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{
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"results": [
{
"id": "jvasp-106998",
"created_at": "2022-09-04T14:38:09.009015Z",
"updated_at": "2022-09-04T14:38:09.009037Z",
"structure_string": "Ho4 Mg2 Si4\n1.0\n7.113970 -0.000000 0.000000\n0.000000 7.113970 0.000000\n-0.000000 -0.000000 4.193124\nHo Mg Si\n4 2 4\ndirect\n0.678393 0.178393 0.500000 Ho\n0.321607 0.821607 0.500000 Ho\n0.178393 0.321607 0.500000 Ho\n0.821607 0.678393 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.119070 0.619070 -0.000000 Si\n0.880930 0.380930 -0.000000 Si\n0.619070 0.880930 -0.000000 Si\n0.380930 0.119070 -0.000000 Si\n",
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{
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"updated_at": "2022-09-04T14:38:09.008120Z",
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"nsites": 28,
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},
{
"id": "jvasp-13379",
"created_at": "2022-09-04T14:38:09.007541Z",
"updated_at": "2022-09-04T14:38:09.007576Z",
"structure_string": "Al4 Cd2 Cl16\n1.0\n0.000000 7.075443 0.035339\n6.435455 0.000000 0.000000\n0.000000 -0.594808 -12.841765\nAl Cd Cl\n4 2 16\ndirect\n0.438614 0.940249 0.455681 Al\n0.849948 0.432844 0.759425 Al\n0.849948 0.567157 0.259425 Al\n0.438614 0.059752 0.955681 Al\n0.999644 0.752336 0.501152 Cd\n0.999644 0.247665 0.001152 Cd\n0.592120 0.557416 0.171388 Cl\n0.592120 0.442585 0.671388 Cl\n0.946946 0.881681 0.298510 Cl\n0.946946 0.118320 0.798510 Cl\n0.216731 0.918300 0.046574 Cl\n0.216731 0.081701 0.546574 Cl\n0.836443 0.576113 0.914618 Cl\n0.697480 0.951104 0.557566 Cl\n0.697480 0.048896 0.057566 Cl\n0.083612 0.587897 0.685187 Cl\n0.343024 0.381606 0.939630 Cl\n0.343024 0.618395 0.439630 Cl\n0.464033 0.087328 0.311264 Cl\n0.464033 0.912673 0.811263 Cl\n0.836444 0.423888 0.414618 Cl\n0.083612 0.412104 0.185188 Cl\n",
"nsites": 22,
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],
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"formula_full": "Al4 Cd2 Cl16",
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"spacegroup": 7
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{
"id": "jvasp-30068",
"created_at": "2022-09-04T14:38:09.004398Z",
"updated_at": "2022-09-04T14:38:09.004425Z",
"structure_string": "Al2 Si2 H4 O9\n1.0\n2.489025 4.509024 -0.810689\n-2.533301 4.508586 0.530071\n-0.032830 -0.013310 7.383734\nAl Si H O\n2 2 4 9\ndirect\n0.797284 0.194587 0.480701 Al\n0.126177 0.536975 0.478276 Al\n0.333419 0.343090 0.089783 Si\n0.675997 0.657704 0.091624 Si\n0.209901 0.920011 0.326398 H\n0.237743 0.108123 0.739534 H\n0.553175 0.456531 0.737920 H\n0.862247 0.769559 0.734072 H\n0.129953 0.206142 0.608602 O\n0.022221 0.919943 0.326182 O\n0.964183 0.570558 0.995244 O\n0.404829 0.303200 0.316037 O\n0.503668 0.495577 0.994971 O\n0.785440 0.541916 0.317525 O\n0.513697 0.435796 0.608262 O\n0.431603 0.024700 0.018856 O\n0.897175 0.818879 0.613104 O\n",
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"formula_full": "Al2 Si2 H4 O9",
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{
"id": "jvasp-52267",
"created_at": "2022-09-04T14:38:09.004340Z",
