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{
"id": "jvasp-9519",
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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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"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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{
"id": "jvasp-9520",
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"updated_at": "2022-09-04T14:37:11.090811Z",
"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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"spacegroup": 2
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{
"id": "jvasp-95201",
"created_at": "2022-09-04T14:35:42.206070Z",
"updated_at": "2022-09-04T14:35:42.206099Z",
"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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{
"id": "jvasp-95206",
"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-95207",
"created_at": "2022-09-04T14:35:52.927450Z",
"updated_at": "2022-09-04T14:35:52.927466Z",
"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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{
"id": "jvasp-95208",
"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-95209",
"created_at": "2022-09-04T14:35:59.483640Z",
"updated_at": "2022-09-04T14:35:59.483667Z",
"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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{
"id": "jvasp-9521",
"created_at": "2022-09-04T14:37:19.311930Z",
"updated_at": "2022-09-04T14:37:19.311958Z",
"structure_string": "Ca2 Cr2 F8\n1.0\n-5.461996 0.001524 -0.000870\n-0.001603 -5.461992 -0.003195\n2.730863 2.726823 5.311070\nCa Cr F\n2 2 8\ndirect\n0.250822 0.250131 0.500857 Ca\n0.750819 0.750137 0.500865 Ca\n0.500850 0.000149 0.000884 Cr\n0.000788 0.500137 0.000834 Cr\n0.448165 0.313402 0.261441 F\n0.187597 0.052762 0.740270 F\n0.553541 0.686880 0.740351 F\n0.053450 0.552757 0.740231 F\n0.814091 0.947521 0.261493 F\n0.314040 0.813374 0.261394 F\n0.948117 0.447459 0.261406 F\n0.687579 0.186863 0.740282 F\n",
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{
"id": "jvasp-95211",
"created_at": "2022-09-04T14:36:03.374681Z",
"updated_at": "2022-09-04T14:36:03.374700Z",
"structure_string": "Na2 Si6 B2 O16\n1.0\n3.067611 6.200755 -2.105627\n-3.942834 6.223025 1.386608\n0.016000 0.001510 6.864900\nNa Si B O\n2 6 2 16\ndirect\n0.737232 0.246647 0.868413 Na\n0.262770 0.753353 0.131587 Na\n0.184277 0.195467 0.791176 Si\n0.815725 0.804533 0.208824 Si\n0.199973 0.599763 0.680339 Si\n0.800028 0.400237 0.319661 Si\n0.457038 0.816218 0.646130 Si\n0.542963 0.183782 0.353871 Si\n0.170847 0.147577 0.221709 B\n0.829154 0.852423 0.778291 B\n0.312308 0.925711 0.382550 O\n0.687694 0.074289 0.617451 O\n0.706877 0.652438 0.203112 O\n0.293124 0.347562 0.796888 O\n0.274462 0.271804 0.272152 O\n0.725540 0.728197 0.727848 O\n0.648968 0.021152 0.233487 O\n0.434475 0.605665 0.724647 O\n0.940151 0.248176 0.212926 O\n0.059850 0.751824 0.787074 O\n0.565526 0.394335 0.275353 O\n0.936505 0.326214 0.582773 O\n0.142264 0.127900 0.004424 O\n0.857738 0.872100 0.995576 O\n0.351033 0.978848 0.766513 O\n0.063496 0.673786 0.417227 O\n",
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