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{
"id": "jvasp-52141",
"created_at": "2022-09-04T14:37:13.683237Z",
"updated_at": "2022-09-04T14:37:13.683248Z",
"structure_string": "Sr2 Ce4 S8\n1.0\n7.494740 0.001454 -0.001609\n-2.496876 7.065049 0.001627\n-2.500247 -3.532308 6.119045\nSr Ce S\n2 4 8\ndirect\n0.125007 0.750000 0.874998 Sr\n0.374996 0.250000 0.625008 Sr\n0.249989 0.626377 0.376379 Ce\n0.623617 0.373616 0.250011 Ce\n0.750010 0.873616 0.123618 Ce\n0.876378 0.126377 0.749990 Ce\n0.990301 0.846834 0.491371 S\n0.991370 0.346833 0.490302 S\n0.508642 0.998951 0.355485 S\n0.143448 0.153158 0.144530 S\n0.356538 0.501064 0.009687 S\n0.509686 0.001064 0.856539 S\n0.644529 0.653158 0.643449 S\n0.855484 0.498951 0.008642 S\n",
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{
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"structure_string": "Ba3 Ti3 O8\n1.0\n5.768993 -0.054785 -0.069278\n-2.931942 4.968701 0.069278\n-0.084131 0.048572 7.011080\nBa Ti O\n3 3 8\ndirect\n0.001570 0.998430 0.001331 Ba\n0.331764 0.668235 0.665340 Ba\n0.666666 0.333333 0.333336 Ba\n0.984564 0.015433 0.517750 Ti\n0.348767 0.651232 0.148922 Ti\n0.666666 0.333333 0.833336 Ti\n0.001837 0.505809 0.006333 O\n0.166667 0.333333 0.333335 O\n0.494190 0.998162 0.006333 O\n0.666667 0.833332 0.333335 O\n0.331495 0.160857 0.660339 O\n0.500211 0.499788 0.993274 O\n0.839142 0.668503 0.660339 O\n0.833121 0.166877 0.673396 O\n",
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{
"id": "jvasp-50155",
"created_at": "2022-09-04T14:37:13.565651Z",
"updated_at": "2022-09-04T14:37:13.565679Z",
"structure_string": "Cd2 Ag4 O8\n1.0\n-6.892728 0.000000 0.000000\n-3.446364 0.000000 6.303271\n3.446364 4.839070 0.000000\nCd Ag O\n2 4 8\ndirect\n0.875000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.496125 0.007752 0.250000 Ag\n0.746125 0.507752 0.750000 Ag\n0.253875 0.492248 0.250000 Ag\n0.503876 0.992248 0.750000 Ag\n0.917768 0.505573 0.163845 O\n0.740505 0.005573 0.663845 O\n0.746076 0.994427 0.163845 O\n0.576660 0.505573 0.336155 O\n0.253925 0.005573 0.836155 O\n0.423340 0.494427 0.663845 O\n0.259496 0.994427 0.336155 O\n0.082232 0.494427 0.836155 O\n",
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"density": 6.194507034444375,
"density_atomic": 0.06658999941141162,
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-10059",
"created_at": "2022-09-04T14:37:31.050819Z",
"updated_at": "2022-09-04T14:37:31.050851Z",
"structure_string": "Ca2 V4 O8\n1.0\n6.187346 -0.014755 -0.076323\n3.080895 5.365776 -0.076323\n3.027096 1.747695 4.943227\nCa V O\n2 4 8\ndirect\n0.124999 0.625001 0.625001 Ca\n0.625000 0.125000 0.625001 Ca\n0.994454 0.994454 0.005547 V\n0.255546 0.255546 0.244455 V\n0.625000 0.625000 0.125001 V\n0.625000 0.625000 0.625001 V\n0.390824 0.390825 0.338059 O\n0.395566 0.877144 0.363645 O\n0.390824 0.390825 0.880294 O\n0.877144 0.395567 0.363645 O\n0.372854 0.854433 0.886358 O\n0.854433 0.372855 0.886358 O\n0.859175 0.859175 0.369708 O\n0.859175 0.859176 0.911943 O\n",
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{
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"created_at": "2022-09-04T14:37:13.463053Z",
"updated_at": "2022-09-04T14:37:13.463074Z",
