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{
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"results": [
{
"id": "jvasp-104105",
"created_at": "2022-09-04T14:37:10.647999Z",
"updated_at": "2022-09-04T14:37:10.648028Z",
"structure_string": "H8 C10 O4\n1.0\n4.434816 -0.019869 0.493257\n2.004620 5.412461 0.542151\n0.205239 0.124354 8.090762\nH C O\n8 10 4\ndirect\n0.752252 0.823122 0.365362 H\n0.133325 0.894911 0.125505 H\n0.266710 0.605124 0.374525 H\n0.647783 0.676912 0.134667 H\n0.974004 0.016628 0.783296 H\n0.911927 0.820880 0.645865 H\n0.426033 0.483401 0.716730 H\n0.488109 0.679151 0.854160 H\n0.093420 0.863922 0.703386 C\n0.306615 0.636108 0.796638 C\n0.455651 0.450814 0.318370 C\n0.944386 0.049220 0.181660 C\n0.730848 0.009455 0.314231 C\n0.157274 0.325367 0.979529 C\n0.242762 0.174667 0.520501 C\n0.484033 0.210244 0.382901 C\n0.916005 0.289791 0.117130 C\n0.669188 0.490580 0.185799 C\n0.091469 0.567896 0.929303 O\n0.387566 0.157742 0.920854 O\n0.012478 0.342290 0.579182 O\n0.308564 0.932136 0.570721 O\n",
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{
"id": "jvasp-50542",
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"updated_at": "2022-09-04T14:37:10.731945Z",
"structure_string": "Hf4 Bi4 O16\n1.0\n5.466766 -0.009500 0.003980\n-0.370515 7.752983 0.016918\n-0.190387 -1.134496 7.693481\nHf Bi O\n4 4 16\ndirect\n0.782023 0.324418 0.637584 Hf\n0.742964 0.822157 0.672414 Hf\n0.257036 0.177842 0.327587 Hf\n0.217977 0.675581 0.362416 Hf\n0.279860 0.146382 0.818854 Bi\n0.242627 0.631559 0.864394 Bi\n0.757372 0.368440 0.135606 Bi\n0.720139 0.853617 0.181146 Bi\n0.410361 0.174390 0.081201 O\n0.389341 0.928840 0.319487 O\n0.924100 0.092941 0.188508 O\n0.104887 0.420980 0.327840 O\n0.904687 0.816449 0.432834 O\n0.414664 0.696811 0.588023 O\n0.585336 0.303188 0.411977 O\n0.610659 0.071159 0.680513 O\n0.895112 0.579019 0.672160 O\n0.075899 0.907058 0.811492 O\n0.493494 0.613251 0.187982 O\n0.589638 0.825609 0.918799 O\n0.506505 0.386748 0.812018 O\n0.996754 0.322854 0.883491 O\n0.095312 0.183550 0.567166 O\n0.003245 0.677145 0.116509 O\n",
"nsites": 24,
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"elements": [
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"Bi",
"O"
],
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"density": 9.1939068872121,
"density_atomic": 0.07358262569430173,
"volume": 326.1639520680841,
"volume_molar": 8.184188459132898,
"formula_full": "Hf4 Bi4 O16",
"formula_reduced": "HfBiO4",
"formula_anonymous": "ABC4",
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"spacegroup": 2
},
{
"id": "jvasp-12682",
"created_at": "2022-09-04T14:37:11.005611Z",
"updated_at": "2022-09-04T14:37:11.005642Z",
"structure_string": "Li2 Ti2 P2 O8 F2\n1.0\n5.195155 -0.010697 -0.004141\n-0.740733 5.348901 -0.008787\n-2.371341 -2.427678 6.554340\nLi Ti P O F\n2 2 2 8 2\ndirect\n0.261350 0.613264 0.182736 Li\n0.738649 0.386735 0.817264 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 -0.000000 0.500000 Ti\n0.319811 0.633668 0.765733 P\n0.680189 0.366331 0.234266 P\n0.370767 0.237941 0.082398 O\n0.681503 0.660515 0.335349 O\n0.318497 0.339484 0.664650 O\n0.763140 0.225592 0.389510 O\n0.629232 0.762057 0.917601 O\n0.236860 0.774406 0.610489 O\n0.874010 0.348287 0.109586 O\n0.125989 0.651712 0.890414 O\n0.139500 0.928516 0.267785 F\n0.860499 0.071483 0.732215 F\n",
