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{
"id": "jvasp-111840",
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"updated_at": "2022-09-04T14:38:53.157220Z",
"structure_string": "Li1 V4 O10\n1.0\n6.660935 0.020997 -0.372197\n1.461204 6.462148 -0.121451\n0.260194 -0.056439 4.503215\nLi V O\n1 4 10\ndirect\n0.500000 0.500000 -0.000000 Li\n0.206472 0.712509 0.589199 V\n0.793528 0.287491 0.410801 V\n0.675789 0.813813 0.407749 V\n0.324210 0.186187 0.592251 V\n0.949263 0.797592 0.493831 O\n0.050736 0.202409 0.506169 O\n0.377618 0.886635 0.501038 O\n0.622382 0.113365 0.498963 O\n0.227160 0.695884 0.952059 O\n0.772840 0.304116 0.047941 O\n0.666886 0.786938 0.050103 O\n0.333113 0.213063 0.949897 O\n0.312441 0.457637 0.464137 O\n0.687558 0.542364 0.535864 O\n",
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{
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"structure_string": "Li3 Fe3 F9\n1.0\n5.097698 0.010355 0.006427\n2.532748 4.416828 0.003191\n-0.006198 -0.011574 7.570546\nLi Fe F\n3 3 9\ndirect\n0.999833 0.001167 0.655934 Li\n0.000619 0.999910 0.343960 Li\n0.668719 0.665120 0.261527 Li\n0.334239 0.332602 0.347706 Fe\n0.003603 -0.004158 0.994848 Fe\n0.667631 0.666913 0.677915 Fe\n0.978283 0.688108 0.490377 F\n0.307066 0.686392 0.191040 F\n0.008855 0.303830 0.190394 F\n0.333790 0.978582 0.490833 F\n0.312345 0.712173 0.812137 F\n0.688731 0.006563 0.190950 F\n0.713882 0.974260 0.814344 F\n0.689082 0.333421 0.490509 F\n0.972909 0.312131 0.814450 F\n",
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{
"id": "jvasp-121971",
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"structure_string": "Cu2 Ag1 Se2 O10\n1.0\n5.039285 0.078822 2.332764\n1.378266 4.847781 2.332764\n0.052741 0.040488 7.888775\nCu Ag Se O\n2 1 2 10\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 -0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.080740 0.080740 0.694551 Se\n0.919260 0.919259 0.305449 Se\n0.170776 0.170776 0.830911 O\n0.829224 0.829224 0.169089 O\n0.214976 0.214976 0.457757 O\n0.785024 0.785024 0.542243 O\n0.719945 0.189973 0.749223 O\n0.189973 0.719945 0.749223 O\n0.280055 0.810027 0.250777 O\n0.810027 0.280054 0.250777 O\n0.674251 0.674251 0.947211 O\n0.325748 0.325748 0.052789 O\n",
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{
"id": "jvasp-119707",
"created_at": "2022-09-04T14:38:52.495912Z",
"updated_at": "2022-09-04T14:38:52.495935Z",
"structure_string": "La1 Mo6 Se8\n1.0\n6.840362 0.003199 0.165950\n0.162051 6.838443 0.165950\n0.003274 0.003199 6.842373\nLa Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 La\n0.761030 0.438433 0.576616 Mo\n0.438432 0.576616 0.761030 Mo\n0.576616 0.761030 0.438433 Mo\n0.423383 0.238970 0.561567 Mo\n0.561567 0.423384 0.238969 Mo\n0.238969 0.561567 0.423384 Mo\n0.622161 0.246265 0.880694 Se\n0.880694 0.622163 0.246264 Se\n0.757605 0.757606 0.757606 Se\n0.246264 0.880695 0.622163 Se\n0.753735 0.119305 0.377837 Se\n0.242394 0.242394 0.242394 Se\n0.119305 0.377837 0.753735 Se\n0.377838 0.753735 0.119305 Se\n",
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{