"updated_at": "2022-09-04T14:38:09.004361Z",
"structure_string": "Li2 Cu2 F8\n1.0\n0.000000 5.557526 -0.021841\n4.719298 0.000000 0.000000\n0.000000 -2.818644 -5.058091\nLi Cu F\n2 2 8\ndirect\n0.500001 0.000000 0.500000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.152672 0.711497 0.799161 F\n0.152672 0.788503 0.299161 F\n0.322875 0.307678 0.640942 F\n0.677127 0.807678 0.859057 F\n0.322874 0.192322 0.140943 F\n0.677126 0.692322 0.359057 F\n0.847329 0.211497 0.700839 F\n0.847329 0.288503 0.200839 F\n",
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"volume": 132.9522248752974,
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"formula_full": "Li2 Cu2 F8",
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"spacegroup": 14
},
{
"id": "jvasp-57727",
"created_at": "2022-09-04T14:38:09.003043Z",
"updated_at": "2022-09-04T14:38:09.003067Z",
"structure_string": "Ba4 Ru4 O12\n1.0\n2.887620 -5.001505 0.000000\n2.887620 5.001505 0.000000\n0.000000 -0.000000 9.552769\nBa Ru O\n4 4 12\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.616541 Ru\n0.333333 0.666667 0.116541 Ru\n0.333333 0.666667 0.383459 Ru\n0.666667 0.333333 0.883459 Ru\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.355061 0.177530 0.750000 O\n0.822470 0.177530 0.750000 O\n0.177530 0.355061 0.250000 O\n0.822470 0.644939 0.750000 O\n0.500000 0.500000 0.500000 O\n0.644939 0.822470 0.250000 O\n0.177530 0.822470 0.250000 O\n0.500000 0.500000 0.000000 O\n",
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"volume": 275.9306983459275,
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"formula_full": "Ba4 Ru4 O12",
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"spacegroup": 194
},
{
"id": "jvasp-9766",
"created_at": "2022-09-04T14:38:08.998990Z",
"updated_at": "2022-09-04T14:38:08.999008Z",
"structure_string": "Na4 Ti2 Si2 O10\n1.0\n6.520555 -0.000000 0.000000\n0.000000 6.520555 0.000000\n0.000000 -0.000000 5.110434\nNa Ti Si O\n4 2 2 10\ndirect\n0.749999 0.749999 0.500000 Na\n0.250000 0.749999 0.500000 Na\n0.749999 0.250000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.500000 0.000000 0.065473 Ti\n0.000000 0.500000 0.934526 Ti\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.292445 0.500000 0.815690 O\n0.000000 0.792445 0.815690 O\n0.500000 0.707554 0.184309 O\n0.500000 0.292445 0.184309 O\n0.500000 0.000000 0.727393 O\n0.792445 0.000000 0.184309 O\n0.000000 0.500000 0.272606 O\n0.000000 0.207554 0.815690 O\n0.207554 0.000000 0.184309 O\n0.707554 0.500000 0.815690 O\n",
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{
"id": "jvasp-32013",
"created_at": "2022-09-04T14:38:08.998100Z",
"updated_at": "2022-09-04T14:38:08.998125Z",
"structure_string": "Ni1 H16 C4 S4 N8 Cl2\n1.0\n-4.801061 4.801061 4.363707\n4.801061 -4.801061 4.363707\n4.801061 4.801061 -4.363707\nNi H C S N Cl\n1 16 4 4 8 2\ndirect\n-0.000161 -0.000161 -0.000000 Ni\n0.936261 0.943789 0.330968 H\n0.612819 0.605292 0.669031 H\n0.943789 0.612819 0.007527 H\n0.605292 0.936261 0.992473 H\n0.036031 0.028619 0.585608 H\n0.443012 0.450423 0.414391 H\n0.028619 0.443012 0.992588 H\n0.450423 0.036031 0.007412 H\n0.404751 0.616766 0.222088 H\n0.182662 0.404750 0.787984 H\n0.616766 0.394678 0.212016 