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{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
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"structure_string": "Dy4 Mn8 O20\n1.0\n5.656007 0.000000 0.000000\n0.000000 7.232405 -0.000000\n0.000000 0.000000 8.523048\nDy Mn O\n4 8 20\ndirect\n0.000000 0.137772 0.172285 Dy\n0.000000 0.637772 0.327715 Dy\n0.000000 0.362228 0.672285 Dy\n0.000000 0.862229 0.827715 Dy\n0.255825 0.000000 0.500000 Mn\n0.744176 0.500000 0.000000 Mn\n0.744176 0.000000 0.500000 Mn\n0.255825 0.500000 0.000000 Mn\n0.500000 0.406333 0.351904 Mn\n0.500000 0.593667 0.648096 Mn\n0.500000 0.906334 0.148096 Mn\n0.500000 0.093667 0.851904 Mn\n0.000000 0.334847 0.945273 O\n0.000000 0.665154 0.054728 O\n0.000000 0.834847 0.554728 O\n0.000000 0.165154 0.445272 O\n0.245716 0.896479 0.293014 O\n0.729518 0.500000 0.500000 O\n0.270482 0.000000 0.000000 O\n0.500000 0.154815 0.431929 O\n0.500000 0.845185 0.568071 O\n0.500000 0.654816 0.068071 O\n0.500000 0.345185 0.931929 O\n0.245716 0.396479 0.206986 O\n0.245716 0.603522 0.793015 O\n0.754284 0.896479 0.293014 O\n0.754284 0.103522 0.706986 O\n0.754284 0.603522 0.793015 O\n0.754284 0.396479 0.206986 O\n0.245716 0.103522 0.706986 O\n0.729518 0.000000 0.000000 O\n0.270482 0.500000 0.500000 O\n",
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{
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"structure_string": "Sr8 Cr4 Cl4 O16\n1.0\n6.530299 0.000000 0.000000\n-0.000000 7.512988 0.000000\n0.000000 0.000000 11.457768\nSr Cr Cl O\n8 4 4 16\ndirect\n0.136093 0.465533 0.250000 Sr\n0.621079 0.250000 0.000000 Sr\n0.378921 0.750000 0.000000 Sr\n0.621079 0.250000 0.500000 Sr\n0.136093 0.034467 0.750000 Sr\n0.863907 0.965533 0.250000 Sr\n0.863907 0.534467 0.750000 Sr\n0.378921 0.750000 0.500000 Sr\n0.876527 0.750000 0.500000 Cr\n0.123473 0.250000 0.000000 Cr\n0.876527 0.750000 0.000000 Cr\n0.123473 0.250000 0.500000 Cr\n0.522978 0.674584 0.250000 Cl\n0.477022 0.174584 0.250000 Cl\n0.522978 0.825417 0.750000 Cl\n0.477022 0.325416 0.750000 Cl\n0.034870 0.729245 0.119172 O\n0.281630 0.425610 0.469464 O\n0.718370 0.574390 0.530536 O\n0.281630 0.425610 0.030536 O\n0.965130 0.270755 0.880828 O\n0.718370 0.925611 0.469464 O\n0.965130 0.229245 0.380828 O\n0.034870 0.770755 0.619172 O\n0.718370 0.574390 0.969464 O\n0.965130 0.229245 0.119172 O\n0.281630 0.074390 0.969464 O\n0.965130 0.270755 0.619172 O\n0.034870 0.729245 0.380828 O\n0.281630 0.074390 0.530536 O\n0.718370 0.925611 0.030536 O\n0.034870 0.770755 0.880828 O\n",
"nsites": 32,
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"elements": [
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{
"id": "jvasp-99194",
"created_at": "2022-09-04T14:36:32.639329Z",
