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{
"id": "jvasp-22394",
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"structure_string": "Ti6 Se8\n1.0\n4.947741 -8.569740 0.000000\n4.947741 8.569740 -0.000000\n-0.000000 -0.000000 3.580729\nTi Se\n6 8\ndirect\n0.359152 0.870478 0.750000 Ti\n0.488674 0.359152 0.250000 Ti\n0.870478 0.511325 0.250000 Ti\n0.129521 0.488674 0.750000 Ti\n0.511326 0.640848 0.750000 Ti\n0.640848 0.129521 0.250000 Ti\n0.049690 0.699614 0.750000 Se\n0.350075 0.049690 0.250000 Se\n0.699613 0.649924 0.250000 Se\n0.300386 0.350075 0.750000 Se\n0.649924 0.950310 0.750000 Se\n0.950310 0.300386 0.250000 Se\n0.333333 0.666667 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
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"structure_string": "K1 La2 Ag3 Te8\n1.0\n4.459547 0.000000 0.000000\n0.000000 4.459547 0.000000\n0.000000 0.000000 21.383240\nK La Ag Te\n1 2 3 8\ndirect\n0.000000 0.000000 0.737237 K\n0.000000 0.000000 0.197999 La\n0.500000 0.500000 -0.002231 La\n-0.000000 0.500000 0.584207 Ag\n0.500000 0.000000 0.584207 Ag\n0.500000 0.500000 0.495586 Ag\n0.500000 0.500000 0.670292 Te\n0.500000 0.000000 0.319962 Te\n0.500000 0.000000 0.875577 Te\n-0.000000 0.500000 0.319962 Te\n0.000000 0.000000 0.039902 Te\n0.500000 0.500000 0.154317 Te\n-0.000000 0.500000 0.875577 Te\n0.000000 0.000000 0.487343 Te\n",
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{
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"updated_at": "2022-09-04T14:38:53.168900Z",
"structure_string": "Li4 Fe2 F8\n1.0\n4.981479 -0.030255 -0.000000\n-4.172654 2.721215 0.000000\n0.000000 0.000000 9.798950\nLi Fe F\n4 2 8\ndirect\n0.623773 0.376226 0.063152 Li\n0.623773 0.376226 0.436848 Li\n0.376228 0.623774 0.563152 Li\n0.376228 0.623774 0.936848 Li\n0.875750 0.124248 0.250000 Fe\n0.124251 0.875752 0.750000 Fe\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.536069 0.463932 0.250000 F\n0.726358 0.273641 0.618532 F\n0.726358 0.273641 0.881468 F\n0.463932 0.536069 0.750000 F\n0.273643 0.726359 0.118532 F\n0.273643 0.726359 0.381468 F\n",
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"volume": 131.59433005279027,
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{
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"created_at": "2022-09-04T14:38:50.277524Z",
"updated_at": "2022-09-04T14:38:50.277547Z",
"structure_string": "Ca2 Cu4 O8\n1.0\n5.110009 0.044981 -3.582303\n-1.358087 4.926441 -3.582303\n-0.033947 -0.044981 6.240508\nCa Cu O\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.875000 0.625000 0.250000 Cu\n0.374999 0.625000 0.750000 Cu\n0.375000 0.125000 0.750000 Cu\n0.375000 0.625000 0.250000 Cu\n0.021664 0.943329 0.365515 O\n0.056670 0.422186 0.078335 O\n0.343850 0.978335 0.921665 O\n0.172185 0.593851 0.865516 O\n0.406149 0.271665 0.578335 O\n0.693329 0.827814 0.421665 O\n0.577813 0.656149 0.634485 O\n0.728335 0.306671 0.134485 O\n",
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{