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"created_at": "2022-09-04T14:38:53.141967Z",
"updated_at": "2022-09-04T14:38:53.141997Z",
"structure_string": "Nb4 H3 S8\n1.0\n3.355898 -0.000000 0.000000\n-1.677949 2.906293 0.000000\n-0.000000 -0.000000 25.287344\nNb H S\n4 3 8\ndirect\n0.666667 0.333333 -0.000000 Nb\n0.666667 0.333333 0.500000 Nb\n0.333333 0.666666 0.248404 Nb\n0.333333 0.666666 0.751596 Nb\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.248326 H\n0.000000 0.000000 0.751674 H\n0.666667 0.333333 0.313889 S\n0.666667 0.333333 0.817091 S\n0.333333 0.666666 0.937655 S\n0.333333 0.666666 0.434513 S\n0.333333 0.666666 0.062345 S\n0.333333 0.666666 0.565487 S\n0.666667 0.333333 0.182909 S\n0.666667 0.333333 0.686111 S\n",
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{
"id": "jvasp-54225",
"created_at": "2022-09-04T14:37:05.145212Z",
"updated_at": "2022-09-04T14:37:05.145239Z",
"structure_string": "Si5 O10\n1.0\n6.979828 0.000000 0.000000\n0.000000 6.979828 -0.000000\n0.000000 0.000000 6.476733\nSi O\n5 10\ndirect\n0.269800 0.000000 0.119332 Si\n0.000000 0.269800 0.880668 Si\n0.000000 0.730200 0.880668 Si\n0.730200 0.000000 0.119332 Si\n0.000000 0.000000 0.500000 Si\n0.191717 0.000000 0.356443 O\n0.000000 0.191717 0.643557 O\n0.000000 0.808283 0.643557 O\n0.808283 0.000000 0.356443 O\n0.191027 0.808973 0.000000 O\n0.191027 0.191027 0.000000 O\n0.808973 0.808973 0.000000 O\n0.808973 0.191027 0.000000 O\n0.500000 0.000000 0.120253 O\n0.000000 0.500000 0.879747 O\n",
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"volume": 315.53347123166674,
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"formula_full": "Si5 O10",
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{
"id": "jvasp-13894",
"created_at": "2022-09-04T14:36:48.951084Z",
"updated_at": "2022-09-04T14:36:48.951094Z",
"structure_string": "Fe1 Pb2 C6 N6\n1.0\n3.575109 -6.192269 -0.000000\n3.575109 6.192269 -0.000000\n-0.000000 -0.000000 5.439399\nFe Pb C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.597471 Pb\n0.333333 0.666667 0.402530 Pb\n0.240372 0.055797 0.192355 C\n0.815424 0.759628 0.192355 C\n0.944204 0.184576 0.192355 C\n0.055797 0.815424 0.807645 C\n0.759628 0.944204 0.807645 C\n0.184576 0.240372 0.807645 C\n0.689780 0.605468 0.302872 N\n0.394532 0.084312 0.302872 N\n0.915689 0.310220 0.302872 N\n0.310220 0.394532 0.697128 N\n0.084312 0.689780 0.697128 N\n0.605468 0.915689 0.697128 N\n",
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{
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"created_at": "2022-09-04T14:36:59.804217Z",
"updated_at": "2022-09-04T14:36:59.804245Z",
"structure_string": "Na2 H6 Pt1 O6\n1.0\n2.919108 -5.056043 -0.000000\n2.919108 5.056043 0.000000\n0.000000 -0.000000 4.545928\nNa H Pt O\n2 6 1 6\ndirect\n0.666667 0.333334 0.054149 Na\n0.333333 0.666667 0.945851 Na\n0.667315 0.813644 0.411761 H\n0.186357 0.853672 0.411761 H\n0.146329 0.332685 0.411761 H\n0.332685 0.186357 0.588239 H\n0.813644 0.146329 0.588239 H\n0.853672 0.667315 0.588239 H\n0.000000 0.000000 0.000000 Pt\n0.698770 0.718523 0.250111 O\n0.281478 0.980246 0.250111 O\n0.019754 0.301231 0.250111 O\n0.301231 0.281477 0.749890 O\n0.718523 0.019754 0.749890 O\n0.980247 0.698770 0.749890 O\n",
