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{
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"structure_string": "Ca4 H16 N24 O8\n1.0\n10.975644 0.000000 -3.422517\n0.000000 6.060509 0.000000\n-0.080163 0.000000 7.888898\nCa H N O\n4 16 24 8\ndirect\n0.512139 0.745941 0.179834 Ca\n0.012139 0.754059 0.679835 Ca\n0.487861 0.254059 0.820166 Ca\n0.987861 0.245941 0.320165 Ca\n0.109353 0.696213 0.379755 H\n0.609353 0.803787 0.879755 H\n0.890647 0.303787 0.620245 H\n0.390647 0.196213 0.120245 H\n0.696175 0.980273 0.007331 H\n0.803825 0.480273 0.492668 H\n0.303825 0.019728 0.992669 H\n0.196175 0.519728 0.507332 H\n0.702656 0.458629 0.112782 H\n0.797343 0.958629 0.387217 H\n0.297344 0.541371 0.887218 H\n0.129016 0.204193 0.703498 H\n0.629016 0.295807 0.203498 H\n0.870984 0.795808 0.296502 H\n0.370984 0.704193 0.796502 H\n0.202657 0.041371 0.612783 H\n0.629762 0.600404 0.610940 N\n0.129762 0.899596 0.110941 N\n0.608451 0.127790 0.623725 N\n0.108451 0.372210 0.123724 N\n0.391549 0.872210 0.376275 N\n0.659433 0.611615 0.480431 N\n0.340567 0.388385 0.519569 N\n0.840566 0.111615 0.019569 N\n0.159434 0.888385 0.980431 N\n0.870238 0.100404 0.889059 N\n0.891549 0.627791 0.876275 N\n0.370238 0.399596 0.389059 N\n0.900107 0.084948 0.758946 N\n0.373151 0.896946 0.512277 N\n0.645868 0.071922 0.348509 N\n0.873150 0.603054 0.012277 N\n0.354132 0.928078 0.651491 N\n0.854132 0.571922 0.151490 N\n0.400107 0.415052 0.258946 N\n0.145868 0.428078 0.848510 N\n0.599893 0.584948 0.741054 N\n0.099893 0.915052 0.241054 N\n0.626849 0.103054 0.487723 N\n0.126850 0.396946 0.987723 N\n0.382073 0.589378 0.892992 O\n0.882072 0.910622 0.392991 O\n0.617927 0.410622 0.107008 O\n0.117927 0.089378 0.607008 O\n0.388434 0.082552 0.025417 O\n0.888434 0.417448 0.525417 O\n0.611566 0.917449 0.974583 O\n0.111566 0.582552 0.474583 O\n",
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{
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"created_at": "2022-09-04T14:35:56.680945Z",
"updated_at": "2022-09-04T14:35:56.680954Z",
"structure_string": "Na8 Cu4 H16 O16\n1.0\n6.709794 0.000000 0.000000\n0.000000 6.672857 0.000000\n0.000000 0.000000 9.018354\nNa Cu H O\n8 4 16 16\ndirect\n0.998186 0.795000 0.748265 Na\n0.001813 0.205001 0.248265 Na\n0.501813 0.295000 0.248265 Na\n0.498187 0.705001 0.748265 Na\n0.758003 0.494325 0.498184 Na\n0.241996 0.505676 0.998184 Na\n0.741996 0.994325 0.998184 Na\n0.258004 0.005676 0.498184 Na\n0.267880 0.006983 0.998741 Cu\n0.732120 0.993018 0.498741 Cu\n0.232120 0.506983 0.498741 Cu\n0.767879 0.493017 0.998741 Cu\n0.498953 0.260506 0.902359 H\n0.501046 0.739495 0.402359 H\n0.001047 0.760506 0.402359 H\n-0.001047 0.239494 0.902359 H\n0.488187 0.289320 0.599874 H\n0.511813 0.710681 0.099874 H\n0.988186 0.210681 0.599874 H\n0.011813 0.789320 0.099874 H\n0.768581 0.664272 0.238801 H\n0.268581 0.835729 0.238801 H\n0.731418 0.164272 0.738801 H\n0.590762 0.957658 0.254723 