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{
"id": "jvasp-54506",
"created_at": "2022-09-04T14:38:36.414972Z",
"updated_at": "2022-09-04T14:38:36.414997Z",
"structure_string": "Rb2 Cr6 S10\n1.0\n3.486907 -0.000000 0.572238\n1.286639 9.253839 3.069704\n0.007636 -0.040586 10.863240\nRb Cr S\n2 6 10\ndirect\n0.253525 0.658227 0.834725 Rb\n0.746477 0.341773 0.165274 Rb\n0.980669 0.266612 0.772054 Cr\n0.835380 0.940613 0.388630 Cr\n0.500000 0.000000 0.000000 Cr\n0.019333 0.733388 0.227946 Cr\n0.164622 0.059387 0.611370 Cr\n0.500001 0.500000 0.500000 Cr\n0.593637 0.732406 0.080322 S\n0.255789 0.104521 0.383902 S\n0.926388 0.995341 0.151885 S\n0.918799 0.512497 0.649909 S\n0.406366 0.267594 0.919678 S\n0.073615 0.004659 0.848114 S\n0.425940 0.757469 0.390655 S\n0.744214 0.895479 0.616098 S\n0.574062 0.242531 0.609345 S\n0.081204 0.487502 0.350091 S\n",
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{
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"structure_string": "Ti6 Si6 Ru6\n1.0\n5.840039 0.000000 -2.859786\n-1.662578 6.014109 -3.395191\n0.000875 -0.020359 7.394721\nTi Si Ru\n6 6 6\ndirect\n0.045061 0.026068 0.552133 Ti\n0.100732 0.554671 0.609341 Ti\n0.920617 0.753351 0.006703 Ti\n0.491391 0.445329 0.390659 Ti\n0.492926 0.973932 0.447866 Ti\n0.913913 0.246649 0.993296 Ti\n0.538638 0.781865 0.063729 Si\n0.474908 0.218135 0.936270 Si\n0.827412 0.338705 0.664996 Si\n0.162415 0.661294 0.335003 Si\n0.162415 0.173708 0.335002 Si\n0.827412 0.826292 0.664997 Si\n0.496880 0.408910 0.746913 Ru\n0.245327 0.500000 -0.000000 Ru\n0.245328 -0.000000 -0.000000 Ru\n0.496881 0.838000 0.746913 Ru\n0.749967 0.591090 0.253086 Ru\n0.749968 0.162000 0.253086 Ru\n",
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{
"id": "jvasp-110240",
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"updated_at": "2022-09-04T14:38:36.417031Z",
"structure_string": "In1 Bi3 Se6\n1.0\n4.099508 -0.016717 18.942640\n2.012095 3.571795 18.942640\n-0.028738 -0.016717 19.381143\nIn Bi Se\n1 3 6\ndirect\n0.200598 0.200597 0.200598 In\n0.700048 0.700046 0.700050 Bi\n0.298668 0.298667 0.298669 Bi\n0.801903 0.801900 0.801904 Bi\n0.604343 0.604341 0.604344 Se\n0.107646 0.107646 0.107646 Se\n0.889845 0.889841 0.889846 Se\n0.394563 0.394562 0.394564 Se\n0.999552 0.999549 0.999554 Se\n0.502835 0.502833 0.502836 Se\n",
"nsites": 10,
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"density_atomic": 0.03483631423930249,
"volume": 287.05677447121985,
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"spacegroup": 160
},
{
"id": "jvasp-111044",
"created_at": "2022-09-04T14:38:36.421840Z",
"updated_at": "2022-09-04T14:38:36.421861Z",
"structure_string": "In3 Ga1 Te4\n1.0\n6.753546 0.050272 -1.764459\n-4.018011 5.428489 -1.764459\n-0.025101 -0.050272 6.980191\nIn Ga Te\n3 1 4\ndirect\n0.500000 -0.000000 0.500000 In\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 In\n0.000000 0.000000 0.000000 Ga\n0.411235 0.411235 0.356361 Te\n0.054874 0.054874 0.643639 Te\n0.588766 0.945126 -0.000000 Te\n0.945127 0.588765 -0.000000 Te\n",
"nsites": 8,
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"formula_full": "In3 Ga1 Te4",
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{
"id": "jvasp-119200",
"created_at": "2022-09-04T14:38:36.427550Z",
"updated_at": "2022-09-04T14:38:36.427578Z",