"structure_string": "Mn2 Zn2 F10\n1.0\n5.132387 -0.026581 -0.034404\n-1.847515 5.095459 -0.076398\n-2.164922 -2.305402 6.904179\nMn Zn F\n2 2 10\ndirect\n0.997014 -0.000607 -0.000814 Mn\n0.496996 -0.000619 0.499175 Mn\n0.791300 0.518250 0.259274 Zn\n0.202698 0.480515 0.739084 Zn\n0.885317 0.165092 0.768657 F\n0.108641 0.833665 0.229678 F\n0.338222 0.215685 0.615690 F\n0.001103 0.713256 0.824718 F\n0.595426 0.759211 0.953407 F\n0.260308 0.693648 0.549230 F\n0.398570 0.239585 0.044922 F\n0.733622 0.305113 0.449099 F\n0.992899 0.285520 0.173647 F\n0.655763 0.783082 0.382655 F\n",
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{
"id": "jvasp-41760",
"created_at": "2022-09-04T14:37:31.134812Z",
"updated_at": "2022-09-04T14:37:31.134841Z",
"structure_string": "Ba1 Na2 Mg1 P2 O8\n1.0\n2.663495 -4.613308 -0.000000\n2.663495 4.613308 -0.000000\n-0.000000 0.000000 7.009164\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333332 0.666666 0.819014 Na\n0.666666 0.333332 0.180986 Na\n0.000000 0.000000 0.000000 Mg\n0.666666 0.333332 0.744202 P\n0.333332 0.666666 0.255798 P\n0.874764 0.231385 0.822295 O\n0.356620 0.125234 0.822295 O\n0.768612 0.643378 0.822295 O\n0.666666 0.333332 0.524884 O\n0.333332 0.666666 0.475116 O\n0.231386 0.356620 0.177704 O\n0.643378 0.874764 0.177704 O\n0.125234 0.768613 0.177704 O\n",
"nsites": 14,
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"density": 3.832524660507033,
"density_atomic": 0.08127696572422516,
"volume": 172.2505247981619,
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"formula_full": "Ba1 Na2 Mg1 P2 O8",
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"spacegroup": 147
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{
"id": "jvasp-10478",
"created_at": "2022-09-04T14:37:13.444793Z",
"updated_at": "2022-09-04T14:37:13.444813Z",
"structure_string": "K1 Li6 Ta1 O6\n1.0\n5.222864 0.002401 -1.031268\n-1.255257 5.069778 -1.031268\n0.001878 0.002401 5.323703\nK Li Ta O\n1 6 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.344323 -0.000000 0.655676 Li\n-0.000000 0.655677 0.344323 Li\n0.344322 0.655677 -0.000000 Li\n0.000000 0.344323 0.655676 Li\n0.655677 -0.000000 0.344322 Li\n0.655676 0.344323 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.272672 0.914734 0.272672 O\n0.272673 0.272672 0.914733 O\n0.727327 0.085266 0.727327 O\n0.727327 0.727328 0.085266 O\n0.085266 0.727328 0.727327 O\n0.914733 0.272672 0.272672 O\n",
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{
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"created_at": "2022-09-04T14:37:13.368648Z",
"updated_at": "2022-09-04T14:37:13.368672Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n5.747255 0.000032 0.000014\n-0.000134 5.747197 -0.000435\n-2.873523 -2.873177 4.754316\nCa Cu O\n2 4 8\ndirect\n0.624998 0.874996 0.749990 Ca\n0.375001 0.125001 0.250002 Ca\n-0.000002 0.499998 0.499999 Cu\n0.000002 0.000002 0.500001 Cu\n-0.000001 0.499998 0.000002 Cu\n0.500003 0.500004 -0.000001 Cu\n0.031008 0.701972 0.849248 O\n0.352725 0.468998 0.650759 O\n0.798038 0.181772 0.650760 O\n0.681772 0.852728 0.150755 O\n0.201967 0.818226 0.349240 O\n0.647275 0.531008 0.349243 O\n0.318234 0.147277 0.849244 O\n0.968988 0.298019 0.150752 O\n",
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"volume": 157.03099006454084,
