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{
"id": "jvasp-42814",
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"structure_string": "Na3 Mn5 O12\n1.0\n0.000000 4.947551 -0.005481\n8.533273 0.000000 0.000000\n0.000000 -1.783857 -5.501386\nNa Mn O\n3 5 12\ndirect\n-0.000000 0.699995 0.500000 Na\n-0.000000 0.300005 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.823759 0.000000 Mn\n0.000000 0.176241 0.000000 Mn\n0.500000 0.660251 -0.000000 Mn\n0.500000 0.339748 -0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.297269 0.500000 0.800388 O\n0.248727 0.316450 0.190338 O\n0.771673 0.000000 0.829581 O\n0.248727 0.683550 0.190338 O\n0.751272 0.316450 0.809663 O\n0.702730 0.500000 0.199613 O\n0.731602 0.167273 0.179417 O\n0.751272 0.683550 0.809663 O\n0.228326 0.000000 0.170420 O\n0.731602 0.832727 0.179417 O\n0.268398 0.832727 0.820584 O\n0.268398 0.167273 0.820584 O\n",
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{
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"structure_string": "Pb6 S2 O12\n1.0\n5.967979 0.000000 0.000000\n0.000000 7.723641 -1.296743\n-0.000000 0.340579 7.824333\nPb S O\n6 2 12\ndirect\n0.750000 0.106224 0.893776 Pb\n0.750000 0.155335 0.361442 Pb\n0.750000 0.638558 0.844665 Pb\n0.250000 0.893776 0.106224 Pb\n0.250000 0.361442 0.155335 Pb\n0.250000 0.844665 0.638558 Pb\n0.750000 0.640601 0.359399 S\n0.250000 0.359399 0.640601 S\n0.046054 0.288119 0.711881 O\n0.250000 0.550368 0.686644 O\n0.750000 0.686645 0.550368 O\n0.453946 0.288119 0.711881 O\n0.500000 0.857267 0.857267 O\n0.000000 0.142733 0.142733 O\n0.546054 0.711881 0.288119 O\n0.953946 0.711881 0.288119 O\n0.000000 0.857267 0.857267 O\n0.750000 0.449632 0.313356 O\n0.250000 0.313356 0.449632 O\n0.500000 0.142733 0.142733 O\n",
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{
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"created_at": "2022-09-04T14:36:21.916874Z",
"updated_at": "2022-09-04T14:36:21.916901Z",
"structure_string": "Li5 Ti2 Cu3 O10\n1.0\n5.063355 -0.020311 -0.003814\n-1.524534 5.323257 0.029322\n-1.745750 -2.262615 7.018643\nLi Ti Cu O\n5 2 3 10\ndirect\n0.214442 0.878867 0.381449 Li\n0.401843 0.318283 0.800311 Li\n0.500000 0.500000 0.500000 Li\n0.598156 0.681717 0.199689 Li\n0.785557 0.121133 0.618551 Li\n0.096207 0.698424 0.691451 Ti\n0.903793 0.301576 0.308549 Ti\n0.698830 0.887187 0.899720 Cu\n0.301169 0.112813 0.100280 Cu\n0.000000 0.500000 -0.000000 Cu\n0.648874 0.327722 0.066093 O\n0.061692 0.031835 0.838615 O\n0.351126 0.672278 0.933907 O\n0.129507 0.332142 0.548958 O\n0.220494 0.527716 0.245824 O\n0.460936 0.872789 0.660399 O\n0.539064 0.127211 0.339601 O\n0.779506 0.472284 0.754176 O\n0.870493 0.667858 0.451042 O\n0.938308 0.968165 0.161385 O\n",
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{
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"updated_at": "2022-09-04T14:36:36.168150Z",
"structure_string": "Er2 Ag2 P4 Se12\n1.0\n3.307121 -5.728100 0.000000\n3.307121 5.728100 -0.000000\n0.000000 -0.000000 13.500076\nEr Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.666667 0.333333 0.334749 P\n0.666667 0.333333 0.165251 P\n0.333333 0.666667 0.665251 P\n0.333333 0.666667 0.834749 P\n0.341035 0.321880 0.384047 Se\n0.678120 0.658965 0.115954 Se\n0.341035 0.019154 0.115954 Se\n0.980846 0.321880 0.115954 Se\n0.019154 0.341035 0.615954 Se\n0.658965 0.980846 0.884047 Se\n0.658965 0.678120 0.615954 Se\n0.321880 0.341035 0.884047 Se\n0.678120 0.019154 0.384047 Se\n0.019154 0.678120 0.884047 Se\n0.321880 0.980846 0.615954 Se\n0.980846 0.658965 0.384047 Se\n",
