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{
"id": "jvasp-103801",
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"structure_string": "H4 C8 S2 O4\n1.0\n4.640253 -0.010365 -0.137817\n-0.744197 6.650092 -0.563860\n-0.077517 0.053642 7.023423\nH C S O\n4 8 2 4\ndirect\n0.590916 0.682598 0.028836 H\n0.723466 0.942690 0.075526 H\n0.590903 0.182623 0.528832 H\n0.723450 0.442713 0.575539 H\n0.814211 0.762800 0.302466 C\n0.814194 0.262811 0.802467 C\n0.328361 0.359658 0.711067 C\n0.616016 0.310158 0.638496 C\n0.328379 0.859645 0.211063 C\n0.616033 0.810141 0.138493 C\n0.100635 0.693599 0.247810 C\n0.100618 0.193610 0.747809 C\n0.156198 0.460779 0.259319 S\n0.156184 0.960791 0.759316 S\n0.283484 0.033039 0.260988 O\n0.748983 0.276427 0.970048 O\n0.748998 0.776421 0.470046 O\n0.283466 0.533050 0.761000 O\n",
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{
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"updated_at": "2022-09-04T14:37:31.236393Z",
"structure_string": "Ca3 Zn1 Ge5 O14\n1.0\n-0.036230 -0.000000 -5.127211\n0.000000 -8.063721 -0.000000\n-6.985374 4.031860 0.050783\nCa Zn Ge O\n3 1 5 14\ndirect\n-0.000000 0.729640 0.000000 Ca\n-0.000033 0.898466 0.584464 Ca\n0.000034 0.314002 0.415535 Ca\n-0.000000 0.314091 0.000000 Zn\n0.499829 0.552309 0.238426 Ge\n0.500171 0.313882 0.761573 Ge\n0.477237 0.647325 0.666704 Ge\n0.522763 0.980621 0.333295 Ge\n0.500000 0.075746 0.000000 Ge\n0.741800 0.464610 0.918585 O\n0.258201 0.546024 0.081415 O\n0.184961 0.980755 0.333411 O\n0.815039 0.647344 0.666589 O\n0.258196 0.232685 0.150565 O\n0.741804 0.082121 0.849435 O\n0.688154 0.777218 0.321554 O\n0.311835 0.850726 0.858242 O\n0.311846 0.455663 0.678445 O\n0.311668 0.635448 0.463307 O\n0.258407 0.163397 0.768209 O\n0.741594 0.395188 0.231791 O\n0.688165 0.992482 0.141757 O\n0.688333 0.172141 0.536693 O\n",
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{
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"created_at": "2022-09-04T14:37:14.871529Z",
"updated_at": "2022-09-04T14:37:14.871549Z",
"structure_string": "K4 Na8 Be4 O10\n1.0\n5.959840 0.000000 0.000000\n0.000000 5.959840 0.000000\n0.000000 0.000000 10.020967\nK Na Be O\n4 8 4 10\ndirect\n0.319396 0.319396 0.000000 K\n0.180604 0.819396 0.500000 K\n0.819396 0.180604 0.500000 K\n0.680604 0.680604 0.000000 K\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Na\n0.000000 0.000000 0.226009 Na\n0.500000 0.500000 0.726009 Na\n0.500000 0.500000 0.273991 Na\n0.000000 0.000000 0.773991 Na\n0.187756 0.812244 0.000000 Be\n0.812244 0.187756 0.000000 Be\n0.687756 0.687756 0.500000 Be\n0.312244 0.312244 0.500000 Be\n0.724989 0.275011 0.861714 O\n0.224989 0.224989 0.361714 O\n0.275011 0.724989 0.861714 O\n0.775011 0.775011 0.638286 O\n0.724989 0.275011 0.138286 O\n0.275011 0.724989 0.138286 O\n0.224989 0.224989 0.638286 O\n0.775011 0.775011 0.361714 O\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-35892",
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"updated_at": "2022-09-04T14:37:30.214305Z",