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{
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"created_at": "2022-09-04T14:37:05.602923Z",
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"structure_string": "Zr6 N6 O3\n1.0\n0.000000 3.308537 0.000000\n-6.866436 1.654269 -0.015728\n-1.503602 0.000000 8.132835\nZr N O\n6 6 3\ndirect\n0.031507 0.936987 0.807742 Zr\n0.629803 0.740396 0.474651 Zr\n0.694619 0.610763 0.131609 Zr\n0.305382 0.389237 0.868391 Zr\n0.370198 0.259604 0.525350 Zr\n0.968494 0.063014 0.192259 Zr\n0.535121 0.929761 0.656450 N\n0.172364 0.655273 0.965859 N\n0.126074 0.747852 0.287050 N\n0.873927 0.252149 0.712951 N\n0.827637 0.344727 0.034141 N\n0.464880 0.070239 0.343550 N\n0.210166 0.579668 0.619384 O\n0.789835 0.420333 0.380616 O\n0.500000 0.000000 0.000000 O\n",
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"updated_at": "2022-09-04T14:37:05.369081Z",
"structure_string": "Mn1 Sb2 F12\n1.0\n5.067867 0.006711 0.044561\n2.483878 4.714904 1.498224\n-0.050496 0.017323 8.711486\nMn Sb F\n1 2 12\ndirect\n0.500000 0.499999 0.500000 Mn\n0.760231 0.014068 0.230201 Sb\n0.239770 0.985930 0.769800 Sb\n0.950565 0.244024 0.211711 F\n0.049436 0.755975 0.788289 F\n0.035112 0.759853 0.129843 F\n0.497154 0.769739 0.632461 F\n0.502847 0.230259 0.367539 F\n0.965466 0.237451 0.565219 F\n0.034535 0.762547 0.434781 F\n0.430442 0.231718 0.701287 F\n0.569559 0.768280 0.298713 F\n0.533566 0.758848 0.950798 F\n0.466435 0.241150 0.049202 F\n0.964888 0.240145 0.870157 F\n",
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"structure_string": "Ca3 C3 O9\n1.0\n5.014901 0.000000 0.000000\n-2.507450 4.339851 -0.172847\n0.000000 0.340961 8.566428\nCa C O\n3 3 9\ndirect\n0.682140 0.333337 0.334766 Ca\n0.015459 0.000000 0.000000 Ca\n0.348802 0.666662 0.665234 Ca\n0.348822 0.666694 0.170573 C\n0.682127 0.333305 0.829427 C\n0.015454 -0.000000 0.500000 C\n0.938488 0.329075 0.829516 O\n0.686343 0.593877 0.829554 O\n0.421544 0.076953 0.829536 O\n0.344591 0.923046 0.170464 O\n0.273853 0.258397 0.499991 O\n0.015455 0.741602 0.500008 O\n0.092466 0.406123 0.170446 O\n0.609413 0.670924 0.170484 O\n0.757041 -0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:04.847685Z",
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"structure_string": "Mn2 Ru1 C6 N6\n1.0\n2.999684 -5.195604 0.000000\n2.999683 5.195604 -0.000000\n0.000000 -0.000000 6.795122\nMn Ru C N\n2 1 6 6\ndirect\n0.333333 0.666666 0.500001 Mn\n0.666666 0.333333 0.499998 Mn\n0.000000 0.000000 0.000000 Ru\n0.259548 0.000001 0.813862 C\n0.740451 -0.000001 0.186138 C\n-0.000001 0.259547 0.813862 C\n0.740452 0.740451 0.813862 C\n0.259547 0.259548 0.186138 C\n0.000001 0.740452 0.186138 C\n0.390217 0.390227 0.316593 N\n0.000010 0.609782 0.316593 N\n-0.000010 0.390217 0.683407 N\n0.609772 -0.000010 0.316593 N\n0.390227 0.000010 0.683407 N\n0.609782 0.609772 0.683407 N\n",
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]
}