"nsites": 16,
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"elements": [
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"volume": 181.91147214334666,
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"formula_full": "Li2 Ti2 P2 O8 F2",
"formula_reduced": "LiTiPO4F",
"formula_anonymous": "ABCDE4",
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{
"id": "jvasp-51002",
"created_at": "2022-09-04T14:37:11.009758Z",
"updated_at": "2022-09-04T14:37:11.009777Z",
"structure_string": "Mo2 H4 O8\n1.0\n3.701450 -0.019886 -0.144190\n1.453790 6.258307 -0.170138\n0.915361 2.694504 6.664478\nMo H O\n2 4 8\ndirect\n0.224155 0.154228 0.793258 Mo\n0.775845 0.845771 0.206742 Mo\n0.522149 0.766393 0.677876 H\n0.220541 0.669353 0.838658 H\n0.779459 0.330647 0.161342 H\n0.477851 0.233606 0.322124 H\n0.252635 0.247137 0.540018 O\n0.747365 0.752862 0.459982 O\n0.252938 0.935406 0.131372 O\n0.747062 0.064593 0.868628 O\n0.114965 0.402854 0.840723 O\n0.885035 0.597145 0.159277 O\n0.364199 0.791936 0.788736 O\n0.635801 0.208063 0.211264 O\n",
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],
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"density": 3.436033270453978,
"density_atomic": 0.08943675191485524,
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"formula_full": "Mo2 H4 O8",
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{
"id": "jvasp-10163",
"created_at": "2022-09-04T14:37:11.018863Z",
"updated_at": "2022-09-04T14:37:11.018895Z",
"structure_string": "Ca2 Sn4 O8\n1.0\n3.298145 0.038224 -0.049119\n1.732833 7.189923 0.006111\n1.517422 1.278555 9.097430\nCa Sn O\n2 4 8\ndirect\n0.627284 0.836801 0.809080 Ca\n0.370384 0.130133 0.212805 Ca\n0.347798 0.399835 0.870475 Sn\n0.005026 0.774817 0.448523 Sn\n-0.007373 0.192122 0.573363 Sn\n0.649881 0.567100 0.151412 Sn\n0.170134 0.445185 0.260903 O\n0.533559 0.155072 0.788955 O\n0.464108 0.811865 0.232929 O\n0.827543 0.521750 0.760982 O\n0.835403 0.314177 0.037538 O\n0.177950 0.893823 0.637294 O\n0.162282 0.652756 0.984348 O\n0.819715 0.073112 0.384593 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.262064450032848,
"density_atomic": 0.06495610769822091,
"volume": 215.53015560973103,
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"formula_full": "Ca2 Sn4 O8",
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{
"id": "jvasp-50425",
"created_at": "2022-09-04T14:37:11.198965Z",
"updated_at": "2022-09-04T14:37:11.198990Z",
"structure_string": "Er6 Ta2 O14\n1.0\n-6.306750 -0.006187 0.007601\n0.865929 6.358841 -0.000480\n-0.040867 -2.189053 -7.187591\nEr Ta O\n6 2 14\ndirect\n0.735283 0.461788 0.115646 Er\n0.733918 0.456384 0.608363 Er\n0.544828 0.992604 0.750034 Er\n0.455173 0.007395 0.249966 Er\n0.266082 0.543616 0.391637 Er\n0.264717 0.538212 0.884354 Er\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.293809 0.926756 0.947445 O\n0.074581 0.335148 0.608669 O\n0.093519 0.047978 0.262733 O\n0.445036 0.652990 0.165711 O\n0.461124 0.638747 0.658760 O\n0.538876 0.361253 0.341240 O\n0.706192 0.073244 0.052555 O\n0.906482 0.952022 0.737267 O\n0.925419 0.664852 0.391331 O\n0.079979 0.325237 0.050132 O\n0.920021 0.674763 0.949868 O\n0.706903 0.069814 0.481414 O\n0.554964 0.347010 0.834289 O\n0.293097 0.930186 0.518586 O\n",
