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{
"id": "jvasp-106319",
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"structure_string": "Y2 Ga2 Au2\n1.0\n4.499591 0.013104 3.499647\n2.264794 3.888085 3.499647\n-0.010381 -0.005987 7.132494\nY Ga Au\n2 2 2\ndirect\n0.462841 0.462840 0.297338 Y\n0.537159 0.537157 0.702663 Y\n0.157014 0.157013 0.895764 Ga\n0.842986 0.842984 0.104238 Ga\n0.822915 0.822912 0.713645 Au\n0.177086 0.177085 0.286357 Au\n",
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{
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"structure_string": "Rb1 Cr5 S8\n1.0\n3.433670 -0.000000 -0.671529\n-0.428924 8.381000 -2.193183\n0.004231 0.014617 9.135942\nRb Cr S\n1 5 8\ndirect\n0.499984 0.500021 0.999966 Rb\n0.296177 0.664469 0.592354 Cr\n0.703815 0.335525 0.407628 Cr\n0.341390 0.026155 0.682779 Cr\n0.658617 0.973845 0.317233 Cr\n0.000003 0.000000 0.000005 Cr\n0.238026 0.156999 0.476050 S\n0.761982 0.843015 0.523964 S\n0.171145 0.488956 0.342288 S\n0.828844 0.511041 0.657688 S\n0.086477 0.828512 0.172952 S\n0.913543 0.171485 0.827086 S\n0.423820 0.849409 0.847639 S\n0.576184 0.150570 0.152367 S\n",
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{
"id": "jvasp-112371",
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"updated_at": "2022-09-04T14:38:40.055495Z",
"structure_string": "Er2 Fe17 C2\n1.0\n6.318620 -0.010869 0.729425\n0.704459 6.279237 0.729425\n0.008085 0.007216 6.417162\nEr Fe C\n2 17 2\ndirect\n0.347412 0.347413 0.333868 Er\n0.652587 0.652588 0.666133 Er\n0.500000 -0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.848863 0.345908 0.341579 Fe\n0.345907 0.848864 0.341579 Fe\n0.346644 0.346646 0.854297 Fe\n0.151136 0.654093 0.658422 Fe\n0.654092 0.151138 0.658422 Fe\n0.653355 0.653355 0.145704 Fe\n0.283790 0.716211 0.000001 Fe\n0.001953 0.283620 0.716407 Fe\n0.716380 -0.001953 0.283593 Fe\n-0.001954 0.716381 0.283593 Fe\n0.283619 0.001954 0.716407 Fe\n0.716210 0.283790 0.000001 Fe\n0.902831 0.902833 0.903916 Fe\n0.097168 0.097168 0.096085 Fe\n0.500000 0.000000 0.500000 C\n-0.000000 0.500001 0.500000 C\n",
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{
"id": "jvasp-106375",
"created_at": "2022-09-04T14:38:40.223907Z",
"updated_at": "2022-09-04T14:38:40.223940Z",
"structure_string": "Ca2 Ga2 Cu2\n1.0\n4.336700 0.008025 3.404636\n2.057073 3.817784 3.404636\n0.031441 0.018813 7.202522\nCa Ga Cu\n2 2 2\ndirect\n0.552723 0.552720 0.693335 Ca\n0.447278 0.447276 0.306667 Ca\n0.830493 0.830491 0.106847 Ga\n0.169507 0.169506 0.893155 Ga\n0.164349 0.164348 0.272130 Cu\n0.835652 0.835649 0.727872 Cu\n",
"nsites": 6,
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"formula_full": "Ca2 Ga2 Cu2",
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{
"id": "jvasp-115928",
"created_at": "2022-09-04T14:38:40.260279Z",
"updated_at": "2022-09-04T14:38:40.260310Z",
"structure_string": "Li1 Co1 F4\n1.0\n3.264061 -3.103698 0.167897\n3.264061 3.103698 0.167897\n-0.306929 0.000000 3.044636\nLi Co F\n1 1 4\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Co\n0.290841 0.709160 0.000001 F\n0.809239 0.809239 0.523434 F\n0.190762 0.190762 0.476568 F\n0.709160 0.290841 0.000001 F\n",
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{
"id": "jvasp-111518",
"created_at": "2022-09-04T14:38:40.377174Z",
"updated_at": "2022-09-04T14:38:40.377190Z",
"structure_string": "Fe2 Ni2 P12\n1.0\n5.525163 0.000906 3.895245\n-0.002856 5.525162 3.895245\n0.000575 0.000575 7.804018\nFe Ni P\n2 2 12\ndirect\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.499999 0.000001 0.500000 Ni\n-0.000001 0.500000 0.500000 Ni\n0.656591 0.656593 0.197056 P\n0.343407 0.343409 0.802943 P\n0.646872 0.646874 0.497108 P\n0.353126 0.353127 0.502892 P\n0.860727 0.150970 0.342763 P\n0.139270 0.849031 0.657237 P\n0.150968 0.860729 0.342763 P\n0.849030 0.139273 0.657236 P\n0.493437 0.796371 0.860493 P\n0.506560 0.203630 0.139506 P\n0.203629 0.506561 0.139507 P\n0.796369 0.493440 0.860493 P\n",
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"formula_full": "Fe2 Ni2 P12",
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{
"id": "jvasp-112480",
"created_at": "2022-09-04T14:38:40.454861Z",
"updated_at": "2022-09-04T14:38:40.454875Z",