H\n0.409237 0.042343 0.754723 H\n0.909237 0.457657 0.754723 H\n0.090763 0.542343 0.254723 H\n0.231419 0.335729 0.738801 H\n0.032295 0.720329 0.503896 O\n0.967705 0.279671 0.003896 O\n0.052277 0.807874 0.996738 O\n0.947723 0.192127 0.496738 O\n0.447723 0.307873 0.496738 O\n0.552276 0.692127 0.996738 O\n0.294500 0.979553 0.221710 O\n0.265645 0.022485 0.774907 O\n0.205500 0.479553 0.721709 O\n0.794500 0.520447 0.221710 O\n0.734354 0.977515 0.274907 O\n0.234355 0.522485 0.274907 O\n0.765645 0.477515 0.774907 O\n0.532295 0.779672 0.503896 O\n0.705499 0.020447 0.721709 O\n0.467705 0.220329 0.003896 O\n",
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{
"id": "jvasp-95207",
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"structure_string": "Sr2 H12 C8 O14\n1.0\n6.565979 3.185444 -0.944718\n-6.565979 3.185444 0.944718\n0.011571 0.000000 8.426977\nSr H C O\n2 12 8 14\ndirect\n0.986544 0.986544 0.750000 Sr\n0.013455 0.013455 0.250000 Sr\n0.449797 0.538810 0.677895 H\n0.538810 0.449797 0.822105 H\n0.550202 0.461189 0.322105 H\n0.461189 0.550202 0.177895 H\n0.135719 0.412888 0.478920 H\n0.412888 0.135719 0.021080 H\n0.587111 0.864279 0.978920 H\n0.110910 0.492531 0.638212 H\n0.492531 0.110910 0.861789 H\n0.889088 0.507467 0.361789 H\n0.507467 0.889088 0.138212 H\n0.864279 0.587111 0.521081 H\n0.551010 0.013191 0.621455 C\n0.448989 0.986808 0.378545 C\n0.986808 0.448989 0.121455 C\n0.013190 0.551010 0.878545 C\n0.386724 0.033765 0.518469 C\n0.033765 0.386724 0.981532 C\n0.613275 0.966234 0.481532 C\n0.966234 0.613275 0.018468 C\n0.969700 0.378761 0.267915 O\n0.378761 0.969700 0.232085 O\n0.246051 0.072965 0.533740 O\n0.072965 0.246051 0.966260 O\n0.753948 0.927034 0.466260 O\n0.927034 0.753948 0.033740 O\n0.410699 0.410699 0.250000 O\n0.589300 0.589300 0.750000 O\n0.405207 0.156978 0.903380 O\n0.156978 0.405207 0.596620 O\n0.594792 0.843021 0.096620 O\n0.843021 0.594792 0.403380 O\n0.621238 0.030299 0.767915 O\n0.030299 0.621238 0.732085 O\n",
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{
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"created_at": "2022-09-04T14:35:47.079599Z",
"updated_at": "2022-09-04T14:35:47.079630Z",
"structure_string": "Na6 Li6 S6 O24\n1.0\n7.596430 -0.000000 0.000000\n-3.798215 6.578701 -0.000000\n-0.000000 0.000000 9.884198\nNa Li S O\n6 6 6 24\ndirect\n0.543346 0.516898 0.489201 Na\n0.483102 0.026448 0.489201 Na\n0.973552 0.456655 0.489201 Na\n0.456655 0.973552 0.989201 Na\n0.026448 0.483102 0.989201 Na\n0.516899 0.543345 0.989201 Na\n0.037782 0.792457 0.761372 Li\n0.207543 0.245325 0.761372 Li\n0.754676 0.962218 0.761372 Li\n0.792457 0.037782 0.261372 Li\n0.245325 0.207543 0.261372 Li\n0.962219 0.754675 0.261372 Li\n0.000000 0.000000 0.501852 S\n0.666667 0.333333 0.195416 S\n0.333333 0.666667 0.695416 S\n0.000000 0.000000 0.001852 S\n0.333333 0.666667 0.263357 S\n0.666667 0.333333 0.763357 S\n0.787478 0.886699 0.952042 O\n0.473991 