"nsites": 22,
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"elements": [
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],
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"formula_full": "Er6 Ta2 O14",
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"spacegroup": 2
},
{
"id": "jvasp-9520",
"created_at": "2022-09-04T14:37:11.090801Z",
"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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"elements": [
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],
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"density": 3.9824576989712215,
"density_atomic": 0.09891436595364943,
"volume": 161.75607906638643,
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"formula_full": "Mg2 Ni2 P2 O10",
"formula_reduced": "MgNiPO5",
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},
{
"id": "jvasp-10167",
"created_at": "2022-09-04T14:37:11.276702Z",
"updated_at": "2022-09-04T14:37:11.276726Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n3.259322 -0.019031 0.022848\n1.487240 7.372869 0.004684\n0.818789 1.433694 7.772560\nMg Ag O\n2 4 8\ndirect\n0.487693 0.198325 0.177089 Mg\n0.476917 0.834737 0.801023 Mg\n0.768672 0.558540 0.164075 Ag\n0.726589 0.202241 0.520941 Ag\n0.238011 0.830823 0.457173 Ag\n0.195935 0.474523 0.814038 Ag\n0.532397 0.633681 0.639033 O\n0.618889 0.789848 0.251093 O\n0.345723 0.243214 0.727023 O\n0.432208 0.399381 0.339081 O\n0.001141 0.702337 0.936364 O\n0.012096 0.082344 0.314573 O\n0.963462 0.330728 0.041749 O\n0.952511 0.950719 0.663540 O\n",
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{
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"created_at": "2022-09-04T14:37:11.441679Z",
"updated_at": "2022-09-04T14:37:11.441707Z",
"structure_string": "Mg2 Co2 P2 O10\n1.0\n5.420128 -0.237313 -0.100810\n-1.427334 4.899628 0.274326\n-1.677044 -1.599404 6.012222\nMg Co P O\n2 2 2 10\ndirect\n0.776413 0.618920 0.224355 Mg\n0.233718 0.372575 0.746546 Mg\n0.505067 0.995733 0.485440 Co\n0.505095 0.995755 0.985435 Co\n0.158783 0.283033 0.240242 P\n0.851378 0.708468 0.730655 P\n0.350481 0.325458 0.093494 O\n0.132230 -0.008130 0.305788 O\n0.659684 0.666047 0.877405 O\n0.877909 0.999621 0.665094 O\n0.750110 0.475452 0.518822 O\n0.132815 0.702026 0.867646 O\n0.260075 0.516042 0.452082 O\n0.877362 0.289504 0.103252 O\n0.435793 0.101328 0.728117 O\n0.574364 0.890198 0.242758 O\n",
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"formula_full": "Mg2 Co2 P2 O10",
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},
{
"id": "jvasp-85247",
"created_at": "2022-09-04T14:37:11.464769Z",
"updated_at": "2022-09-04T14:37:11.464793Z",