"structure_string": "Hf1 Ta1 N1 O3\n1.0\n3.525085 0.000000 0.000000\n0.000000 3.573251 0.000000\n0.000000 0.000000 5.257521\nHf Ta N O\n1 1 1 3\ndirect\n0.000000 0.000000 0.239738 Hf\n0.499999 0.500000 0.760309 Ta\n0.499999 0.000000 0.931369 N\n0.000000 0.500000 0.571138 O\n0.499999 0.000000 0.440579 O\n0.000000 0.500000 0.056867 O\n",
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{
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"created_at": "2022-09-04T14:37:14.560102Z",
"updated_at": "2022-09-04T14:37:14.560129Z",
"structure_string": "Ba2 Pr1 Sb1 O6\n1.0\n5.320699 0.000000 3.071907\n1.773566 5.016403 3.071907\n0.000000 0.000000 6.143814\nBa Pr Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.750000 Ba\n0.500001 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Sb\n0.231498 0.768502 0.768503 O\n0.231498 0.768502 0.231497 O\n0.768503 0.231497 0.768503 O\n0.231497 0.231497 0.768503 O\n0.768503 0.231497 0.231497 O\n0.768504 0.768502 0.231498 O\n",
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{
"id": "jvasp-57484",
"created_at": "2022-09-04T14:37:14.558284Z",
"updated_at": "2022-09-04T14:37:14.558305Z",
"structure_string": "Sr2 Ti2 Si4 O14\n1.0\n5.059328 0.000000 -1.869518\n0.000000 7.135591 -0.000000\n-0.015274 0.000000 7.739254\nSr Ti Si O\n2 2 4 14\ndirect\n0.801357 0.250000 0.602712 Sr\n0.198645 0.750000 0.397287 Sr\n0.890696 0.750000 0.781389 Ti\n0.109305 0.250000 0.218610 Ti\n0.609805 0.524850 0.219610 Si\n0.609805 0.975150 0.219610 Si\n0.390196 0.024850 0.780390 Si\n0.390196 0.475150 0.780390 Si\n0.992672 0.250000 0.985341 O\n0.595823 0.562710 0.690362 O\n0.905460 0.437290 0.309637 O\n0.500000 0.500000 -0.000000 O\n0.595823 0.937289 0.690362 O\n0.905460 0.062710 0.309637 O\n0.094541 0.937289 0.690362 O\n0.404178 0.062710 0.309638 O\n0.094541 0.562710 0.690362 O\n0.404178 0.437290 0.309638 O\n0.007329 0.750000 0.014658 O\n0.359346 0.250000 0.718690 O\n0.640655 0.750000 0.281310 O\n0.500000 0.000000 -0.000000 O\n",
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{
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"created_at": "2022-09-04T14:37:31.508592Z",
"updated_at": "2022-09-04T14:37:31.508614Z",
"structure_string": "Li5 Mn1 Ni4 O10\n1.0\n-2.888113 -0.005585 0.015701\n1.425752 6.294798 0.036708\n-0.206924 -1.955025 -9.410960\nLi Mn Ni O\n5 1 4 10\ndirect\n0.399267 0.809011 0.202032 Li\n0.199949 0.399997 0.599995 Li\n0.000782 0.990992 0.997967 Li\n0.795841 0.605115 0.404232 Li\n0.604088 0.194886 0.795768 Li\n0.700023 0.400001 0.100001 Mn\n0.488982 0.998875 0.499798 Ni\n0.911007 0.801121 0.700202 Ni\n0.091387 0.200681 0.301236 Ni\n0.308624 0.599318 0.898765 Ni\n0.921451 0.909083 0.361127 O\n0.239337 0.494141 0.234366 O\n0.053641 0.080930 0.642796 O\n0.346315 0.719063 0.557201 O\n0.478560 0.890919 0.838876 O\n0.160710 0.305861 0.965637 O\n0.559921 0.121865 0.151913 O\n0.619696 0.277913 0.444402 O\n0.840118 0.678136 0.048088 O\n0.780295 0.522086 0.755602 O\n",