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"created_at": "2022-09-04T14:38:50.271273Z",
"updated_at": "2022-09-04T14:38:50.271298Z",
"structure_string": "Ba1 Ca2 Mg1 Si2 O8\n1.0\n5.448987 0.000000 0.000000\n-2.724495 4.718961 0.000000\n-0.000000 -0.000000 6.838021\nBa Ca Mg Si O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.333334 0.666667 0.841093 Ca\n0.666667 0.333333 0.158907 Ca\n0.000000 0.000000 0.000000 Mg\n0.333334 0.666667 0.272792 Si\n0.666667 0.333333 0.727208 Si\n0.333334 0.666667 0.509306 O\n0.666667 0.333333 0.490693 O\n0.646131 0.886572 0.174615 O\n0.113428 0.759557 0.174615 O\n0.240443 0.353870 0.174615 O\n0.353871 0.113427 0.825384 O\n0.886573 0.240443 0.825384 O\n0.759558 0.646130 0.825384 O\n",
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{
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"created_at": "2022-09-04T14:38:53.191893Z",
"updated_at": "2022-09-04T14:38:53.191922Z",
"structure_string": "K4 S2 O8\n1.0\n5.744561 -0.038163 0.004653\n-2.698538 5.071423 0.004653\n-0.006769 -0.011185 7.858863\nK S O\n4 2 8\ndirect\n0.308753 0.691246 0.249999 K\n0.691246 0.308755 0.749999 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.651071 0.348930 0.249999 S\n0.348929 0.651071 0.749999 S\n0.738040 0.261977 0.095419 O\n0.261960 0.738024 0.904580 O\n0.261976 0.738040 0.595419 O\n0.738023 0.261961 0.404580 O\n0.355273 0.230512 0.249981 O\n0.644727 0.769489 0.750018 O\n0.230511 0.355274 0.749981 O\n0.769488 0.644727 0.250018 O\n",
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"spacegroup": 63
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{
"id": "jvasp-122494",
"created_at": "2022-09-04T14:38:54.263029Z",
"updated_at": "2022-09-04T14:38:54.263055Z",
"structure_string": "Ba2 Ca1 Cu2 Mo1 O8\n1.0\n3.910138 -0.000000 0.000000\n0.000000 3.910138 0.000000\n-0.000000 -0.000000 12.176698\nBa Ca Cu Mo O\n2 1 2 1 8\ndirect\n0.500000 0.500000 0.790368 Ba\n0.500000 0.500000 0.209632 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.379030 Cu\n0.000000 0.000000 0.620970 Cu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.626913 O\n-0.000000 0.500000 0.626913 O\n0.500000 0.000000 0.373087 O\n-0.000000 0.500000 0.373087 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.154421 O\n0.000000 0.000000 0.845579 O\n",
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{
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"created_at": "2022-09-04T14:38:53.123275Z",
"updated_at": "2022-09-04T14:38:53.123301Z",
"structure_string": "Dy3 Ga8 Ir3\n1.0\n7.859456 0.004438 -2.201204\n-0.806571 3.974499 -7.083019\n-0.012994 -0.004438 8.161873\nDy Ga Ir\n3 8 3\ndirect\n0.500000 0.500000 0.000001 Dy\n0.168961 0.168961 0.000000 Dy\n0.831040 0.831040 0.000001 Dy\n0.091236 0.375426 0.715810 Ga\n0.908765 0.624575 0.284191 Ga\n0.659617 0.375426 0.284191 Ga\n0.340384 0.624574 0.715810 Ga\n0.797743 0.169751 0.627993 Ga\n0.202258 0.830250 0.372008 Ga\n0.541759 0.169751 0.372008 Ga\n0.458242 0.830250 0.627992 Ga\n0.000000 0.500000 0.500000 Ir\n0.778683 -0.000000 0.778683 Ir\n0.221318 -0.000000 0.221318 Ir\n",