H\n0.551911 0.198147 0.663595 H\n0.534552 0.888316 0.336405 H\n0.198147 0.534552 0.646236 H\n0.888316 0.551911 0.353764 H\n0.394678 0.182662 0.777912 H\n0.247353 0.074273 0.478127 C\n0.596146 0.769225 0.521873 C\n0.769225 0.247354 0.173080 C\n0.074273 0.596145 0.826920 C\n0.008318 0.284350 0.228953 S\n0.055396 0.779364 0.771046 S\n0.779364 0.008318 0.723968 S\n0.284350 0.055396 0.276032 S\n0.757482 0.410494 0.251453 N\n0.159041 0.506028 0.748547 N\n0.506029 0.757482 0.346986 N\n0.410494 0.159041 0.653013 N\n0.594800 0.060223 0.051442 N\n0.008780 0.543358 0.948558 N\n0.543358 0.594800 0.534578 N\n0.060222 0.008780 0.465422 N\n0.722544 0.722544 0.000000 Cl\n0.288557 0.288557 0.000000 Cl\n",
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],
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"density_atomic": 0.08699174103918862,
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{
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"updated_at": "2022-09-04T14:38:08.996058Z",
"structure_string": "Na2 Ag2 F8\n1.0\n5.034058 -0.000000 -2.338677\n-1.086481 4.915414 -2.338677\n-0.010465 -0.013031 6.564777\nNa Ag F\n2 2 8\ndirect\n0.250001 0.250000 0.500000 Na\n0.750001 0.749999 0.500000 Na\n0.000000 0.500000 -0.000000 Ag\n0.500000 0.000000 -0.000000 Ag\n0.948657 0.448656 0.255889 F\n0.692768 0.192767 0.744111 F\n0.051344 0.551343 0.744110 F\n0.192767 0.051344 0.744111 F\n0.307234 0.807233 0.255889 F\n0.448657 0.307233 0.255890 F\n0.807234 0.948656 0.255889 F\n0.551345 0.692766 0.744110 F\n",
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{
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"updated_at": "2022-09-04T14:38:08.993712Z",
"structure_string": "Sc2 Ir4\n1.0\n4.534842 -0.000000 2.618192\n1.511614 4.275489 2.618192\n-0.000000 0.000000 5.236384\nSc Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.874999 0.875000 0.874999 Sc\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n",
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},
{
"id": "jvasp-18033",
"created_at": "2022-09-04T14:38:08.988252Z",
"updated_at": "2022-09-04T14:38:08.988263Z",
"structure_string": "Ti1 Zn3\n1.0\n3.921483 0.000000 -0.000000\n0.000000 3.921483 0.000000\n0.000000 0.000000 3.921483\nTi Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n",
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},
{
"id": "jvasp-23048",
"created_at": "2022-09-04T14:38:08.988040Z",
"updated_at": "2022-09-04T14:38:08.988063Z",
"structure_string": "Zr4 Co7 Ge6\n1.0\n6.438301 -0.000000 -2.276284\n-3.219150 5.575732 -2.276284\n0.000000 0.000000 6.828850\nZr Co Ge\n4 7 6\ndirect\n0.500000 0.000000 0.000000 Zr\n-0.000000 0.500000 0.000000 Zr\n-0.000000 -0.000000 0.500000 Zr\n0.500000 0.500000 0.500000 Zr\n0.500000 0.250000 0.750000 Co\n0.000000 0.000000 0.000000 Co\n0.750000 0.250000 0.500000 Co\n0.250000 0.500000 0.750000 Co\n0.750000 0.500000 0.250001 Co\n0.500000 0.750000 0.250001 Co\n0.250000 0.750000 0.500000 Co\n0.318513 0.318513 0.000000 Ge\n0.681487 0.681487 0.000001 Ge\n0.681487 -0.000000 0.681487 Ge\n-0.000000 0.318513 0.318513 Ge\n0.318513 -0.000000 0.318513 Ge\n-0.000000 0.681487 0.681487 Ge\n",
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}
]
}