0.312856 0.814721 O\n0.687144 0.161135 0.814721 O\n0.838866 0.526009 0.814721 O\n0.312856 0.473991 0.314721 O\n0.161135 0.687144 0.314721 O\n0.526010 0.838865 0.314721 O\n0.000000 0.000000 0.155139 O\n0.000000 0.000000 0.655139 O\n0.666667 0.333333 0.344876 O\n0.333333 0.666667 0.844876 O\n0.229954 0.775519 0.643216 O\n0.224481 0.454434 0.643216 O\n0.545566 0.770046 0.643216 O\n0.775520 0.229954 0.143216 O\n0.454435 0.224481 0.143216 O\n0.770046 0.545565 0.143216 O\n0.212522 0.099221 0.452042 O\n0.900779 0.113301 0.452042 O\n0.886700 0.787478 0.452042 O\n0.333333 0.666667 0.113706 O\n0.113301 0.900778 0.952042 O\n0.666667 0.333333 0.613706 O\n0.099222 0.212522 0.952042 O\n",
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{
"id": "jvasp-95201",
"created_at": "2022-09-04T14:35:42.206070Z",
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"structure_string": "Ba2 Nd4 Ti6 O20\n1.0\n3.887742 -0.000000 -0.533743\n0.000000 7.684162 0.000000\n-0.020746 0.000000 14.274762\nBa Nd Ti O\n2 4 6 20\ndirect\n0.256579 0.750000 0.513159 Ba\n0.743420 0.250000 0.486841 Ba\n0.427313 0.750000 0.854627 Nd\n0.419783 0.250000 0.839568 Nd\n0.580216 0.750000 0.160432 Nd\n0.572686 0.250000 0.145373 Nd\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.853883 0.994502 0.707768 Ti\n0.146115 0.005498 0.292232 Ti\n0.146115 0.494502 0.292232 Ti\n0.853883 0.505498 0.707768 Ti\n0.147296 0.750000 0.294592 O\n0.852702 0.250000 0.705408 O\n0.877594 0.750000 0.755191 O\n0.122405 0.250000 0.244809 O\n0.369130 0.507684 0.738261 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.933206 0.054123 0.866414 O\n0.066792 0.945877 0.133586 O\n0.066792 0.554123 0.133586 O\n0.933206 0.445877 0.866414 O\n0.792404 0.951496 0.584812 O\n0.207594 0.048504 0.415188 O\n0.207594 0.451496 0.415188 O\n0.792404 0.548503 0.584812 O\n0.369130 0.992316 0.738261 O\n0.630869 0.007684 0.261739 O\n0.630869 0.492316 0.261739 O\n0.017027 0.250000 0.034054 O\n0.982972 0.750000 0.965946 O\n",
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{
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"structure_string": "Mg2 Ni2 P2 O10\n1.0\n5.260443 -0.144592 0.410557\n-1.417056 5.128393 -0.070905\n-1.082326 -1.968729 5.941767\nMg Ni P O\n2 2 2 10\ndirect\n0.886534 0.725582 0.258560 Mg\n0.114655 0.277053 0.727687 Mg\n0.500593 0.001336 0.493147 Ni\n0.500577 0.001326 -0.006853 Ni\n0.237754 0.354866 0.238955 P\n0.763432 0.647812 0.747326 P\n0.523496 0.371403 0.179812 O\n0.180618 0.154418 0.385872 O\n0.477697 0.631255 0.806490 O\n0.820536 0.848220 0.600380 O\n0.775730 0.362936 0.604069 O\n-0.026854 0.734057 0.955056 O\n0.225464 0.639729 0.382256 O\n0.028068 0.268712 0.031223 O\n0.385335 0.076534 0.757532 O\n0.615849 0.926128 0.228761 O\n",
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{
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"structure_string": "Os2\n1.0\n1.384088 -2.397311 0.000000\n1.384088 2.397311 0.000000\n0.000000 0.000000 4.367962\nOs\n2\ndirect\n0.666668 0.333334 0.750000 Os\n0.333334 0.666668 0.250000 Os\n",
