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{
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"results": [
{
"id": "jvasp-63666",
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"structure_string": "Al10 B2 O18\n1.0\n2.864008 -7.559558 0.000000\n2.864008 7.559558 0.000000\n0.000000 0.000000 7.761017\nAl B O\n10 2 18\ndirect\n0.367489 0.135896 0.668038 Al\n0.297060 0.702940 0.833906 Al\n0.556139 0.443862 0.983703 Al\n0.443862 0.556139 0.483702 Al\n0.744725 0.255275 0.981800 Al\n0.702940 0.297060 0.333905 Al\n0.864105 0.632512 0.668038 Al\n0.135896 0.367489 0.168038 Al\n0.632512 0.864105 0.168038 Al\n0.255275 0.744725 0.481800 Al\n0.015522 0.984479 0.946109 B\n0.984479 0.015522 0.446109 B\n0.953965 0.046035 0.074679 O\n0.742269 0.837808 0.381797 O\n0.257731 0.162193 0.881797 O\n0.808990 0.191010 0.232389 O\n0.191010 0.808990 0.732389 O\n0.648139 0.351862 0.129712 O\n0.351862 0.648139 0.629712 O\n0.046035 0.953965 0.574680 O\n0.446681 0.067184 0.467291 O\n0.454536 0.545465 0.095750 O\n0.932817 0.553320 0.467291 O\n0.067184 0.446681 0.967291 O\n0.553320 0.932817 0.967291 O\n0.162193 0.257731 0.381797 O\n0.669568 0.330433 0.798701 O\n0.330433 0.669568 0.298701 O\n0.545465 0.454536 0.595751 O\n0.837808 0.742269 0.881797 O\n",
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{
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"structure_string": "Rb4 Sn2 O6\n1.0\n5.347400 3.739597 0.000000\n-5.347400 3.739597 0.000000\n0.000000 0.000000 5.827336\nRb Sn O\n4 2 6\ndirect\n0.482856 0.804738 0.247965 Rb\n0.195263 0.517145 0.747966 Rb\n0.517145 0.195263 0.747966 Rb\n0.804738 0.482856 0.247965 Rb\n0.912056 0.912056 0.739546 Sn\n0.087945 0.087945 0.239546 Sn\n0.133505 0.879605 0.492937 O\n0.120396 0.866496 0.992937 O\n0.651018 0.651018 0.718649 O\n0.348983 0.348983 0.218648 O\n0.866496 0.120396 0.992937 O\n0.879605 0.133505 0.492937 O\n",
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"volume": 233.0598861736717,
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"formula_full": "Rb4 Sn2 O6",
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},
{
"id": "jvasp-91341",
"created_at": "2022-09-04T14:35:56.573502Z",
"updated_at": "2022-09-04T14:35:56.573517Z",
"structure_string": "Ba2 P20\n1.0\n6.522011 0.000000 0.000000\n-3.261006 6.348253 0.000000\n0.000000 0.000000 12.064909\nBa P\n2 20\ndirect\n0.186001 0.372004 0.002050 Ba\n0.813998 0.627996 0.502050 Ba\n0.227103 0.957181 0.318058 P\n0.772896 0.042819 0.818058 P\n0.615743 0.741778 0.167804 P\n0.384256 0.258221 0.667804 P\n0.126034 0.741778 0.167804 P\n0.873965 0.258221 0.667804 P\n0.445941 0.891883 0.065092 P\n0.554058 0.108117 0.565092 P\n0.094258 0.188516 0.276532 P\n0.730076 0.957181 0.318058 P\n0.804134 0.608270 0.926449 P\n0.596056 0.192113 0.284960 P\n0.403943 0.807887 0.784960 P\n0.928490 0.856980 0.057728 P\n0.071509 0.143020 0.557728 P\n0.612664 0.225329 0.104865 P\n0.387335 0.774671 0.604865 P\n0.269923 0.042819 0.818058 P\n0.195865 0.391730 0.426449 P\n0.905741 0.811483 0.776532 P\n",
"nsites": 22,
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"elements": [
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{
