286 Tm\n0.265982 0.068261 0.153714 Tm\n0.887732 0.568261 0.153715 Tm\n0.112268 0.431740 0.846286 Tm\n0.878984 0.250000 0.000000 Cl\n0.732407 0.174350 0.589012 Cl\n0.495091 0.403118 0.181229 Cl\n0.267594 0.825650 0.410988 Cl\n0.504910 0.596883 0.818771 Cl\n0.121017 0.750000 0.000000 Cl\n0.856605 0.674350 0.589012 Cl\n0.686140 0.903117 0.181229 Cl\n0.143396 0.325650 0.410988 Cl\n0.313860 0.096883 0.818771 Cl\n",
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{
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"updated_at": "2022-09-04T14:37:16.332072Z",
"structure_string": "Y4 Hf2 O10\n1.0\n0.000000 5.491959 0.000000\n-5.911124 2.745980 0.052902\n-2.995109 0.000000 7.030575\nY Hf O\n4 2 10\ndirect\n0.632751 0.719408 0.754392 Y\n0.647841 0.719408 0.254392 Y\n0.352160 0.280591 0.745609 Y\n0.367249 0.280591 0.245609 Y\n0.000000 -0.000000 0.500000 Hf\n0.000000 0.000000 0.000000 Hf\n0.749997 0.849388 0.957990 O\n0.400615 0.849388 0.457990 O\n0.018004 0.652680 0.644691 O\n0.670686 0.347319 0.855310 O\n0.329315 0.652680 0.144690 O\n0.981996 0.347319 0.355310 O\n0.599386 0.150611 0.542011 O\n0.176271 -0.000000 0.750001 O\n0.250003 0.150611 0.042010 O\n0.823729 -0.000000 0.250000 O\n",
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{
"id": "jvasp-57254",
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"updated_at": "2022-09-04T14:37:16.354514Z",
"structure_string": "K4 S4 O14\n1.0\n7.121294 -0.025292 0.372687\n3.432304 6.239612 0.372687\n0.086854 0.051143 7.280535\nK S O\n4 4 14\ndirect\n0.206783 0.502174 0.859310 K\n0.502174 0.206784 0.359310 K\n0.497825 0.793215 0.640690 K\n0.793215 0.497826 0.140691 K\n0.075388 0.716738 0.364553 S\n0.283261 0.924612 0.135448 S\n0.924611 0.283261 0.635447 S\n0.716738 0.075388 0.864552 S\n0.071783 0.928216 0.250000 O\n0.137816 0.553282 0.229169 O\n0.446717 0.862183 0.270832 O\n0.346556 0.767844 0.993872 O\n0.767844 0.346557 0.493872 O\n0.928216 0.071783 0.750000 O\n0.862182 0.446717 0.770831 O\n0.806379 0.855073 0.930950 O\n0.553282 0.137817 0.729169 O\n0.232155 0.653443 0.506128 O\n0.855072 0.806380 0.430950 O\n0.193620 0.144927 0.069050 O\n0.653442 0.232156 0.006128 O\n0.144926 0.193620 0.569050 O\n",
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{
"id": "jvasp-34335",
"created_at": "2022-09-04T14:37:16.642565Z",
"updated_at": "2022-09-04T14:37:16.642574Z",
"structure_string": "P4 Pd4 O14\n1.0\n5.263383 0.000000 0.000000\n-2.631692 6.595677 -0.850470\n0.000000 0.004307 8.081986\nP Pd O\n4 4 14\ndirect\n0.490316 0.219000 0.268052 P\n0.509684 0.781001 0.731949 P\n0.271317 0.781001 0.231949 P\n0.728683 0.219000 0.768052 P\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.858850 0.223451 0.591456 O\n0.224598 0.620575 0.714465 O\n0.604024 0.379426 0.785536 O\n0.364601 0.223451 0.091455 O\n0.141150 0.776549 0.408545 O\n0.079691 0.773926 0.088605 O\n0.480581 0.000000 0.750000 O\n0.635399 0.776550 0.908545 O\n0.920309 0.226075 0.911396 O\n0.395977 0.620575 0.214465 O\n0.775402 0.379426 0.285535 O\n0.519418 0.000000 0.250000 O\n0.694234 0.773926 0.588605 O\n0.305766 0.226075 0.411396 O\n",
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{
"id": "jvasp-12964",
"created_at": "2022-09-04T14:37:16.574776Z",
"updated_at": "2022-09-04T14:37:16.574798Z",
