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{
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{
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"structure_string": "V2 Co6 As2 O16\n1.0\n6.474510 0.092014 -0.018527\n3.744409 5.282722 -0.018527\n-0.035971 -0.018919 8.291667\nV Co As O\n2 6 2 16\ndirect\n0.625846 0.625844 0.883394 V\n0.374155 0.374155 0.116606 V\n0.500001 0.499999 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.884342 0.367828 0.249611 Co\n0.632171 0.115658 0.750389 Co\n0.115659 0.632170 0.750389 Co\n0.367830 0.884341 0.249611 Co\n0.131482 0.131482 0.616269 As\n0.868519 0.868517 0.383731 As\n0.365911 0.879853 0.497666 O\n0.120147 0.634089 0.502334 O\n0.377656 0.857882 0.004574 O\n0.142118 0.622345 0.995425 O\n0.634090 0.120146 0.502334 O\n0.879854 0.365909 0.497666 O\n0.990699 0.990697 0.251139 O\n0.753425 0.753423 0.770383 O\n0.502357 0.502356 0.746793 O\n0.497644 0.497643 0.253206 O\n0.246576 0.246576 0.229616 O\n0.857883 0.377654 0.004574 O\n0.254143 0.254142 0.738226 O\n0.745858 0.745857 0.261773 O\n0.009302 0.009301 0.748861 O\n0.622346 0.142117 0.995425 O\n",
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{
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"updated_at": "2022-09-04T14:38:33.862459Z",
"structure_string": "K16 Sn2 Sb8\n1.0\n9.970494 -0.000000 5.756467\n3.323498 9.400271 5.756467\n-0.000000 -0.000000 11.512934\nK Sn Sb\n16 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.149066 0.600934 0.600934 K\n0.399066 0.850934 0.850934 K\n0.600934 0.149066 0.600934 K\n0.149066 0.149066 0.600934 K\n0.149066 0.600934 0.149066 K\n0.399066 0.850934 0.399066 K\n0.850934 0.399066 0.850934 K\n0.600934 0.600934 0.149066 K\n0.399066 0.399066 0.850934 K\n0.850934 0.850934 0.399067 K\n0.600934 0.149066 0.149066 K\n0.850934 0.399066 0.399066 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.125000 0.125000 0.125000 Sn\n0.875000 0.875000 0.875000 Sn\n0.229342 0.229342 0.811973 Sb\n0.229342 0.229342 0.229342 Sb\n0.770658 0.770657 0.188028 Sb\n0.188027 0.770657 0.770658 Sb\n0.770657 0.188027 0.770658 Sb\n0.811973 0.229342 0.229343 Sb\n0.229343 0.811973 0.229343 Sb\n0.770658 0.770657 0.770658 Sb\n",
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{
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"structure_string": "Tl2 In10 S14\n1.0\n0.000000 9.220332 -0.011768\n3.941399 0.000000 0.000000\n0.000000 -3.720690 -17.114957\nTl In S\n2 10 14\ndirect\n0.974213 0.250000 0.274780 Tl\n0.025787 0.750000 0.725221 Tl\n0.565864 0.250000 0.119583 In\n0.476509 0.750000 0.397466 In\n0.827652 0.250000 0.467548 In\n0.319705 0.250000 0.188858 In\n0.680295 0.750000 0.811143 In\n0.434136 0.750000 0.880417 In\n0.854883 0.750000 0.045853 In\n0.523491 0.250000 0.602534 In\n0.145117 0.250000 0.954148 In\n0.172348 0.750000 0.532453 In\n0.739684 0.250000 0.728119 S\n0.335718 0.750000 0.006670 S\n0.614995 0.250000 0.347203 S\n0.385005 0.750000 0.652797 S\n0.035785 0.250000 0.588909 S\n0.742895 0.750000 0.172456 S\n0.964215 0.750000 0.411091 S\n0.669641 0.750000 0.532994 S\n0.056912 0.250000 0.090154 S\n0.664282 0.250000 0.993331 S\n0.330359 0.250000 0.467007 S\n0.257105 0.250000 0.827544 S\n0.260316 0.750000 0.271881 S\n0.943088 0.750000 0.909846 S\n",