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{
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"created_at": "2022-09-04T14:38:50.384651Z",
"updated_at": "2022-09-04T14:38:50.384669Z",
"structure_string": "Mg2 Cr3 Fe1 S8\n1.0\n6.182969 0.005759 3.526157\n2.049907 5.840651 3.513372\n0.000320 0.015071 7.117504\nMg Cr Fe S\n2 3 1 8\ndirect\n0.875287 0.875313 0.875280 Mg\n0.124714 0.124687 0.124718 Mg\n0.500001 0.500001 0.000001 Cr\n0.000001 0.499999 0.499999 Cr\n0.500001 -0.000001 0.499999 Cr\n0.500000 0.499999 0.500001 Fe\n0.737262 0.737299 0.737269 S\n0.268090 0.268122 0.708588 S\n0.268112 0.708579 0.268143 S\n0.708593 0.268101 0.268099 S\n0.731888 0.291421 0.731860 S\n0.291409 0.731898 0.731902 S\n0.262741 0.262701 0.262728 S\n0.731912 0.731875 0.291411 S\n",
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"structure_string": "Li2 V3 Fe1 O8\n1.0\n5.923511 -0.017912 1.696167\n4.627728 3.697627 1.696167\n-0.000402 -0.000140 6.262673\nLi V Fe O\n2 3 1 8\ndirect\n0.941727 0.941729 0.321508 Li\n0.058082 0.058082 0.653796 Li\n0.718130 0.718132 0.704631 V\n0.609811 0.609813 0.294559 V\n0.385019 0.385020 0.724308 V\n0.285956 0.285956 0.303887 Fe\n0.889057 0.889059 0.676025 O\n0.767889 0.767891 0.353674 O\n0.655737 0.655739 0.994104 O\n0.559699 0.559700 0.646817 O\n0.442471 0.442472 0.354318 O\n0.344350 0.344351 0.006148 O\n0.226720 0.226720 0.653359 O\n0.115350 0.115351 0.312868 O\n",
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"created_at": "2022-09-04T14:38:50.248125Z",
"updated_at": "2022-09-04T14:38:50.248152Z",
"structure_string": "Co6 O8\n1.0\n4.947593 -0.188397 2.768128\n1.763539 4.501845 2.959579\n0.080384 -0.188734 5.670694\nCo O\n6 8\ndirect\n0.625002 0.625002 0.124995 Co\n0.124994 0.625003 0.625001 Co\n0.250095 0.249968 0.250024 Co\n-0.000095 0.000032 -0.000023 Co\n0.625001 0.124995 0.625002 Co\n0.625001 0.625003 0.625002 Co\n0.384939 0.845960 0.384905 O\n0.403999 0.865052 0.865824 O\n0.384162 0.384849 0.846012 O\n0.845998 0.384950 0.384176 O\n0.384868 0.384173 0.384969 O\n0.865837 0.865154 0.403987 O\n0.865060 0.404041 0.865095 O\n0.865131 0.865829 0.865032 O\n",
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{
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"created_at": "2022-09-04T14:38:53.985505Z",
"updated_at": "2022-09-04T14:38:53.985527Z",
"structure_string": "Mg1 Fe4 Co1 O8\n1.0\n4.987490 0.082878 3.038089\n1.747132 4.672200 3.038089\n0.117380 0.082878 5.838773\nMg Fe Co O\n1 4 1 8\ndirect\n0.001380 0.001380 0.001380 Mg\n0.626836 0.626837 0.626836 Fe\n0.502920 -0.002217 -0.002218 Fe\n-0.002218 -0.002217 0.502920 Fe\n-0.002218 0.502920 -0.002217 Fe\n0.370644 0.370645 0.370645 Co\n0.230569 0.749906 0.749905 O\n0.749905 0.749906 0.230570 O\n0.749905 0.230570 0.749905 O\n0.752538 0.752539 0.752538 O\n0.774101 0.251399 0.251399 O\n0.251398 0.251399 0.774101 O\n0.251398 0.774102 0.251399 O\n0.242838 0.242838 0.242838 O\n",
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}