"id": "jvasp-61027",
"created_at": "2022-09-04T14:35:58.992358Z",
"updated_at": "2022-09-04T14:35:58.992367Z",
"structure_string": "Al10 B2 O18\n1.0\n2.863956 -7.559656 0.000000\n2.863956 7.559656 0.000000\n0.000000 0.000000 7.760958\nAl B O\n10 2 18\ndirect\n0.632508 0.864105 0.666988 Al\n0.702942 0.297060 0.832840 Al\n0.443863 0.556139 0.982672 Al\n0.556139 0.443863 0.482672 Al\n0.255269 0.744733 0.980718 Al\n0.297060 0.702942 0.332840 Al\n0.135897 0.367494 0.666988 Al\n0.864105 0.632508 0.166988 Al\n0.367494 0.135897 0.166988 Al\n0.744733 0.255269 0.480718 Al\n0.984470 0.015532 0.945073 B\n0.015532 0.984470 0.445073 B\n0.046032 0.953970 0.073634 O\n0.257747 0.162186 0.380762 O\n0.742255 0.837816 0.880762 O\n0.191008 0.808993 0.231335 O\n0.808993 0.191008 0.731336 O\n0.351852 0.648150 0.128639 O\n0.648150 0.351852 0.628639 O\n0.953970 0.046032 0.573634 O\n0.553332 0.932810 0.466222 O\n0.545458 0.454543 0.094726 O\n0.067192 0.446669 0.466222 O\n0.932810 0.553332 0.966222 O\n0.446669 0.067192 0.966222 O\n0.837816 0.742255 0.380762 O\n0.330417 0.669584 0.797616 O\n0.669584 0.330417 0.297616 O\n0.454543 0.545458 0.594727 O\n0.162186 0.257747 0.880762 O\n",
"nsites": 30,
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],
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{
"id": "jvasp-86255",
"created_at": "2022-09-04T14:35:59.124072Z",
"updated_at": "2022-09-04T14:35:59.124100Z",
"structure_string": "Bi8 Pd8\n1.0\n5.746225 0.027192 -0.000000\n-1.050068 5.649532 -0.000000\n0.000000 0.000000 10.837616\nBi Pd\n8 8\ndirect\n0.849385 0.394490 0.279321 Bi\n0.122406 0.122406 0.993467 Bi\n0.394490 0.849385 0.279321 Bi\n0.605510 0.150615 0.779321 Bi\n0.365424 0.365423 0.497509 Bi\n0.634577 0.634576 0.997509 Bi\n0.150615 0.605510 0.779321 Bi\n0.877594 0.877594 0.493467 Bi\n0.087414 0.087414 0.722306 Pd\n0.327573 0.327573 0.228787 Pd\n0.623726 0.132769 0.055645 Pd\n0.672427 0.672426 0.728787 Pd\n0.867231 0.376274 0.555645 Pd\n0.376274 0.867230 0.555645 Pd\n0.132769 0.623726 0.055645 Pd\n0.912586 0.912585 0.222306 Pd\n",
"nsites": 16,
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"elements": [
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],
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"density": 11.898457033625409,
"density_atomic": 0.04543696400389246,
"volume": 352.13620343624467,
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"formula_full": "Bi8 Pd8",
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},
{
"id": "jvasp-85961",
"created_at": "2022-09-04T14:35:59.257204Z",
"updated_at": "2022-09-04T14:35:59.257228Z",
"structure_string": "Mn2 Cl2 O6\n1.0\n4.903660 -0.000035 0.000016\n-0.000116 5.716492 -2.131794\n0.000079 -0.124099 6.099595\nMn Cl O\n2 2 6\ndirect\n0.407553 0.672654 0.327356 Mn\n0.907556 0.327342 0.672646 Mn\n0.282788 0.870893 0.129134 Cl\n0.782776 0.129105 0.870881 Cl\n0.291645 0.793638 0.587877 O\n0.291649 0.412138 0.206341 O\n0.791655 0.206356 0.412123 O\n0.732158 0.670122 0.329893 O\n0.791661 0.587859 0.793660 O\n0.232160 0.329884 0.670097 O\n",
"nsites": 10,
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"elements": [
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],