"structure_string": "Co13 Mo13\n1.0\n4.712528 -0.001415 16.626282\n2.309565 4.107777 16.626282\n-0.002419 -0.001415 17.281237\nCo Mo\n13 13\ndirect\n0.200506 0.709500 0.709498 Co\n0.290501 0.290503 0.799493 Co\n0.794748 0.794752 0.296463 Co\n0.290500 0.799494 0.290502 Co\n0.794749 0.296465 0.794749 Co\n0.799492 0.290503 0.290501 Co\n0.000000 0.000000 0.000000 Co\n0.205249 0.205251 0.703537 Co\n0.709497 0.709500 0.200507 Co\n0.205249 0.703538 0.205250 Co\n0.709497 0.200509 0.709497 Co\n0.703536 0.205251 0.205250 Co\n0.296461 0.794752 0.794750 Co\n0.583428 0.583431 0.583429 Mo\n0.416570 0.416572 0.416570 Mo\n0.918598 0.918603 0.918600 Mo\n0.724771 0.724774 0.724772 Mo\n0.226203 0.226204 0.226203 Mo\n0.673613 0.673617 0.673614 Mo\n0.275227 0.275229 0.275228 Mo\n0.173790 0.173790 0.173790 Mo\n0.826208 0.826213 0.826209 Mo\n0.326384 0.326386 0.326385 Mo\n0.081399 0.081400 0.081399 Mo\n0.773795 0.773799 0.773796 Mo\n0.499999 0.500001 0.500000 Mo\n",
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"elements": [
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],
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"spacegroup": 166
},
{
"id": "jvasp-119634",
"created_at": "2022-09-04T14:38:36.436622Z",
"updated_at": "2022-09-04T14:38:36.436642Z",
"structure_string": "Rb2 Yb2 Zn2 Te6\n1.0\n8.579346 0.000097 0.000000\n-7.569983 4.037391 0.000000\n-0.000000 -0.000000 11.808325\nYb Rb Zn Te\n2 2 2 6\ndirect\n0.000000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.262405 0.737595 0.250000 Rb\n0.737596 0.262405 0.750000 Rb\n0.547346 0.452655 0.250000 Zn\n0.452655 0.547345 0.750000 Zn\n0.635425 0.364577 0.061097 Te\n0.364577 0.635424 0.938902 Te\n0.364577 0.635424 0.561097 Te\n0.635425 0.364577 0.438902 Te\n0.942387 0.057615 0.250000 Te\n0.057614 0.942386 0.750000 Te\n",
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"elements": [
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],
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"spacegroup": 63
},
{
"id": "jvasp-19368",
"created_at": "2022-09-04T14:38:36.443046Z",
"updated_at": "2022-09-04T14:38:36.443062Z",
"structure_string": "Ca4 Ag2 Sb2 O12\n1.0\n0.000000 5.745107 0.077445\n7.648530 0.000000 0.000000\n0.000000 -1.309733 -5.964794\nCa Ag Sb O\n4 2 2 12\ndirect\n0.469271 0.750000 0.421357 Ca\n0.530729 0.250000 0.578642 Ca\n0.953893 0.750000 0.955090 Ca\n0.046108 0.250000 0.044909 Ca\n0.500000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.346452 0.542471 0.669550 O\n0.598219 0.750000 0.073081 O\n0.653548 0.042471 0.330449 O\n0.096606 0.250000 0.441117 O\n0.121886 0.945620 0.231682 O\n0.878115 0.054380 0.768316 O\n0.121886 0.554380 0.231682 O\n0.346452 0.957529 0.669550 O\n0.903395 0.750000 0.558881 O\n0.653548 0.457529 0.330449 O\n0.878115 0.445620 0.768316 O\n0.401781 0.250000 0.926918 O\n",
"nsites": 20,
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],
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"volume": 261.326922891602,
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"formula_full": "Ca4 Ag2 Sb2 O12",
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},
{
"id": "jvasp-110809",
"created_at": "2022-09-04T14:38:36.452610Z",
"updated_at": "2022-09-04T14:38:36.452632Z",
"structure_string": "Li2 Ag1 Bi1\n1.0\n4.111747 -0.000000 2.373918\n1.370582 3.876592 2.373918\n-0.000000 -0.000000 4.747836\nLi Ag Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750001 Li\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Bi\n",
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},
{
"id": "jvasp-19337",
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"updated_at": "2022-09-04T14:38:36.454141Z",