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{
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"updated_at": "2022-09-04T14:37:19.130197Z",
"structure_string": "Mg2 Si2 Ni2 O10\n1.0\n4.978610 -0.295159 0.155775\n-1.553098 5.162724 -0.038385\n-1.386975 -2.292177 6.116210\nMg Si Ni O\n2 2 2 10\ndirect\n0.869583 0.720546 0.246794 Mg\n0.136159 0.284098 0.739040 Mg\n0.196966 0.322670 0.236452 Si\n0.808776 0.681979 0.749395 Si\n0.502874 0.002325 0.492926 Ni\n0.502875 0.002330 0.992926 Ni\n0.490473 0.355341 0.142907 O\n0.202439 0.140389 0.401284 O\n0.515269 0.649310 0.842938 O\n0.803304 0.864261 0.584560 O\n0.802438 0.373114 0.615706 O\n0.092128 0.793900 0.970175 O\n0.203305 0.631538 0.370138 O\n0.913614 0.210743 0.015670 O\n0.374609 0.050729 0.740170 O\n0.631140 0.953925 0.245679 O\n",
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{
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"created_at": "2022-09-04T14:36:17.890047Z",
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"structure_string": "Cu4 Sb4 Pb4 S12\n1.0\n7.876434 0.000022 0.000043\n0.000032 8.215228 0.000077\n-0.000016 -0.000070 8.761485\nCu Sb Pb S\n4 4 4 12\ndirect\n0.242832 0.277932 0.428813 Cu\n0.742835 0.722069 0.928809 Cu\n0.757166 0.277930 0.428803 Cu\n0.257173 0.722069 0.928813 Cu\n0.499994 0.073093 0.054332 Sb\n-0.000000 0.926906 0.554335 Sb\n0.500004 0.490272 0.664169 Sb\n0.000000 0.509727 0.164169 Sb\n0.499998 0.559320 0.184661 Pb\n0.000000 0.440680 0.684662 Pb\n0.499999 0.926649 0.502453 Pb\n0.999992 0.073353 0.002452 Pb\n0.499998 0.232487 0.298277 S\n0.000003 0.767513 0.798281 S\n0.000003 0.238187 0.288172 S\n0.265185 0.564852 0.484476 S\n0.500002 0.761812 0.788173 S\n0.234815 0.435147 0.984470 S\n0.763232 0.108139 0.644183 S\n0.734818 0.564852 0.484470 S\n0.236762 0.108138 0.644188 S\n0.765182 0.435146 0.984475 S\n0.263230 0.891864 0.144186 S\n0.736759 0.891861 0.144185 S\n",
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{
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"structure_string": "Er4 Ga20 Os6\n1.0\n6.369789 -0.000000 -0.000000\n0.000000 8.903410 -0.000000\n0.000000 -0.000000 8.903410\nEr Ga Os\n4 20 6\ndirect\n0.000000 0.182735 0.682735 Er\n0.000000 0.817265 0.317265 Er\n0.000000 0.682735 0.817265 Er\n0.000000 0.317265 0.182735 Er\n0.719289 0.000000 0.500000 Ga\n0.292253 0.292837 0.438571 Ga\n0.292253 0.707163 0.561429 Ga\n0.280712 0.500000 0.000000 Ga\n0.719289 0.500000 0.000000 Ga\n0.292253 0.061429 0.207163 Ga\n0.707747 0.938571 0.792837 Ga\n0.707747 0.061429 0.207163 Ga\n0.707747 0.792837 0.061429 Ga\n0.707747 0.292837 0.438571 Ga\n0.292253 0.792837 0.061429 Ga\n0.292253 0.561429 0.292837 Ga\n0.707747 0.207163 0.938571 Ga\n0.292253 0.938571 0.792837 Ga\n0.707747 0.561429 0.292837 Ga\n0.707747 0.707163 0.561429 Ga\n0.280712 0.000000 0.500000 Ga\n0.292253 0.438571 0.707163 Ga\n0.292253 0.207163 0.938571 Ga\n0.707747 0.438571 0.707163 Ga\n0.500000 0.821423 0.321423 Os\n0.500000 0.178578 0.678577 Os\n0.500000 0.678577 0.821423 Os\n0.500000 0.321423 0.178578 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n",