"structure_string": "Na1 Co2 Mo2 O10\n1.0\n5.087119 -0.052150 2.161558\n1.919100 4.711534 2.161558\n-0.066720 -0.044371 7.840033\nNa Co Mo O\n1 2 2 10\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.570245 0.570244 0.237440 Mo\n0.429756 0.429756 0.762560 Mo\n0.179297 0.179297 0.419604 O\n0.820703 0.820702 0.580397 O\n0.199763 0.697577 0.259474 O\n0.697578 0.199763 0.259474 O\n0.800238 0.302423 0.740526 O\n0.302423 0.800237 0.740526 O\n0.723664 0.723663 0.012216 O\n0.276336 0.276336 0.987784 O\n0.660679 0.660678 0.408289 O\n0.339321 0.339321 0.591711 O\n",
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"formula_full": "Na1 Co2 Mo2 O10",
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{
"id": "jvasp-112446",
"created_at": "2022-09-04T14:38:40.650622Z",
"updated_at": "2022-09-04T14:38:40.650637Z",
"structure_string": "Li3 Fe4 Cu1 O8\n1.0\n5.037020 0.010726 2.849784\n1.711018 4.737521 2.849784\n-0.041277 -0.029045 5.801992\nLi Fe Cu O\n3 4 1 8\ndirect\n0.000000 0.500000 -0.000000 Li\n-0.000000 0.000000 0.500000 Li\n0.500000 0.000000 -0.000001 Li\n0.500000 0.500001 0.499999 Fe\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.500000 0.499999 Fe\n0.499999 0.000001 0.499999 Fe\n0.500000 0.500000 -0.000001 Cu\n0.248810 0.248811 0.279204 O\n0.259541 0.767599 0.732982 O\n0.767597 0.259543 0.732982 O\n0.749669 0.749669 0.265717 O\n0.250331 0.250332 0.734280 O\n0.232402 0.740459 0.267016 O\n0.740458 0.232403 0.267016 O\n0.751189 0.751191 0.720794 O\n",
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{
"id": "jvasp-112482",
"created_at": "2022-09-04T14:38:40.535669Z",
"updated_at": "2022-09-04T14:38:40.535696Z",
"structure_string": "Cr5 Se8\n1.0\n5.618652 -0.018683 3.859693\n0.957939 5.536420 3.859693\n0.004957 0.004159 8.432190\nCr Se\n5 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.270207 0.270207 0.987153 Cr\n0.729794 0.729794 0.012846 Cr\n0.271575 0.728426 0.499999 Cr\n0.728426 0.271575 0.499999 Cr\n0.974992 0.974993 0.325294 Se\n0.025008 0.025008 0.674705 Se\n0.450797 0.450797 0.333914 Se\n0.549204 0.549204 0.666085 Se\n0.033168 0.544467 0.170995 Se\n0.544467 0.033168 0.170995 Se\n0.966832 0.455534 0.829004 Se\n0.455533 0.966833 0.829004 Se\n",
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{
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"created_at": "2022-09-04T14:38:40.496628Z",
"updated_at": "2022-09-04T14:38:40.496654Z",
"structure_string": "Na1 Cu2 S2 O10\n1.0\n4.745296 -0.030012 2.157465\n1.040470 4.629920 2.157465\n-0.117672 -0.093554 7.826777\nNa Cu S O\n1 2 2 10\ndirect\n0.500000 0.500001 0.499999 Na\n-0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.078573 0.078573 0.700584 S\n0.921428 0.921428 0.299415 S\n0.169917 0.169917 0.818445 O\n0.830084 0.830084 0.181554 O\n0.201880 0.201880 0.491953 O\n0.798121 0.798121 0.508045 O\n0.752112 0.169836 0.748475 O\n0.169835 0.752112 0.748475 O\n0.247889 0.830165 0.251523 O\n0.830166 0.247890 0.251523 O\n0.656223 0.656223 0.953686 O\n0.343778 0.343778 0.046313 O\n",
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{
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"structure_string": "Li4 Mn3 Cr1 O8\n1.0\n5.280825 0.064115 2.849593\n2.195348 4.803298 2.849593\n0.027637 0.017993 5.767849\nLi Mn Cr O\n4 3 1 8\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.000000 0.500000 -0.000000 Mn\n0.500000 0.499999 0.500000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 -0.000000 0.500000 Cr\n0.758866 0.758865 0.217336 O\n0.751089 0.263342 0.726787 O\n0.230958 0.230958 0.252043 O\n0.241135 0.241134 0.782663 O\n0.263343 0.751088 0.726787 O\n0.248912 0.736657 0.273212 O\n0.769042 0.769041 0.747956 O\n0.736657 0.248911 0.273213 O\n",
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{
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"created_at": "2022-09-04T14:38:40.777512Z",
"updated_at": "2022-09-04T14:38:40.777537Z",
"structure_string": "Li1 Co1 F4\n1.0\n3.057100 -0.096223 -0.090677\n0.301824 4.497217 0.018371\n0.298884 0.194337 4.493182\nLi Co F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.499998 0.500001 0.499999 Co\n0.976503 0.309084 0.309391 F\n0.500032 0.790635 0.208999 F\n0.499964 0.209368 0.791000 F\n0.023493 0.690918 0.690608 F\n",
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"formula_full": "Li1 Co1 F4",
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}
]
}