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{
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"created_at": "2022-09-04T14:36:35.552438Z",
"updated_at": "2022-09-04T14:36:35.552469Z",
"structure_string": "Tb2 Yb4 Pr2 S12\n1.0\n0.000000 10.874604 -0.015145\n4.106837 0.000000 0.000000\n0.000000 -2.888869 -11.043965\nTb Yb Pr S\n2 4 2 12\ndirect\n0.170399 0.750001 0.030771 Tb\n0.829601 0.250000 0.969228 Tb\n0.947754 0.750001 0.350948 Yb\n0.052246 0.250000 0.649051 Yb\n0.671506 0.750001 0.584900 Yb\n0.328493 0.250000 0.415099 Yb\n0.528555 0.750001 0.182240 Pr\n0.471445 0.250000 0.817759 Pr\n0.597423 0.250000 0.384717 S\n0.402576 0.750001 0.615282 S\n0.271826 0.750001 0.727586 S\n0.728173 0.250000 0.272413 S\n0.301364 0.750001 0.260433 S\n0.628294 0.750001 0.967239 S\n0.950423 0.750001 0.106327 S\n0.049576 0.250000 0.893672 S\n0.900687 0.750001 0.571041 S\n0.371705 0.250000 0.032760 S\n0.698636 0.250000 0.739566 S\n0.099312 0.250000 0.428958 S\n",
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"created_at": "2022-09-04T14:38:41.150175Z",
"updated_at": "2022-09-04T14:38:41.150197Z",
"structure_string": "Tm1 Fe4 Cu3 O12\n1.0\n5.855166 -0.000000 -2.070114\n-2.927583 5.070723 -2.070114\n-0.000000 -0.000000 6.210342\nTm Fe Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500001 Fe\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000001 Cu\n0.298602 0.823789 0.122391 O\n0.701399 0.176211 0.877610 O\n0.474812 0.298601 0.176211 O\n0.525188 0.701398 0.823790 O\n0.122391 0.298601 0.823789 O\n0.823790 0.122391 0.298602 O\n0.176211 0.474812 0.298602 O\n0.823790 0.525188 0.701399 O\n0.701399 0.823789 0.525189 O\n0.176211 0.877609 0.701399 O\n0.877610 0.701398 0.176212 O\n0.298602 0.176211 0.474812 O\n",
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"created_at": "2022-09-04T14:38:41.141026Z",
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"structure_string": "V4 Ag4 O12\n1.0\n8.916039 -0.027152 2.313578\n8.207072 3.484317 2.313578\n-0.079795 -0.016111 8.055957\nV Ag O\n4 4 12\ndirect\n0.320861 0.320862 0.564143 V\n0.873464 0.873466 0.227864 V\n0.680401 0.680403 0.433238 V\n0.130675 0.130675 0.769118 V\n0.252176 0.252177 0.041381 Ag\n0.000522 0.000522 0.501052 Ag\n0.452474 0.452475 0.865961 Ag\n0.550233 0.550235 0.130051 Ag\n0.967293 0.967296 0.239941 O\n0.192044 0.192045 0.496023 O\n0.259953 0.259953 0.760706 O\n0.811249 0.811251 0.494642 O\n0.881472 0.881475 0.011885 O\n0.740722 0.740724 0.231341 O\n0.121316 0.121316 0.985601 O\n0.408794 0.408795 0.599955 O\n0.036451 0.036451 0.758497 O\n0.651690 0.651692 0.705923 O\n0.350996 0.350997 0.286973 O\n0.592414 0.592415 0.398412 O\n",
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{
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"created_at": "2022-09-04T14:38:40.708524Z",
"updated_at": "2022-09-04T14:38:40.708550Z",
