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{
"count": 55712,
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{
"id": "jvasp-97880",
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"updated_at": "2022-09-04T14:35:42.993184Z",
"structure_string": "Ca12 Te12 O36\n1.0\n5.725459 0.000000 0.000000\n0.000000 8.293594 -0.070276\n0.000000 0.156966 21.106276\nCa Te O\n12 12 36\ndirect\n0.227938 0.960772 0.941658 Ca\n0.166902 0.073031 0.777330 Ca\n0.647913 0.811071 0.817546 Ca\n0.147913 0.688929 0.682454 Ca\n0.666902 0.426969 0.722670 Ca\n0.833098 0.926969 0.222670 Ca\n0.727938 0.539228 0.558342 Ca\n0.333098 0.573031 0.277330 Ca\n0.272062 0.460772 0.441658 Ca\n0.852087 0.311071 0.317546 Ca\n0.772062 0.039228 0.058342 Ca\n0.352087 0.188929 0.182454 Ca\n0.758547 0.164765 0.490481 Te\n0.258547 0.335235 0.009519 Te\n0.730133 0.205716 0.877567 Te\n0.150722 0.569733 0.837181 Te\n0.230133 0.294284 0.622433 Te\n0.349278 0.069733 0.337181 Te\n0.849278 0.430267 0.162819 Te\n0.650722 0.930267 0.662819 Te\n0.241453 0.835235 0.509519 Te\n0.769868 0.705716 0.377566 Te\n0.741454 0.664765 0.990481 Te\n0.269867 0.794284 0.122433 Te\n0.356857 0.226633 0.701811 O\n0.507681 0.304576 0.510373 O\n0.856857 0.273367 0.798189 O\n0.577956 0.126116 0.275299 O\n0.596535 0.510603 0.374216 O\n0.903465 0.010604 0.874216 O\n0.096535 0.989396 0.125784 O\n0.946804 0.402484 0.645052 O\n0.053197 0.597516 0.354948 O\n0.234291 0.362427 0.097755 O\n0.422044 0.873884 0.724701 O\n0.992319 0.804575 0.010373 O\n0.242099 0.278226 0.360060 O\n0.980169 0.330803 0.499350 O\n0.922044 0.626116 0.775299 O\n0.112236 0.053356 0.275051 O\n0.403465 0.489397 0.625784 O\n0.765710 0.637573 0.902245 O\n0.734291 0.137573 0.402245 O\n0.492319 0.695424 0.489627 O\n0.446803 0.097517 0.854948 O\n0.143143 0.726633 0.201811 O\n0.887765 0.946644 0.724949 O\n0.612236 0.446644 0.224949 O\n0.553197 0.902483 0.145052 O\n0.757901 0.721774 0.639940 O\n0.480169 0.169197 0.000650 O\n0.519831 0.830803 0.999350 O\n0.019831 0.669197 0.500650 O\n0.077956 0.373884 0.224701 O\n0.257901 0.778226 0.860060 O\n0.742100 0.221774 0.139940 O\n0.387765 0.553356 0.775051 O\n0.643143 0.773367 0.298189 O\n0.265710 0.862427 0.597755 O\n0.007681 0.195425 0.989627 O\n",
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"formula_full": "Ca12 Te12 O36",
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},
{
"id": "jvasp-97427",
"created_at": "2022-09-04T14:35:40.820307Z",
"updated_at": "2022-09-04T14:35:40.820332Z",