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"structure_string": "Ba6 Ni5 O15\n1.0\n7.189962 -0.000645 0.259260\n0.250056 7.185612 0.259260\n-0.000668 -0.000645 7.194635\nBa Ni O\n6 5 15\ndirect\n0.334554 0.665446 0.000000 Ba\n-0.000000 0.334554 0.665447 Ba\n0.665446 0.000001 0.334554 Ba\n0.148158 0.851842 0.500000 Ba\n0.500000 0.148159 0.851843 Ba\n0.851842 0.500000 0.148158 Ba\n0.500000 0.500000 0.500000 Ni\n0.710525 0.710525 0.710525 Ni\n0.289475 0.289475 0.289475 Ni\n0.905057 0.905058 0.905058 Ni\n0.094942 0.094943 0.094943 Ni\n0.766158 0.628484 0.472486 O\n0.233842 0.527515 0.371517 O\n0.527514 0.371517 0.233842 O\n0.371517 0.233842 0.527515 O\n0.000000 0.854021 0.145979 O\n0.854021 0.145980 0.000000 O\n0.331675 0.036564 0.193376 O\n0.963436 0.668326 0.806625 O\n0.668325 0.806625 0.963437 O\n0.806625 0.963437 0.668325 O\n0.193375 0.331675 0.036564 O\n0.472486 0.766159 0.628484 O\n0.036564 0.193376 0.331676 O\n0.145979 0.000001 0.854021 O\n0.628483 0.472486 0.766159 O\n",
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"structure_string": "Co6 P4 O16\n1.0\n4.736850 0.000082 0.000072\n-0.000117 5.896110 -0.109269\n-0.000131 -0.057617 10.227228\nCo P O\n6 4 16\ndirect\n0.499999 0.500001 0.500002 Co\n0.015404 0.761285 0.722889 Co\n0.484593 0.761284 0.222888 Co\n0.000000 0.499998 -0.000003 Co\n0.515405 0.238715 0.777111 Co\n0.984594 0.238717 0.277111 Co\n0.927535 0.746629 0.403010 P\n0.572464 0.746630 0.903010 P\n0.072464 0.253369 0.596990 P\n0.427537 0.253371 0.096989 P\n0.251487 0.733236 0.399148 O\n0.807127 0.944864 0.322805 O\n0.692877 0.944866 0.822808 O\n0.751489 0.266763 0.100852 O\n0.248513 0.733240 0.899148 O\n0.748513 0.266758 0.600852 O\n0.809182 0.745883 0.544580 O\n0.276848 0.467388 0.164918 O\n0.690816 0.745877 0.044580 O\n0.190815 0.254122 0.455420 O\n0.776847 0.532611 0.335082 O\n0.307128 0.055135 0.177195 O\n0.223147 0.467385 0.664921 O\n0.723147 0.532614 0.835079 O\n0.309184 0.254116 0.955420 O\n0.192878 0.055133 0.677192 O\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "Co-O-P",
"density": 4.264541111184195,
"density_atomic": 0.09103440234489821,
"volume": 285.6063128914154,
"volume_molar": 6.615236223756562,
"formula_full": "Co6 P4 O16",
"formula_reduced": "Co3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.1926585923076924,
"spacegroup": 14
},
{
"id": "jvasp-55455",
"created_at": "2022-09-04T14:38:33.943318Z",
"updated_at": "2022-09-04T14:38:33.943346Z",
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"elements": [
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],
"chemical_system": "O-V-Zn",
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"density_atomic": 0.08738134761935873,
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"volume_molar": 6.891792040371138,
"formula_full": "V4 Zn6 O16",
"formula_reduced": "V2Zn3O8",
"formula_anonymous": "A2B3C8",
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"spacegroup": 64
}
]
}