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{
"id": "jvasp-59595",
"created_at": "2022-09-04T14:38:33.317050Z",
"updated_at": "2022-09-04T14:38:33.317086Z",
"structure_string": "Li2 V4 O8\n1.0\n5.050340 0.000000 2.915815\n1.683447 4.761506 2.915815\n-0.000000 -0.000000 5.831630\nLi V O\n2 4 8\ndirect\n0.874999 0.875001 0.875001 Li\n0.124999 0.125001 0.124999 Li\n0.500000 0.000000 0.499999 V\n0.999999 0.500000 0.500001 V\n0.499999 0.500000 0.000001 V\n0.499999 0.500000 0.500001 V\n0.259938 0.259938 0.259937 O\n0.259938 0.259938 0.720188 O\n0.740064 0.740063 0.740064 O\n0.740064 0.740063 0.279811 O\n0.279811 0.740063 0.740063 O\n0.259937 0.720190 0.259937 O\n0.720189 0.259938 0.259936 O\n0.740063 0.279811 0.740063 O\n",
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"structure_string": "Ti4 Fe1 Co1 S8\n1.0\n5.826678 0.022755 0.001008\n-2.877072 5.527915 -1.690685\n-0.000417 -0.001883 6.762962\nTi Fe Co S\n4 1 1 8\ndirect\n0.734250 0.987059 0.372676 Ti\n0.265750 0.012942 0.627324 Ti\n0.733444 0.985961 0.870172 Ti\n0.266556 0.014039 0.129828 Ti\n-0.000000 0.500000 0.000000 Fe\n-0.000000 0.500000 0.500000 Co\n0.958803 0.738506 0.307249 S\n0.442366 0.726034 0.056611 S\n0.959255 0.737297 0.811664 S\n0.443973 0.727160 0.556548 S\n0.040745 0.262703 0.188337 S\n0.557635 0.273966 0.943390 S\n0.041197 0.261495 0.692751 S\n0.556028 0.272840 0.443453 S\n",
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"formula_full": "Ti4 Fe1 Co1 S8",
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{
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"created_at": "2022-09-04T14:38:47.672822Z",
"updated_at": "2022-09-04T14:38:47.672859Z",
"structure_string": "Ca2 In4 S8\n1.0\n6.879528 -0.010975 -3.790207\n-2.291503 6.367718 -3.986838\n0.009785 0.010975 7.854520\nCa In S\n2 4 8\ndirect\n-0.000000 -0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.387931 0.637931 0.750000 In\n0.612069 0.362069 0.250000 In\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.251842 0.767500 0.015658 S\n0.251841 0.236183 0.484341 S\n0.253386 0.761940 0.491446 S\n0.770494 0.761941 0.008554 S\n0.748158 0.232500 0.984341 S\n0.748159 0.763817 0.515658 S\n0.746614 0.238061 0.508553 S\n0.229506 0.238060 0.991446 S\n",
"nsites": 14,
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"volume": 344.5175191663603,
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{
"id": "jvasp-112809",
"created_at": "2022-09-04T14:38:44.344371Z",
"updated_at": "2022-09-04T14:38:44.344399Z",
"structure_string": "Li2 Mn3 Ga1 O8\n1.0\n5.037266 0.060469 2.959403\n1.722898 4.733723 2.959711\n0.085829 0.060306 5.841631\nLi Mn Ga O\n2 3 1 8\ndirect\n0.123113 0.123092 0.123102 Li\n0.876889 0.876909 0.876896 Li\n0.499998 0.000003 0.499998 Mn\n0.499999 0.499999 0.000001 Mn\n0.000002 0.499998 0.499999 Mn\n0.500000 0.500000 0.500000 Ga\n0.262958 0.262927 0.262931 O\n0.713576 0.257362 0.257366 O\n0.257367 0.713584 0.257388 O\n0.257363 0.257376 0.713580 O\n0.742635 0.286417 0.742610 O\n0.742639 0.742625 0.286417 O\n0.286426 0.742638 0.742632 O\n0.737045 0.737074 0.737067 O\n",
"nsites": 14,
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"formula_full": "Li2 Mn3 Ga1 O8",
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{