"structure_string": "K20 Li4 Ge8 O28\n1.0\n6.243568 0.018221 0.000000\n-2.705697 9.967396 0.000000\n0.000000 0.000000 15.875680\nK Li Ge O\n20 4 8 28\ndirect\n0.829648 0.582122 0.433126 K\n0.170662 0.388567 0.155473 K\n0.495714 0.264159 0.870436 K\n0.788818 0.090304 0.165600 K\n0.995714 0.764159 0.629564 K\n0.829338 0.611434 0.844527 K\n0.504286 0.735842 0.129564 K\n0.329338 0.111434 0.655473 K\n0.820845 0.078700 0.556827 K\n0.670662 0.888567 0.344527 K\n0.004286 0.235841 0.370436 K\n0.320844 0.578701 0.943173 K\n0.288818 0.590304 0.334400 K\n0.711182 0.409696 0.665600 K\n0.329648 0.082122 0.066874 K\n0.179155 0.921300 0.443173 K\n0.211181 0.909696 0.834400 K\n0.679156 0.421300 0.056827 K\n0.670352 0.917878 0.933126 K\n0.170352 0.417878 0.566874 K\n0.399964 0.104867 0.279609 Li\n0.100036 0.395133 0.779609 Li\n0.899964 0.604867 0.220391 Li\n0.600036 0.895133 0.720391 Li\n0.616318 0.388724 0.265658 Ge\n0.383682 0.611276 0.734342 Ge\n0.508720 0.244610 0.446793 Ge\n0.116318 0.888724 0.234342 Ge\n0.883682 0.111276 0.765658 Ge\n0.491280 0.755390 0.553207 Ge\n0.008719 0.744610 0.053207 Ge\n0.991281 0.255390 0.946793 Ge\n0.438338 0.889646 0.612689 O\n0.561662 0.110355 0.387311 O\n0.593345 0.070474 0.783183 O\n0.739432 0.325830 0.509126 O\n0.239432 0.825831 0.990874 O\n0.464703 0.370984 0.367691 O\n0.435332 0.466210 0.782053 O\n0.760568 0.174170 0.009126 O\n0.490104 0.752195 0.798534 O\n0.035297 0.129016 0.867691 O\n0.964703 0.870984 0.132309 O\n0.245493 0.307232 0.002288 O\n0.938338 0.389645 0.887311 O\n0.406655 0.929526 0.216817 O\n0.564668 0.533790 0.217947 O\n0.745493 0.807232 0.497712 O\n0.254507 0.192768 0.502288 O\n0.509896 0.247805 0.201466 O\n0.009895 0.747805 0.298534 O\n0.906655 0.429526 0.283183 O\n0.093345 0.570474 0.716817 O\n0.935331 0.966210 0.717947 O\n0.990104 0.252195 0.701466 O\n0.061662 0.610355 0.112689 O\n0.754507 0.692768 0.997712 O\n0.064668 0.033790 0.282053 O\n0.535297 0.629016 0.632309 O\n0.260568 0.674170 0.490874 O\n",
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"O"
],
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"volume": 988.7598178840399,
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"formula_reduced": "K5LiGe2O7",
"formula_anonymous": "AB2C5D7",
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{
"id": "jvasp-95243",
"created_at": "2022-09-04T14:35:45.080282Z",
"updated_at": "2022-09-04T14:35:45.080293Z",
"structure_string": "Na4 B12 H16 O28\n1.0\n8.887491 4.942383 -2.254594\n-8.887491 4.942383 2.254594\n-0.001273 0.000000 6.230245\nNa B H O\n4 12 16 28\ndirect\n0.936694 0.590982 0.599550 Na\n0.590982 0.936693 0.900449 Na\n0.063306 0.409017 0.400449 Na\n0.409017 0.063306 0.099550 Na\n0.675667 0.717187 0.484263 B\n0.717187 0.675667 0.015736 B\n0.324333 0.282812 0.515736 B\n0.282812 0.324332 0.984263 B\n0.995444 0.802343 0.002058 B\n0.802343 0.995444 0.497942 B\n0.004555 0.197656 0.997941 B\n0.510546 0.829398 0.445100 B\n0.829398 0.510546 0.054899 B\n0.489453 0.170601 0.554899 B\n0.170601 0.489453 0.945100 B\n0.197656 0.004555 0.502058 B\n0.634017 0.130840 0.447384 H\n0.031019 0.131608 0.526507 H\n0.131608 0.031019 0.973492 H\n0.868391 0.968980 0.026508 H\n0.365982 0.869159 0.552616 H\n0.869159 0.365982 0.947383 H\n0.130840 0.634017 0.052616 H\n0.968981 0.868391 0.473492 