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{
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"created_at": "2022-09-04T14:37:13.331375Z",
"updated_at": "2022-09-04T14:37:13.331401Z",
"structure_string": "Mg2 Co4 S8\n1.0\n5.991974 -0.000061 3.459387\n1.997270 5.649263 3.459380\n-0.000021 -0.000023 6.918811\nMg Co S\n2 4 8\ndirect\n0.875008 0.875008 0.874996 Mg\n0.124991 0.124991 0.125005 Mg\n0.500000 0.500000 0.500000 Co\n0.500000 0.499999 0.000001 Co\n0.000000 0.499999 0.500000 Co\n0.500000 0.999999 0.500001 Co\n0.732397 0.732400 0.732402 S\n0.267603 0.267601 0.697197 S\n0.267607 0.697193 0.267601 S\n0.697199 0.267603 0.267599 S\n0.732392 0.302807 0.732400 S\n0.302800 0.732396 0.732402 S\n0.267603 0.267599 0.267599 S\n0.732397 0.732398 0.302804 S\n",
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{
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"created_at": "2022-09-04T14:37:13.243461Z",
"updated_at": "2022-09-04T14:37:13.243488Z",
"structure_string": "Ba4 Si2 Te8\n1.0\n0.000000 7.586619 0.006723\n7.629289 0.000000 0.000000\n0.000000 -3.077000 -9.130588\nBa Si Te\n4 2 8\ndirect\n0.724881 0.750000 0.926702 Ba\n0.275119 0.250000 0.073299 Ba\n0.777321 0.750000 0.447892 Ba\n0.222680 0.250000 0.552109 Ba\n0.210156 0.750000 0.293896 Si\n0.789844 0.250000 0.706105 Si\n0.990911 0.008430 0.231954 Te\n0.009089 0.508430 0.768047 Te\n0.622314 0.250000 0.431255 Te\n0.377686 0.750000 0.568745 Te\n0.595207 0.250000 0.877853 Te\n0.404793 0.750000 0.122148 Te\n0.990911 0.491570 0.231954 Te\n0.009089 0.991570 0.768047 Te\n",
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{
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"created_at": "2022-09-04T14:37:31.392689Z",
"updated_at": "2022-09-04T14:37:31.392716Z",
"structure_string": "Ca4 Si2 O8\n1.0\n2.797415 -4.845265 -0.000000\n2.797415 4.845265 0.000000\n-0.000000 -0.000000 6.787572\nCa Si O\n4 2 8\ndirect\n0.333334 0.666668 0.651184 Ca\n0.666668 0.333334 0.348815 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666668 0.195799 Si\n0.666668 0.333334 0.804201 Si\n0.333334 0.666668 0.959580 O\n0.666668 0.333334 0.040420 O\n0.177082 0.822919 0.292553 O\n0.177082 0.354164 0.292553 O\n0.645837 0.822919 0.292553 O\n0.822919 0.177082 0.707447 O\n0.822919 0.645837 0.707447 O\n0.354164 0.177082 0.707447 O\n",
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"formula_full": "Ca4 Si2 O8",
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{
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"created_at": "2022-09-04T14:37:13.204007Z",
"updated_at": "2022-09-04T14:37:13.204031Z",
"structure_string": "Sr1 Ta2 Bi2 O9\n1.0\n3.888016 0.000000 -0.600006\n-0.092594 3.886914 -0.600006\n-0.026612 -0.027253 12.724671\nSr Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Sr\n0.586065 0.586063 0.172127 Ta\n0.413938 0.413937 0.827873 Ta\n0.199970 0.199969 0.399937 Bi\n0.800033 0.800031 0.600063 Bi\n0.077260 0.577258 0.154518 O\n0.250001 0.750000 0.500000 O\n0.422743 0.922741 0.845481 O\n0.500001 0.500000 -0.000000 O\n0.922743 0.422742 0.845481 O\n0.337550 0.337549 0.675098 O\n0.577260 0.077259 0.154518 O\n0.750001 0.250000 0.500000 O\n0.662452 0.662450 0.324901 O\n",
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}
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}