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"density": 2.7085579794635803,
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"volume": 169.68493896910405,
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"formula_full": "Mn2 Cl2 O6",
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"spacegroup": 36
},
{
"id": "jvasp-42605",
"created_at": "2022-09-04T14:35:59.577957Z",
"updated_at": "2022-09-04T14:35:59.577985Z",
"structure_string": "Li8 Co2 O6 F2\n1.0\n3.880402 3.607246 0.000000\n-3.880402 3.607246 0.000000\n0.000000 0.000000 6.655405\nLi Co O F\n8 2 6 2\ndirect\n0.164579 0.839657 0.495613 Li\n0.160344 0.835422 0.995613 Li\n0.584908 0.894983 0.240386 Li\n0.105018 0.415093 0.740386 Li\n0.415093 0.105018 0.740386 Li\n0.894983 0.584908 0.240386 Li\n0.835422 0.160344 0.995613 Li\n0.839657 0.164579 0.495613 Li\n0.381946 0.381946 0.320260 Co\n0.618055 0.618055 0.820260 Co\n0.267312 0.680548 0.248089 O\n0.319453 0.732689 0.748089 O\n0.791927 0.791927 0.012666 O\n0.208074 0.208074 0.512667 O\n0.732689 0.319453 0.748089 O\n0.680548 0.267312 0.248089 O\n0.189306 0.189306 0.948900 F\n0.810695 0.810695 0.448899 F\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.7395452101850695,
"density_atomic": 0.09660854481919912,
"volume": 186.31892275871277,
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"formula_full": "Li8 Co2 O6 F2",
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{
"id": "jvasp-52354",
"created_at": "2022-09-04T14:36:00.309506Z",
"updated_at": "2022-09-04T14:36:00.309534Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n6.071290 -0.000000 0.000000\n-3.035644 10.861083 -0.000000\n-0.000000 -0.000000 8.071106\nBa Ca I\n2 2 8\ndirect\n0.167844 0.335689 0.918782 Ba\n0.832157 0.664311 0.418782 Ba\n0.409110 0.818217 0.002443 Ca\n0.590891 0.181783 0.502443 Ca\n0.098770 0.197539 0.514457 I\n0.459284 0.918566 0.365449 I\n0.324856 0.649710 0.695477 I\n0.287405 0.574809 0.213100 I\n0.901230 0.802461 0.014456 I\n0.712595 0.425191 0.713101 I\n0.540716 0.081434 0.865450 I\n0.675145 0.350289 0.195477 I\n",
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],
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{
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"created_at": "2022-09-04T14:36:03.042642Z",
"updated_at": "2022-09-04T14:36:03.042662Z",
"structure_string": "Os4 N4\n1.0\n-2.777957 0.000000 0.000000\n0.000000 0.000000 -4.847492\n1.388979 -6.351939 0.000000\nOs N\n4 4\ndirect\n0.463016 0.675665 0.926031 Os\n0.536985 0.175665 0.073969 Os\n0.154669 0.577238 0.309338 Os\n0.845331 0.077238 0.690662 Os\n0.861547 0.504166 0.723093 N\n0.138453 0.004166 0.276907 N\n0.770849 0.672930 0.541697 N\n0.229151 0.172930 0.458303 N\n",
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},
{
"id": "jvasp-43790",
"created_at": "2022-09-04T14:36:03.187958Z",
"updated_at": "2022-09-04T14:36:03.187975Z",
"structure_string": "Li2 Fe2 F6\n1.0\n-2.887047 0.000311 -0.001130\n-0.000243 -4.945910 0.004523\n1.441050 0.006884 7.519597\nLi Fe F\n2 2 6\ndirect\n0.481477 0.004972 0.454319 Li\n0.525483 0.504980 0.545335 Li\n0.836202 0.477254 0.165130 Fe\n0.170797 0.977264 0.834535 Fe\n0.728829 0.726472 0.950605 F\n0.278134 0.226469 0.049059 F\n0.951480 0.252135 0.394798 F\n0.055550 0.752126 0.604883 F\n0.605054 0.207679 0.702975 F\n0.401998 0.707686 0.296683 F\n",