H\n0.757873 0.364985 0.334873 H\n0.635015 0.242126 0.834873 H\n0.242127 0.635014 0.665126 H\n0.614507 0.492338 0.501819 H\n0.492338 0.614506 0.998180 H\n0.385493 0.507661 0.498180 H\n0.507662 0.385493 0.001820 H\n0.364985 0.757873 0.165126 H\n0.936707 0.136246 0.519839 O\n0.132919 0.190669 0.982288 O\n0.190669 0.132919 0.517711 O\n0.867080 0.809330 0.017712 O\n0.809330 0.867080 0.482288 O\n0.975784 0.662843 0.998568 O\n0.337156 0.024216 0.498568 O\n0.136246 0.936706 0.980160 O\n0.662843 0.975784 0.501432 O\n0.303994 0.465115 0.985214 O\n0.465116 0.303994 0.514785 O\n0.024216 0.337156 0.001432 O\n0.063293 0.863753 0.480161 O\n0.595614 0.202656 0.402526 O\n0.404386 0.797343 0.597474 O\n0.797343 0.404386 0.902525 O\n0.202656 0.595613 0.097474 O\n0.458267 0.857425 0.213296 O\n0.857425 0.458267 0.286704 O\n0.541733 0.142574 0.786704 O\n0.142574 0.541732 0.713295 O\n0.704054 0.602464 0.494511 O\n0.602464 0.704054 0.005489 O\n0.295945 0.397535 0.505489 O\n0.397536 0.295945 0.994510 O\n0.696006 0.534884 0.014785 O\n0.863753 0.063293 0.019839 O\n0.534884 0.696006 0.485215 O\n",
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],
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"volume": 547.3034432005633,
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"formula_full": "Na4 B12 H16 O28",
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},
{
"id": "jvasp-97313",
"created_at": "2022-09-04T14:35:45.109304Z",
"updated_at": "2022-09-04T14:35:45.109319Z",
"structure_string": "Y16 Al4 Si4 N4 O32\n1.0\n7.186791 0.000000 -2.505644\n0.000000 10.433638 0.000000\n-0.050460 0.000000 10.894393\nY Al Si N O\n16 4 4 4 32\ndirect\n0.824714 0.381094 0.929269 Y\n0.019103 0.400433 0.280473 Y\n0.980897 0.900433 0.219528 Y\n0.980897 0.599567 0.719528 Y\n0.019103 0.099567 0.780472 Y\n0.531509 0.409256 0.309256 Y\n0.468491 0.590745 0.690744 Y\n0.531509 0.090745 0.809256 Y\n0.468491 0.909256 0.190744 Y\n0.655085 0.627426 0.080517 Y\n0.655085 0.872574 0.580517 Y\n0.344915 0.372574 0.919483 Y\n0.824714 0.118906 0.429269 Y\n0.175285 0.618906 0.070731 Y\n0.175285 0.881094 0.570731 Y\n0.344915 0.127426 0.419483 Y\n0.737890 0.313762 0.631416 Al\n0.262110 0.813762 0.868584 Al\n0.262110 0.686238 0.368584 Al\n0.737890 0.186238 0.131416 Al\n0.156431 0.182621 0.113517 Si\n0.843569 0.682621 0.386483 Si\n0.843569 0.817379 0.886483 Si\n0.156431 0.317379 0.613517 Si\n0.952715 0.255126 0.612475 N\n0.047285 0.755126 0.887525 N\n0.047285 0.744874 0.387525 N\n0.952715 0.244874 0.112475 N\n0.421104 0.767964 0.019917 O\n0.421104 0.732036 0.519917 O\n0.578896 0.232036 0.980083 O\n0.180413 0.295745 0.470062 O\n0.819587 0.795745 0.029938 O\n0.819587 0.704255 0.529938 O\n0.566534 0.506007 0.893239 O\n0.433466 0.006007 0.606761 O\n0.578896 0.267964 0.480083 O\n0.566534 0.993994 0.393239 O\n0.433466 0.493993 0.106761 O\n0.924387 0.975797 0.601473 O\n0.075613 0.475797 0.898527 