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"elements": [
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],
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"formula_full": "Er4 Ga20 Os6",
"formula_reduced": "Er2Ga10Os3",
"formula_anonymous": "A2B3C10",
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{
"id": "jvasp-95176",
"created_at": "2022-09-04T14:36:02.963290Z",
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"structure_string": "Tm4 Ga20 Os6\n1.0\n6.343795 0.000000 -0.000000\n-0.000000 8.902922 0.000000\n0.000000 0.000000 8.902922\nTm Ga Os\n4 20 6\ndirect\n0.000000 0.317009 0.182991 Tm\n0.000000 0.182991 0.682991 Tm\n0.000000 0.682991 0.817009 Tm\n0.000000 0.817009 0.317009 Tm\n0.291744 0.561473 0.292627 Ga\n0.291744 0.292627 0.438527 Ga\n0.708256 0.938527 0.792627 Ga\n0.708256 0.292627 0.438527 Ga\n0.291744 0.938527 0.792627 Ga\n0.708256 0.707373 0.561473 Ga\n0.291744 0.207373 0.938527 Ga\n0.291744 0.707373 0.561473 Ga\n0.291744 0.438527 0.707373 Ga\n0.708256 0.207373 0.938527 Ga\n0.708256 0.438527 0.707373 Ga\n0.291744 0.792627 0.061473 Ga\n0.291744 0.061473 0.207373 Ga\n0.708256 0.792627 0.061473 Ga\n0.721167 0.500000 0.000000 Ga\n0.278833 0.500000 0.000000 Ga\n0.708256 0.561473 0.292627 Ga\n0.721167 0.000000 0.500000 Ga\n0.278833 0.000000 0.500000 Ga\n0.708256 0.061473 0.207373 Ga\n0.500000 0.178403 0.678403 Os\n0.500000 0.321597 0.178403 Os\n0.500000 0.821597 0.321597 Os\n0.500000 0.678403 0.821597 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n",
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"formula_full": "Tm4 Ga20 Os6",
"formula_reduced": "Tm2Ga10Os3",
"formula_anonymous": "A2B3C10",
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{
"id": "jvasp-95175",
"created_at": "2022-09-04T14:35:56.552594Z",
"updated_at": "2022-09-04T14:35:56.552615Z",
"structure_string": "K4 N4 O4 F8\n1.0\n6.302075 0.000000 0.000000\n0.000000 6.890843 0.000000\n0.000000 0.000000 7.227023\nK N O F\n4 4 4 8\ndirect\n0.750001 0.885230 0.617170 K\n0.750001 0.385230 0.882829 K\n0.250000 0.614770 0.117171 K\n0.250000 0.114770 0.382829 K\n0.250000 0.019857 0.795351 N\n0.750001 0.980143 0.204648 N\n0.250000 0.519857 0.704648 N\n0.750001 0.480143 0.295352 N\n0.250000 0.050671 0.949431 O\n0.750001 0.949329 0.050569 O\n0.750001 0.449329 0.449431 O\n0.250000 0.550671 0.550568 O\n0.481253 0.672085 0.812030 F\n0.981254 0.327914 0.187970 F\n0.018747 0.672085 0.812030 F\n0.981254 0.827914 0.312030 F\n0.481253 0.172086 0.687970 F\n0.518747 0.827914 0.312030 F\n0.018747 0.172086 0.687970 F\n0.518747 0.327914 0.187970 F\n",
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}
]
}