"structure_string": "Cu4 Mo6 Se8\n1.0\n6.602197 -0.036484 1.913783\n-0.049857 6.571924 2.094753\n-0.158853 -0.228898 8.051405\nCu Mo Se\n4 6 8\ndirect\n0.269755 0.142951 0.014440 Cu\n0.730245 0.857049 0.985559 Cu\n0.642490 0.231034 0.918968 Cu\n0.357510 0.768966 0.081031 Cu\n0.222824 0.925962 0.579760 Mo\n0.777176 0.074037 0.420239 Mo\n0.425214 0.277800 0.455543 Mo\n0.501279 0.001895 0.264402 Mo\n0.574786 0.722199 0.544456 Mo\n0.498721 0.998105 0.735597 Mo\n0.149347 0.197179 0.753272 Se\n0.838879 0.787704 0.700956 Se\n0.696764 0.352987 0.154576 Se\n0.290691 0.662460 0.398661 Se\n0.303237 0.647013 0.845423 Se\n0.850653 0.802821 0.246727 Se\n0.161121 0.212296 0.299043 Se\n0.709309 0.337539 0.601338 Se\n",
"nsites": 18,
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"elements": [
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],
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"density": 6.8454260543094465,
"density_atomic": 0.0507719545727171,
"volume": 354.5264339630626,
"volume_molar": 11.861156047035598,
"formula_full": "Cu4 Mo6 Se8",
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"formula_anonymous": "A2B3C4",
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"spacegroup": 2
},
{
"id": "jvasp-30616",
"created_at": "2022-09-04T14:37:11.892503Z",
"updated_at": "2022-09-04T14:37:11.892518Z",
"structure_string": "Sn4 F12\n1.0\n4.064317 -0.440817 0.082509\n-1.355826 7.690024 -1.645640\n1.643971 -0.750886 8.298540\nSn F\n4 12\ndirect\n0.253503 0.754076 0.244770 Sn\n0.746496 0.245923 0.755229 Sn\n0.063996 0.751718 0.749870 Sn\n-0.063997 0.248281 0.250130 Sn\n0.884025 0.321554 0.544073 F\n0.115974 0.678445 0.455927 F\n0.385846 0.817524 0.030131 F\n0.614153 0.182475 -0.030131 F\n0.757284 0.759427 0.242984 F\n0.242716 0.240572 0.757016 F\n0.662440 -0.013915 0.634395 F\n0.337560 0.013914 0.365605 F\n0.514900 0.377109 0.315772 F\n0.485099 0.622890 0.684228 F\n0.832446 0.510124 0.872895 F\n0.167554 0.489874 0.127104 F\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.06409747965430344,
"volume": 249.6197991916797,
"volume_molar": 9.395284795095185,
"formula_full": "Sn4 F12",
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},
{
"id": "jvasp-42706",
"created_at": "2022-09-04T14:37:11.994442Z",
"updated_at": "2022-09-04T14:37:11.994461Z",
"structure_string": "Li4 Mn2 Fe2 B4 O12\n1.0\n5.196092 -0.025117 0.058785\n-0.141980 5.966928 0.187177\n0.012278 -1.632817 7.668217\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.406577 0.701593 0.018155 Li\n0.593423 0.298406 0.981846 Li\n0.914133 0.211961 0.519237 Li\n0.085866 0.788039 0.480765 Li\n0.083812 0.079228 0.831565 Mn\n0.916188 0.920772 0.168436 Mn\n0.564929 0.561893 0.353818 Fe\n0.435071 0.438107 0.646183 Fe\n0.418361 0.068907 0.335318 B\n0.581639 0.931093 0.664684 B\n0.927053 0.584600 0.829138 B\n0.072947 0.415400 0.170864 B\n0.066935 0.755808 0.936561 O\n0.662660 0.564067 0.849436 O\n0.427825 0.761027 0.564259 O\n0.941894 0.571989 0.291956 O\n0.337340 0.435933 0.150565 O\n0.933065 0.244192 0.063441 O\n0.464856 0.094269 0.785166 O\n0.058106 0.428011 0.708045 O\n0.572175 0.238973 0.435743 O\n0.157177 0.062576 0.363306 O\n0.535144 0.905730 0.214835 O\n0.842822 0.937423 0.636696 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 3.3621910804710216,
"density_atomic": 0.10028380414820393,
"volume": 239.32079764875812,
"volume_molar": 6.005098042651243,
"formula_full": "Li4 Mn2 Fe2 B4 O12",
"formula_reduced": "Li2MnFe(BO3)2",
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"spacegroup": 2
}
]
}