"structure_string": "Tl4 Hg4 Cl12\n1.0\n4.354419 -0.000000 0.000000\n0.000000 9.104292 0.000000\n0.000000 0.000000 14.092965\nTl Hg Cl\n4 4 12\ndirect\n0.250000 0.444557 0.331634 Tl\n0.250000 0.944557 0.168366 Tl\n0.750000 0.555443 0.668366 Tl\n0.750000 0.055443 0.831634 Tl\n0.250000 0.172881 0.549807 Hg\n0.250000 0.672881 0.950194 Hg\n0.750000 0.827119 0.450194 Hg\n0.750000 0.327119 0.049806 Hg\n0.250000 0.544646 0.104797 Cl\n0.250000 0.044647 0.395204 Cl\n0.750000 0.345768 0.485283 Cl\n0.750000 0.845768 0.014717 Cl\n0.250000 0.654232 0.514717 Cl\n0.250000 0.776185 0.790380 Cl\n0.750000 0.223815 0.209621 Cl\n0.750000 0.723815 0.290379 Cl\n0.750000 0.955353 0.604797 Cl\n0.250000 0.276185 0.709621 Cl\n0.250000 0.154232 0.985283 Cl\n0.750000 0.455353 0.895204 Cl\n",
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{
"id": "jvasp-111680",
"created_at": "2022-09-04T14:38:40.966618Z",
"updated_at": "2022-09-04T14:38:40.966642Z",
"structure_string": "Mn2 Nb6 Se12\n1.0\n6.095085 0.000000 -0.000000\n-3.047542 5.278498 -0.000000\n-0.000000 0.000000 12.926882\nMn Nb Se\n2 6 12\ndirect\n0.333333 0.666667 0.250000 Mn\n0.666667 0.333333 0.750000 Mn\n0.333333 0.666667 0.001383 Nb\n0.666667 0.333333 -0.001383 Nb\n0.666667 0.333333 0.501383 Nb\n0.333333 0.666667 0.498617 Nb\n0.000000 0.000000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.673761 0.665859 0.129691 Se\n0.007903 0.334141 0.870309 Se\n0.326238 -0.007903 0.870309 Se\n0.665859 0.673762 0.870309 Se\n0.665858 -0.007903 0.629691 Se\n0.673761 0.007903 0.370309 Se\n0.326238 0.334141 0.629691 Se\n-0.007903 0.665859 0.370309 Se\n-0.007903 0.326238 0.129691 Se\n0.334141 0.326238 0.370309 Se\n0.007903 0.673762 0.629691 Se\n0.334141 0.007903 0.129691 Se\n",
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{
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"created_at": "2022-09-04T14:38:40.930518Z",
"updated_at": "2022-09-04T14:38:40.930551Z",
"structure_string": "Nd2 Co2 Sb2 Pb2 O12\n1.0\n5.781385 0.000000 0.000000\n0.000000 4.644015 3.230815\n0.000000 0.047116 9.728293\nNd Co Sb Pb O\n2 2 2 2 12\ndirect\n0.807584 0.267683 0.247641 Nd\n0.192417 0.267683 0.747640 Nd\n0.738932 0.504163 0.497517 Co\n0.261069 0.504164 0.997517 Co\n0.740603 -0.000068 0.000742 Sb\n0.259398 -0.000068 0.500741 Sb\n0.726807 0.748062 0.747484 Pb\n0.273194 0.748061 0.247485 Pb\n0.019179 0.744224 0.041849 O\n0.980821 0.744225 0.541849 O\n0.778357 0.179246 0.752150 O\n0.221644 0.179245 0.252150 O\n0.735872 0.853137 0.246644 O\n0.553464 0.656717 0.049493 O\n0.962390 0.311486 0.963023 O\n0.037611 0.311485 0.463023 O\n0.548455 0.235359 0.453451 O\n0.446537 0.656717 0.549492 O\n0.264129 0.853138 0.746643 O\n0.451545 0.235359 0.953450 O\n",
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{
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"created_at": "2022-09-04T14:38:40.805663Z",
"updated_at": "2022-09-04T14:38:40.805688Z",
"structure_string": "Ba4 Cu3 Re1 O12\n1.0\n6.615160 -0.000000 -2.338812\n-3.307580 5.728897 -2.338812\n-0.000000 -0.000000 7.016437\nBa Cu Re O\n4 3 1 12\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500001 Ba\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500001 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Re\n0.500000 0.750000 0.250001 O\n0.500000 0.250000 0.750001 O\n0.750000 0.250000 0.500001 O\n0.765910 0.765911 0.000001 O\n0.234090 0.000000 0.234090 O\n0.765910 0.000000 0.765911 O\n0.000000 0.234090 0.234090 O\n0.000000 0.765911 0.765911 O\n0.250000 0.500000 0.750001 O\n0.250000 0.750000 0.500001 O\n0.234090 0.234090 0.000000 O\n0.750000 0.500000 0.250001 O\n",
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}