"structure_string": "Mg4 Mo4 F20\n1.0\n0.000000 5.059353 0.029718\n10.200054 0.000000 0.000000\n0.000000 -2.403694 -7.226537\nMg Mo F\n4 4 20\ndirect\n0.526197 0.008358 0.219892 Mg\n0.473803 0.508358 0.280108 Mg\n0.473803 0.991642 0.780108 Mg\n0.526198 0.491642 0.719892 Mg\n0.105745 0.759034 0.369514 Mo\n0.894255 0.259034 0.130486 Mo\n0.894256 0.240965 0.630486 Mo\n0.105745 0.740965 0.869514 Mo\n0.128172 0.085938 0.748415 F\n0.237520 0.140402 0.174058 F\n0.762480 0.640402 0.325942 F\n0.850421 0.164512 0.366677 F\n0.237521 0.359597 0.674058 F\n0.149578 0.664511 0.133323 F\n0.871828 0.585937 0.751585 F\n0.762480 0.859597 0.825942 F\n0.871828 0.914062 0.251585 F\n0.645451 0.101417 0.007621 F\n0.354549 0.898583 0.992379 F\n0.645452 0.398583 0.507621 F\n0.850422 0.335488 0.866677 F\n0.354548 0.601416 0.492379 F\n0.432437 0.614864 0.889403 F\n0.567564 0.114864 0.610597 F\n0.567564 0.385136 0.110597 F\n0.432436 0.885135 0.389403 F\n0.128172 0.414062 0.248415 F\n0.149579 0.835488 0.633323 F\n",
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{
"id": "jvasp-110842",
"created_at": "2022-09-04T14:38:36.454788Z",
"updated_at": "2022-09-04T14:38:36.454807Z",
"structure_string": "Nd1 Pd2 Pb1\n1.0\n4.298597 -0.000000 2.481796\n1.432866 4.052756 2.481796\n-0.000000 -0.000000 4.963593\nNd Pd Pb\n1 2 1\ndirect\n0.500001 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750001 0.750000 Pd\n0.000000 0.000000 0.000000 Pb\n",
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{
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"created_at": "2022-09-04T14:38:36.463768Z",
"updated_at": "2022-09-04T14:38:36.463798Z",
"structure_string": "Ca4 Al6 Te1 O12\n1.0\n7.524552 0.000000 -2.660331\n-3.762276 6.516453 -2.660331\n-0.000000 -0.000000 7.980993\nCa Al Te O\n4 6 1 12\ndirect\n0.610947 -0.000000 -0.000000 Ca\n0.000000 0.000000 0.610947 Ca\n0.389052 0.389053 0.389053 Ca\n-0.000000 0.610947 -0.000000 Ca\n0.499999 0.750000 0.250000 Al\n0.500000 0.250000 0.750000 Al\n0.749999 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.750000 0.250000 0.500000 Al\n0.249999 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Te\n0.416028 0.715181 -0.000000 O\n-0.000000 0.416028 0.715181 O\n0.715181 0.416028 -0.000000 O\n-0.000001 0.715181 0.416028 O\n0.700846 0.284818 0.284818 O\n0.284818 0.700847 0.284818 O\n0.715181 0.000000 0.416028 O\n0.299153 0.583971 0.583971 O\n0.583971 0.299153 0.583971 O\n0.284818 0.284818 0.700847 O\n0.583971 0.583971 0.299153 O\n0.416028 0.000000 0.715181 O\n",
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],
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"density": 2.7233027620049293,
"density_atomic": 0.0587731531535847,
"volume": 391.33513799909474,
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"formula_full": "Ca4 Al6 Te1 O12",
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},
{
"id": "jvasp-59006",
"created_at": "2022-09-04T14:38:36.464956Z",
"updated_at": "2022-09-04T14:38:36.464977Z",
"structure_string": "Rb12 Cl8 O2\n1.0\n8.940063 0.026104 0.176091\n0.173169 8.938424 0.176091\n0.026538 0.026104 8.941758\nRb Cl O\n12 8 2\ndirect\n0.930318 0.058898 0.712201 Rb\n0.558899 0.430318 0.212201 Rb\n0.941101 0.287799 0.069682 Rb\n0.069682 0.941101 0.287799 Rb\n0.287800 0.069681 0.941101 Rb\n0.787799 0.441100 0.569682 Rb\n0.569682 0.787798 0.441101 Rb\n0.441101 0.569681 0.787799 Rb\n0.058899 0.712200 0.930318 Rb\n0.712200 0.930317 0.058899 Rb\n0.212201 0.558898 0.430318 Rb\n0.430318 0.212200 0.558899 Rb\n0.873389 0.626610 0.250000 Cl\n0.250000 0.873388 0.626611 Cl\n0.626611 0.249999 0.873389 Cl\n0.126611 0.373389 0.750000 Cl\n0.750000 0.126610 0.373389 Cl\n0.373389 0.749999 0.126611 Cl\n0.250000 0.250000 0.250000 Cl\n0.750000 0.749999 0.750000 Cl\n0.000000 0.000000 0.000000 O\n0.500000 0.499999 0.500000 O\n",
"nsites": 22,
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"elements": [
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],
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"volume": 714.4141734696897,
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}
]
}