"structure_string": "Cd4 As6 Br2\n1.0\n6.299552 -0.018091 -0.846262\n-0.944463 6.228377 -0.846262\n-0.011316 -0.013124 8.116444\nCd As Br\n4 6 2\ndirect\n0.907334 0.607848 0.697577 Cd\n0.392152 0.092667 0.802422 Cd\n0.607847 0.907334 0.197578 Cd\n0.092666 0.392153 0.302423 Cd\n0.919218 0.821745 0.023535 As\n0.178255 0.080782 0.476465 As\n0.080782 0.178256 0.976465 As\n0.789680 0.210320 0.750000 As\n0.210319 0.789681 0.250000 As\n0.821745 0.919219 0.523535 As\n0.365034 0.634966 0.750000 Br\n0.634965 0.365035 0.250000 Br\n",
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"density_atomic": 0.03771477137321253,
"volume": 318.17772090547993,
"volume_molar": 15.967591849906624,
"formula_full": "Cd4 As6 Br2",
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"formula_anonymous": "AB2C3",
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"spacegroup": 15
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{
"id": "jvasp-32751",
"created_at": "2022-09-04T14:37:16.790967Z",
"updated_at": "2022-09-04T14:37:16.790985Z",
"structure_string": "Al4 V2 Cl16\n1.0\n6.856994 0.000000 3.009971\n3.121018 8.420237 2.205451\n-0.079674 -0.081759 9.496923\nAl V Cl\n4 2 16\ndirect\n0.164960 0.644780 0.535508 Al\n0.345248 0.855221 0.964491 Al\n0.835040 0.355221 0.464492 Al\n0.654753 0.144779 0.035508 Al\n-0.009684 0.750000 0.250000 V\n0.009685 0.250000 0.750000 V\n0.163553 0.455171 0.721353 Cl\n0.852599 0.789890 0.529138 Cl\n0.702232 0.452831 0.688890 Cl\n0.659922 0.955171 0.221353 Cl\n0.147401 0.210110 0.470862 Cl\n0.340078 0.044829 0.778646 Cl\n0.843954 0.047169 0.811109 Cl\n0.828373 0.289890 0.029138 Cl\n0.297769 0.547170 0.311109 Cl\n0.655842 0.721853 0.948641 Cl\n0.156046 0.952831 0.188890 Cl\n0.171627 0.710110 0.970861 Cl\n0.673663 0.221853 0.448642 Cl\n0.326337 0.778147 0.551357 Cl\n0.344158 0.278147 0.051358 Cl\n0.836448 0.544830 0.278646 Cl\n",
"nsites": 22,
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"elements": [
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],
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"density": 2.342584116117892,
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"formula_full": "Al4 V2 Cl16",
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"spacegroup": 15
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{
"id": "jvasp-50033",
"created_at": "2022-09-04T14:37:17.120445Z",
"updated_at": "2022-09-04T14:37:17.120468Z",
"structure_string": "Ba2 Y2 Cl10\n1.0\n5.530162 3.739952 0.040257\n-5.530162 3.739952 -0.040257\n-3.995173 0.000000 9.933003\nBa Y Cl\n2 2 10\ndirect\n0.490198 0.490198 0.750000 Ba\n0.509801 0.509801 0.250000 Ba\n0.000000 -0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.048202 0.618971 0.631737 Cl\n0.793011 0.573518 0.026252 Cl\n0.381029 0.951797 0.131737 Cl\n0.055872 0.055872 0.750000 Cl\n0.573518 0.793011 0.473748 Cl\n0.426481 0.206988 0.526252 Cl\n0.944128 0.944128 0.250000 Cl\n0.618971 0.048202 0.868263 Cl\n0.206988 0.426481 -0.026252 Cl\n0.951797 0.381028 0.368263 Cl\n",
"nsites": 14,
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{
"id": "jvasp-52240",
"created_at": "2022-09-04T14:37:16.881126Z",
"updated_at": "2022-09-04T14:37:16.881155Z",
"structure_string": "Li8 Cu2 F14\n1.0\n7.470790 -0.031089 -0.216091\n-2.309013 7.105078 0.216091\n-0.947788 0.691586 5.251564\nLi Cu F\n8 2 14\ndirect\n0.045105 0.746517 0.357467 Li\n0.253484 0.954897 0.857467 Li\n0.314501 0.579114 0.793113 Li\n0.420887 0.685499 0.293114 Li\n0.579113 0.314502 0.706886 Li\n0.685499 0.420887 0.206886 Li\n0.746517 0.045104 0.142532 Li\n0.954896 0.253484 0.642532 Li\n0.231712 0.231712 0.250000 Cu\n0.768288 0.768289 0.749999 Cu\n0.788198 0.392780 0.545266 F\n0.607221 0.211802 0.045266 F\n0.817721 0.017211 0.833294 F\n0.667422 0.842742 0.409945 F\n0.553339 0.553340 0.749999 F\n0.446661 0.446661 0.250000 F\n0.157258 0.332579 0.909945 F\n0.182279 -0.017210 0.166705 F\n0.392780 0.788199 0.954733 F\n0.211802 0.607221 0.454733 F\n0.842742 0.667422 0.090055 F\n-0.017210 0.182279 0.333294 F\n0.332578 0.157259 0.590054 F\n0.017211 0.817722 0.666705 F\n",