O\n0.180413 0.204255 0.970062 O\n0.315307 0.258664 0.234611 O\n0.282370 0.973495 0.821740 O\n0.684693 0.741337 0.765389 O\n0.315307 0.241336 0.734611 O\n0.747203 0.277067 0.272778 O\n0.252797 0.777067 0.227222 O\n0.252797 0.722933 0.727222 O\n0.747203 0.222933 0.772778 O\n0.194245 0.029911 0.160724 O\n0.805754 0.529911 0.339276 O\n0.805754 0.970089 0.839276 O\n0.194245 0.470089 0.660724 O\n0.717629 0.026505 0.178260 O\n0.282370 0.526505 0.321740 O\n0.075613 0.024203 0.398527 O\n0.717629 0.473495 0.678260 O\n0.684693 0.758664 0.265389 O\n0.924387 0.524203 0.101473 O\n",
"nsites": 60,
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"elements": [
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],
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"density": 4.501120058534533,
"density_atomic": 0.07356636781373808,
"volume": 815.5900825756869,
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"formula_full": "Y16 Al4 Si4 N4 O32",
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},
{
"id": "jvasp-97564",
"created_at": "2022-09-04T14:35:41.865488Z",
"updated_at": "2022-09-04T14:35:41.865512Z",
"structure_string": "Na5 H29 I2 O24\n1.0\n8.035751 0.235874 4.089240\n-0.225732 8.822903 1.995342\n0.609903 0.247856 8.503735\nNa H I O\n5 29 2 24\ndirect\n0.239753 0.106617 0.146922 Na\n0.760246 0.893383 0.853078 Na\n0.000000 0.000000 0.000000 Na\n0.268390 0.368215 0.373044 Na\n0.731609 0.631785 0.626956 Na\n0.052179 0.081492 0.627250 H\n0.107438 0.696409 0.418350 H\n0.892561 0.303590 0.581651 H\n0.056213 0.723390 0.262065 H\n0.943786 0.276609 0.737935 H\n0.736381 0.572371 0.971076 H\n0.930368 0.604786 0.809977 H\n0.947820 -0.081492 0.372751 H\n0.000846 0.345652 0.920621 H\n-0.000846 0.654348 0.079379 H\n0.828009 0.252942 0.080758 H\n0.171991 0.747058 0.919243 H\n0.263618 0.427628 0.028925 H\n0.155474 0.926299 0.640461 H\n0.069632 0.395213 0.190023 H\n0.495832 0.843977 0.857640 H\n0.844526 0.073701 0.359539 H\n0.500439 0.561310 0.243761 H\n0.500000 -0.000000 0.000000 H\n0.399137 0.819621 0.176763 H\n0.600862 0.180379 0.823237 H\n0.322211 0.204908 0.742335 H\n0.499560 0.438690 0.756239 H\n0.393470 0.043462 0.778663 H\n0.606529 0.956538 0.221337 H\n0.508111 0.161744 0.324672 H\n0.491889 0.838256 0.675329 H\n0.677789 0.795092 0.257665 H\n0.504168 0.156023 0.142361 H\n0.334520 0.594369 0.615908 I\n0.665480 0.405631 0.384092 I\n0.707604 0.893401 0.164602 O\n0.429110 0.139534 0.284132 O\n0.570890 0.860466 0.715869 O\n0.957619 0.025293 0.302155 O\n-0.008184 0.280140 0.602342 O\n0.008184 0.719861 0.397658 O\n0.810501 0.636021 0.843043 O\n0.292396 0.106599 0.835398 O\n0.189499 0.363979 0.156958 O\n0.042381 0.974707 0.697845 O\n0.407434 0.886242 0.062958 O\n0.676177 0.212676 0.347367 O\n0.597270 0.620014 0.435715 O\n0.402730 0.379986 0.564286 O\n0.115884 0.523207 0.794927 O\n0.884116 0.476793 0.205074 O\n0.585135 0.479837 0.194628 O\n0.414865 0.520163 0.805372 O\n0.323823 0.787323 0.652633 O\n0.691888 0.359142 0.592958 O\n0.308112 0.640858 0.407042 O\n0.928187 0.255533 0.953644 O\n0.592566 0.113758 0.937042 O\n0.071812 0.744467 0.046356 O\n",