"id": "jvasp-119267",
"created_at": "2022-09-04T14:38:46.979799Z",
"updated_at": "2022-09-04T14:38:46.979830Z",
"structure_string": "Mn4 O2 F8\n1.0\n2.996890 -0.350087 -0.000513\n-2.235947 5.028391 -0.000126\n0.002410 0.001283 11.711808\nMn O F\n4 2 8\ndirect\n-0.104976 0.118296 0.206812 Mn\n0.212456 0.469006 0.903576 Mn\n0.787578 0.530996 0.403578 Mn\n0.104975 0.881714 0.706818 Mn\n0.407928 0.671589 0.764153 O\n0.592060 0.328404 0.264153 O\n0.042243 0.284651 0.045925 F\n0.043400 0.300377 0.452671 F\n0.177656 0.885042 0.157970 F\n0.575248 0.789562 0.346212 F\n0.424750 0.210419 0.846209 F\n0.822328 0.114952 0.657970 F\n0.957791 0.715362 0.545926 F\n0.956627 0.699620 0.952674 F\n",
"nsites": 14,
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"volume": 167.3237834274581,
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{
"id": "jvasp-116681",
"created_at": "2022-09-04T14:38:44.890941Z",
"updated_at": "2022-09-04T14:38:44.890962Z",
"structure_string": "Li1 V1 Fe4 O8\n1.0\n4.852332 0.086720 2.726726\n-3.245047 4.521842 0.101467\n-0.225106 0.003975 5.747107\nLi V Fe O\n1 1 4 8\ndirect\n0.749999 0.375001 0.875002 Li\n0.250000 0.375000 0.375001 V\n0.507981 0.738471 0.753548 Fe\n0.992017 0.011530 -0.003546 Fe\n0.249999 0.875000 0.375001 Fe\n0.749999 0.375000 0.375001 Fe\n0.263137 0.120636 0.616227 O\n0.720369 0.118878 0.160754 O\n0.725426 0.611704 0.142079 O\n0.246217 0.132496 0.142078 O\n0.236862 0.629364 0.133774 O\n0.779630 0.631123 0.589249 O\n0.774573 0.138297 0.607923 O\n0.253782 0.617504 0.607923 O\n",
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],
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"volume": 130.45372890563945,
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"formula_full": "Li1 V1 Fe4 O8",
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{
"id": "jvasp-112392",
"created_at": "2022-09-04T14:38:39.596991Z",
"updated_at": "2022-09-04T14:38:39.597017Z",
"structure_string": "Ba6 W2 N6\n1.0\n8.364936 -0.000067 0.000000\n-4.182427 7.244287 0.000000\n-0.000000 -0.000000 5.674192\nBa W N\n6 2 6\ndirect\n0.903432 0.643658 0.250000 Ba\n0.740226 0.096568 0.250000 Ba\n0.356341 0.259773 0.250000 Ba\n0.096568 0.356342 0.750000 Ba\n0.259774 0.903432 0.750000 Ba\n0.643659 0.740227 0.750000 Ba\n0.666667 0.333335 0.750000 W\n0.333333 0.666665 0.250000 W\n0.878166 0.567103 0.750000 N\n0.688936 0.121835 0.750000 N\n0.432898 0.311063 0.750000 N\n0.121834 0.432897 0.250000 N\n0.311064 0.878165 0.250000 N\n0.567102 0.688937 0.250000 N\n",
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{
"id": "jvasp-112799",
"created_at": "2022-09-04T14:38:44.356655Z",
"updated_at": "2022-09-04T14:38:44.356683Z",
"structure_string": "Li2 Co2 P2 O8\n1.0\n4.519033 -0.496826 2.554404\n-1.900833 7.856735 -3.451476\n-0.009732 -0.560040 5.046163\nLi Co P O\n2 2 2 8\ndirect\n0.137605 0.477558 0.050248 Li\n0.437902 0.248942 0.525259 Li\n0.015074 0.077426 0.086684 Co\n0.560430 0.649086 0.488818 Co\n0.883825 0.619051 0.789273 P\n0.691678 0.107462 0.786231 P\n0.139494 0.547312 0.472074 O\n0.007011 0.206423 0.850884 O\n0.436014 0.179203 0.103443 O\n0.623951 0.903849 0.690248 O\n0.860376 0.568859 0.056469 O\n0.568504 0.520088 0.724605 O\n0.715139 0.157664 0.519037 O\n0.951527 0.822663 0.885239 O\n",