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{
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"created_at": "2022-09-04T14:37:09.176859Z",
"updated_at": "2022-09-04T14:37:09.176879Z",
"structure_string": "K6 V2 S2 O6\n1.0\n0.000000 6.507659 0.004940\n5.892230 0.000000 0.000000\n0.000000 -1.887790 -8.563010\nK V S O\n6 2 2 6\ndirect\n0.681241 0.750000 0.532077 K\n0.255018 0.250000 0.994390 K\n0.318759 0.250000 0.467923 K\n0.744982 0.750000 0.005610 K\n0.790837 0.250000 0.278631 K\n0.209163 0.750000 0.721369 K\n0.301730 0.750000 0.207320 V\n0.698270 0.250000 0.792680 V\n0.056372 0.750000 0.350771 S\n0.943628 0.250000 0.649229 S\n0.816236 0.250000 0.987213 O\n0.183764 0.750000 0.012787 O\n0.456702 0.985805 0.254324 O\n0.543298 0.014195 0.745676 O\n0.456702 0.514195 0.254324 O\n0.543298 0.485805 0.745676 O\n",
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{
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"created_at": "2022-09-04T14:37:09.718025Z",
"updated_at": "2022-09-04T14:37:09.718034Z",
"structure_string": "K2 Li2 Mn2 O4\n1.0\n3.423800 0.000157 -0.000426\n1.711008 5.474179 0.006095\n1.710595 1.262888 7.228084\nK Li Mn O\n2 2 2 4\ndirect\n0.160557 0.312511 0.367108 K\n0.839444 0.687490 0.632892 K\n0.339241 0.375541 0.945860 Li\n0.660761 0.624460 0.054140 Li\n0.951810 0.906247 0.190586 Mn\n0.048192 0.093754 0.809414 Mn\n0.528673 0.247390 0.694854 O\n0.159131 0.736642 0.945120 O\n0.840871 0.263359 0.054880 O\n0.471328 0.752611 0.305145 O\n",
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"spacegroup": 12
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{
"id": "jvasp-35165",
"created_at": "2022-09-04T14:37:31.240607Z",
"updated_at": "2022-09-04T14:37:31.240647Z",
"structure_string": "Li4 P2 N2 O4\n1.0\n0.000000 0.000000 -4.724073\n-4.515835 -2.695217 0.000000\n-4.515835 2.695217 0.000000\nLi P N O\n4 2 2 4\ndirect\n0.497804 0.007965 0.325193 Li\n0.497804 0.674808 0.992036 Li\n0.997804 0.992036 0.674808 Li\n0.997804 0.325193 0.007965 Li\n0.500243 0.344375 0.655626 P\n0.000243 0.655626 0.344375 P\n0.656098 0.615624 0.384377 N\n0.156098 0.384377 0.615624 N\n0.583525 0.332464 0.948406 O\n0.583525 0.051595 0.667537 O\n0.083525 0.667537 0.051595 O\n0.083525 0.948406 0.332464 O\n",
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"formula_full": "Li4 P2 N2 O4",
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{
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"created_at": "2022-09-04T14:37:14.383300Z",
"updated_at": "2022-09-04T14:37:14.383326Z",
"structure_string": "K2 Rb1 Ta1 Br6\n1.0\n7.043932 -0.000000 4.066816\n2.347977 6.641083 4.066816\n-0.000000 -0.000000 8.133632\nK Rb Ta Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.772598 0.227402 0.227403 Br\n0.227402 0.227402 0.772598 Br\n0.227402 0.772598 0.772598 Br\n0.227402 0.772598 0.227402 Br\n0.772598 0.227402 0.772598 Br\n0.772598 0.772598 0.227403 Br\n",
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]
}