"nsites": 60,
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"elements": [
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],
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"density": 2.2487319024514973,
"density_atomic": 0.10390769649404437,
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"formula_full": "Na5 H29 I2 O24",
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},
{
"id": "jvasp-98787",
"created_at": "2022-09-04T14:35:59.903514Z",
"updated_at": "2022-09-04T14:35:59.903540Z",
"structure_string": "Nd16 Ga8 O36\n1.0\n7.358983 0.000000 -2.546032\n0.000000 11.058068 0.000000\n0.031028 0.000000 11.606320\nNd Ga O\n16 8 36\ndirect\n0.522281 0.393363 0.283505 Nd\n0.834210 0.119079 0.410413 Nd\n0.834211 0.380921 0.910413 Nd\n0.023734 0.090709 0.807363 Nd\n0.477719 0.893363 0.216495 Nd\n0.336121 0.376000 0.932197 Nd\n0.477719 0.606637 0.716495 Nd\n0.165789 0.619079 0.089587 Nd\n0.165789 0.880922 0.589587 Nd\n0.976265 0.590709 0.692637 Nd\n0.336121 0.124000 0.432197 Nd\n0.023734 0.409291 0.307363 Nd\n0.976265 0.909291 0.192637 Nd\n0.663879 0.876000 0.567803 Nd\n0.522281 0.106637 0.783505 Nd\n0.663879 0.624000 0.067803 Nd\n0.785789 0.685216 0.373803 Ga\n0.785789 0.814784 0.873803 Ga\n0.214211 0.314784 0.626197 Ga\n0.656064 0.182557 0.113682 Ga\n0.343936 0.817444 0.886318 Ga\n0.343936 0.682557 0.386318 Ga\n0.214211 0.185216 0.126197 Ga\n0.656064 0.317444 0.613682 Ga\n0.783972 0.976798 0.839450 O\n0.363266 0.768310 0.041117 O\n0.567906 0.751722 0.886484 O\n0.078116 0.993442 0.394432 O\n0.363266 0.731690 0.541117 O\n0.565405 0.009005 0.395387 O\n0.072252 0.263659 0.474859 O\n0.072252 0.236341 0.974859 O\n0.785786 0.273148 0.248934 O\n0.233582 0.229278 0.768925 O\n0.216028 0.023202 0.160550 O\n0.785786 0.226852 0.748934 O\n0.296916 0.526940 0.324532 O\n0.921884 0.493442 0.105568 O\n0.432094 0.251721 0.613516 O\n0.296916 0.973060 0.824532 O\n0.927748 0.763659 0.025141 O\n0.703084 0.026940 0.175468 O\n0.927748 0.736341 0.525141 O\n0.567906 0.748279 0.386484 O\n0.636734 0.231690 0.958883 O\n0.214214 0.773148 0.251066 O\n0.921884 0.006558 0.605568 O\n0.434595 0.509005 0.104613 O\n0.432094 0.248279 0.113516 O\n0.766418 0.770722 0.231075 O\n0.783972 0.523202 0.339450 O\n0.703084 0.473060 0.675468 O\n0.078116 0.506558 0.894432 O\n0.214214 0.726852 0.751066 O\n0.233582 0.270722 0.268925 O\n0.636734 0.268310 0.458883 O\n0.766418 0.729278 0.731075 O\n0.434595 0.990996 0.604613 O\n0.216028 0.476798 0.660550 O\n0.565405 0.490996 0.895387 O\n",
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"elements": [
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"energy_above_hull": 4.578360466666666,
"spacegroup": 14
}
]
}