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"formula_full": "Li2 Fe2 F6",
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},
{
"id": "jvasp-97332",
"created_at": "2022-09-04T14:36:05.007558Z",
"updated_at": "2022-09-04T14:36:05.007584Z",
"structure_string": "Si12 O24\n1.0\n4.984739 -0.000000 0.000000\n0.000000 10.857892 -2.502827\n-0.000000 0.030723 11.142577\nSi O\n12 24\ndirect\n0.376485 0.380376 0.619624 Si\n0.514538 0.993758 0.416446 Si\n0.014538 0.006241 0.583554 Si\n0.014538 0.416446 0.993758 Si\n0.907512 0.755599 0.659518 Si\n0.514538 0.583554 0.006241 Si\n0.907512 0.340481 0.244401 Si\n0.407512 0.659518 0.755599 Si\n0.375194 0.723214 0.276786 Si\n0.875194 0.276786 0.723214 Si\n0.407512 0.244401 0.340482 Si\n0.876486 0.619624 0.380376 Si\n0.098343 0.706215 0.757000 O\n0.432176 0.681281 0.130740 O\n0.932176 0.318718 0.869260 O\n0.598344 0.757000 0.706215 O\n0.098343 0.243000 0.293784 O\n0.598344 0.293784 0.243000 O\n0.495263 0.106406 0.347038 O\n0.820493 0.537179 0.018726 O\n0.995263 0.893593 0.652962 O\n0.495263 0.652962 0.893593 O\n0.995263 0.347038 0.106406 O\n0.941568 0.662068 0.525914 O\n0.441568 0.337931 0.474086 O\n0.941568 0.474086 0.337932 O\n0.320493 0.018726 0.537179 O\n0.441568 0.525914 0.662068 O\n0.562795 0.303557 0.696443 O\n0.432176 0.869260 0.318718 O\n0.932176 0.130740 0.681282 O\n0.062942 0.353739 0.646261 O\n0.562942 0.646261 0.353739 O\n0.320493 0.462821 0.981274 O\n0.062795 0.696442 0.303557 O\n0.820493 0.981273 0.462821 O\n",
"nsites": 36,
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{
"id": "jvasp-97422",
"created_at": "2022-09-04T14:36:08.780748Z",
"updated_at": "2022-09-04T14:36:08.780758Z",
"structure_string": "Si12 O24\n1.0\n5.007229 0.000000 0.000000\n-0.000000 10.892798 -2.390986\n0.000000 0.133602 11.151324\nSi O\n12 24\ndirect\n0.230471 0.994342 0.417524 Si\n0.148233 0.380311 0.619689 Si\n0.230471 0.582475 0.005658 Si\n0.229477 0.246171 0.343213 Si\n0.648233 0.619689 0.380310 Si\n0.648090 0.275176 0.724823 Si\n0.730471 0.417525 0.994341 Si\n0.729477 0.753829 0.656786 Si\n0.729477 0.343213 0.246170 Si\n0.730471 0.005658 0.582475 Si\n0.148090 0.724824 0.275176 Si\n0.229477 0.656787 0.753829 Si\n0.033435 0.292580 0.245743 O\n0.036745 0.988046 0.533408 O\n0.033435 0.754257 0.707420 O\n0.205526 0.870178 0.314265 O\n0.146900 0.108854 0.356195 O\n0.533436 0.707420 0.754257 O\n0.536745 0.011954 0.466591 O\n0.646900 0.891146 0.643804 O\n0.837836 0.696444 0.303556 O\n0.206489 0.340332 0.474564 O\n0.837756 0.351980 0.648019 O\n0.706489 0.474564 0.340331 O\n0.337756 0.648020 0.351980 O\n0.706489 0.659668 0.525436 O\n0.646900 0.356195 0.108854 O\n0.146900 0.643805 0.891146 O\n0.533436 0.245743 0.292580 O\n0.337836 0.303556 0.696443 O\n0.206489 0.525436 0.659668 O\n0.705526 0.314265 0.870178 O\n0.036745 0.466591 0.011954 O\n0.705526 0.129822 0.685735 O\n0.536745 0.533408 0.988045 O\n0.205526 0.685735 0.129822 O\n",
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"spacegroup": 36
}
]
}