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{
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"created_at": "2022-09-04T14:37:16.903190Z",
"updated_at": "2022-09-04T14:37:16.903206Z",
"structure_string": "Ca2 V2 F10\n1.0\n5.591628 -0.007590 -0.035681\n1.776922 5.302854 -0.025788\n2.663945 1.900651 6.911191\nCa V F\n2 2 10\ndirect\n0.455719 0.546593 0.249373 Ca\n0.546561 0.455748 0.749448 Ca\n0.001123 0.001190 0.999413 V\n0.001143 0.001156 0.499410 V\n0.917014 0.085939 0.749244 F\n0.085253 0.916374 0.249577 F\n0.795094 0.747303 0.619329 F\n0.255986 0.206109 0.879921 F\n0.282874 0.689554 0.969677 F\n0.312161 0.718634 0.529448 F\n0.719387 0.312870 0.029112 F\n0.690117 0.283649 0.469379 F\n0.746195 0.796351 0.118925 F\n0.207227 0.254976 0.379454 F\n",
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{
"id": "jvasp-85231",
"created_at": "2022-09-04T14:37:17.130846Z",
"updated_at": "2022-09-04T14:37:17.130858Z",
"structure_string": "Ce2 Nd2 I8\n1.0\n7.072978 0.148373 -2.436085\n-2.709144 6.922632 -3.277391\n-0.196588 0.075967 8.832785\nCe Nd I\n2 2 8\ndirect\n0.242267 0.492310 0.984481 Ce\n0.757733 0.507690 0.015519 Ce\n0.885531 0.135593 0.271074 Nd\n0.114469 0.864407 0.728926 Nd\n0.488960 0.249064 0.121868 I\n0.132646 0.872602 0.121806 I\n0.511041 0.750936 0.878132 I\n0.708515 0.810278 0.367189 I\n0.291486 0.189721 0.632811 I\n0.867355 0.127398 0.878194 I\n0.158617 0.556760 0.367123 I\n0.841383 0.443240 0.632877 I\n",
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},
{
"id": "jvasp-11561",
"created_at": "2022-09-04T14:37:17.234278Z",
"updated_at": "2022-09-04T14:37:17.234305Z",
"structure_string": "Mg2 Ti2 F10\n1.0\n4.968637 0.063887 -1.861391\n-2.029381 4.851327 -0.708836\n-0.084894 -0.060101 7.453574\nMg Ti F\n2 2 10\ndirect\n0.277668 0.527668 0.750000 Mg\n0.722334 0.472334 0.250000 Mg\n0.000000 0.000000 0.000000 Ti\n0.500001 0.000000 0.500000 Ti\n0.386200 0.136200 0.250000 F\n0.613802 0.863802 0.750000 F\n0.573644 0.716406 0.363833 F\n0.852571 0.209809 0.136167 F\n0.760776 0.669768 0.047977 F\n0.121791 0.712798 0.452023 F\n0.239227 0.330233 0.952023 F\n0.878211 0.287203 0.547977 F\n0.147431 0.790192 0.863833 F\n0.426359 0.283596 0.636167 F\n",
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{
"id": "jvasp-9432",
"created_at": "2022-09-04T14:37:17.216437Z",
"updated_at": "2022-09-04T14:37:17.216466Z",
"structure_string": "Ca2 Ge4 O10\n1.0\n5.389813 -0.012464 -1.293159\n-1.951424 5.024160 -1.293159\n-0.001302 -0.001898 6.944518\nCa Ge O\n2 4 10\ndirect\n0.330072 0.669929 0.750000 Ca\n0.669929 0.330072 0.250000 Ca\n0.315405 0.684596 0.250000 Ge\n0.684596 0.315405 0.750000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 -0.000000 0.500000 Ge\n0.689810 0.094185 0.897991 O\n0.905816 0.310190 0.602009 O\n0.310190 0.905816 0.102009 O\n0.094185 0.689810 0.397991 O\n0.249315 0.367686 0.069449 O\n0.632315 0.750685 0.430551 O\n0.071608 0.928392 0.750000 O\n0.928393 0.071608 0.250000 O\n0.367686 0.249315 0.569449 O\n0.750685 0.632315 0.930551 O\n",
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}
]
}