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],
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"density_atomic": 0.08305623762240301,
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"formula_full": "Li2 Co2 P2 O8",
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{
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"created_at": "2022-09-04T14:38:44.884794Z",
"updated_at": "2022-09-04T14:38:44.884810Z",
"structure_string": "La1 Mg2 Cr3 S8\n1.0\n6.419141 0.001875 3.965031\n2.215232 6.023481 3.968186\n0.006548 0.001890 7.545143\nLa Mg Cr S\n1 2 3 8\ndirect\n0.500004 0.500014 0.499987 La\n0.875883 0.875894 0.875896 Mg\n0.124112 0.124107 0.124101 Mg\n0.499999 0.499993 0.000002 Cr\n0.000001 0.499997 0.500003 Cr\n0.500000 0.999995 0.500007 Cr\n0.737695 0.737639 0.737703 S\n0.237412 0.237362 0.723475 S\n0.237370 0.723473 0.237360 S\n0.723476 0.237363 0.237409 S\n0.762627 0.276527 0.762633 S\n0.276521 0.762633 0.762596 S\n0.262304 0.262347 0.262309 S\n0.762600 0.762646 0.276524 S\n",
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"created_at": "2022-09-04T14:38:34.066712Z",
"updated_at": "2022-09-04T14:38:34.066763Z",
"structure_string": "Sc4 Zn2 Se8\n1.0\n-5.512592 -5.512592 -0.000000\n-5.512592 -0.000000 -5.512592\n0.000000 -5.512592 -5.512592\nSc Zn Se\n4 2 8\ndirect\n0.000000 0.000000 0.500000 Sc\n0.000000 0.500000 0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.375000 0.375000 0.375000 Zn\n0.625000 0.625000 0.625000 Zn\n0.245044 0.245044 0.764869 Se\n0.245044 0.764869 0.245044 Se\n0.764869 0.245044 0.245044 Se\n0.245044 0.245044 0.245044 Se\n0.754956 0.754956 0.235131 Se\n0.754956 0.235131 0.754956 Se\n0.235131 0.754956 0.754956 Se\n0.754956 0.754956 0.754956 Se\n",
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"structure_string": "Mg2 Ni4 S8\n1.0\n6.204497 0.000000 -3.257440\n-1.710197 5.964145 -3.257440\n-0.286363 -0.380017 6.992182\nMg Ni S\n2 4 8\ndirect\n0.375000 0.625000 0.750000 Mg\n0.625000 0.375000 0.250000 Mg\n0.000000 -0.000000 0.500000 Ni\n-0.000000 0.500000 0.000000 Ni\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.765786 0.797283 0.531572 S\n0.765713 0.234214 0.968428 S\n0.202717 0.234214 0.968428 S\n0.234215 0.202717 0.468428 S\n0.234215 0.765713 0.468429 S\n0.234287 0.765786 0.031572 S\n0.765786 0.234287 0.531572 S\n0.797283 0.765786 0.031572 S\n",
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{
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"created_at": "2022-09-04T14:38:44.670847Z",
"updated_at": "2022-09-04T14:38:44.670870Z",
"structure_string": "Ag6 Sb1 As1 S6\n1.0\n6.804763 0.020447 -1.445904\n-1.789508 6.565279 -1.445904\n0.015571 0.020447 6.956667\nAg Sb As S\n6 1 1 6\ndirect\n0.967807 0.789351 0.437857 Ag\n0.437856 0.967809 0.789351 Ag\n0.789350 0.437857 0.967809 Ag\n0.939126 0.257702 0.455947 Ag\n0.455945 0.939127 0.257703 Ag\n0.257701 0.455946 0.939127 Ag\n0.532369 0.532370 0.532370 Sb\n0.011931 0.011931 0.011931 As\n0.103195 0.771075 0.786454 S\n0.786452 0.103196 0.771075 S\n0.771073 0.786453 0.103196 S\n0.287263 0.262855 0.617073 S\n0.617072 0.287264 0.262855 S\n0.262854 0.617073 0.287264 S\n",
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]
}