"updated_at": "2022-09-04T14:36:32.639350Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.290964 0.060637 0.645096\n-1.275523 7.981473 -2.659840\n0.897797 -0.253950 8.471036\nAl Si O\n8 4 20\ndirect\n0.783678 0.830006 0.313056 Al\n0.262331 0.993532 0.944225 Al\n0.672051 0.190027 0.808338 Al\n0.327950 0.809973 0.191663 Al\n0.875973 0.817931 0.670764 Al\n0.737670 0.006468 0.055776 Al\n0.124027 0.182069 0.329237 Al\n0.216323 0.169994 0.686945 Al\n0.576906 0.392120 0.574395 Si\n0.011504 0.455156 0.674076 Si\n0.423094 0.607880 0.425606 Si\n0.988497 0.544844 0.325925 Si\n0.878484 0.295997 0.509752 O\n0.788143 0.574299 0.686833 O\n0.909784 0.041167 0.678297 O\n0.211858 0.425701 0.313168 O\n0.950268 0.872052 0.878943 O\n0.649448 0.770021 0.515416 O\n0.680760 0.463415 0.380140 O\n0.090216 0.958833 0.321704 O\n0.319241 0.536585 0.619861 O\n0.411559 0.846781 0.991253 O\n0.121516 0.704003 0.490249 O\n0.499059 0.331198 0.752534 O\n0.500941 0.668802 0.247467 O\n0.049732 0.127948 0.121057 O\n0.375744 0.040675 0.748949 O\n0.350552 0.229979 0.484585 O\n0.588441 0.153219 0.008748 O\n0.008532 0.646729 0.193728 O\n-0.008531 0.353270 0.806272 O\n0.624256 0.959325 0.251052 O\n",
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{
"id": "jvasp-99190",
"created_at": "2022-09-04T14:36:32.172566Z",
"updated_at": "2022-09-04T14:36:32.172591Z",
"structure_string": "Na12 V4 S12 O4\n1.0\n5.905700 -0.000000 0.000000\n0.000000 9.640331 0.000000\n0.000000 0.000000 11.844491\nNa V S O\n12 4 12 4\ndirect\n0.249080 0.456039 0.130276 Na\n0.233980 0.750000 0.369614 Na\n0.250920 0.956039 0.630276 Na\n0.749081 0.043961 0.369723 Na\n0.266020 0.250000 0.869614 Na\n0.249080 0.043961 0.130276 Na\n0.250920 0.543961 0.630276 Na\n0.733980 0.750000 0.130386 Na\n0.749081 0.456039 0.369723 Na\n0.750920 0.956039 0.869723 Na\n0.766020 0.250000 0.630386 Na\n0.750920 0.543961 0.869723 Na\n0.655802 0.750000 0.547078 V\n0.844198 0.250000 0.047079 V\n0.344198 0.250000 0.452921 V\n0.155802 0.750000 0.952921 V\n0.749879 0.750000 0.367852 S\n0.272242 0.559167 0.873893 S\n0.272242 0.940832 0.873893 S\n0.772242 0.940832 0.626107 S\n0.727758 0.059168 0.126107 S\n0.772242 0.559167 0.626107 S\n0.750122 0.250000 0.867851 S\n0.227758 0.440832 0.373893 S\n0.250122 0.250000 0.632149 S\n0.227758 0.059168 0.373893 S\n0.249879 0.750000 0.132148 S\n0.727758 0.440832 0.126107 S\n0.870130 0.750000 0.947223 O\n0.629870 0.250000 0.447223 O\n0.370130 0.750000 0.552777 O\n0.129870 0.250000 0.052777 O\n",
"nsites": 32,
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"elements": [
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],
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"density": 2.286200125029696,
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"formula_full": "Na12 V4 S12 O4",
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{
"id": "jvasp-91450",
"created_at": "2022-09-04T14:36:12.370662Z",
"updated_at": "2022-09-04T14:36:12.370681Z",
"structure_string": "Li4 H12 C4 O12\n1.0\n4.799316 0.000000 0.000000\n0.000000 6.281612 0.000000\n0.000000 0.000000 9.939717\nLi H C O\n4 12 4 12\ndirect\n0.727067 0.384447 0.550898 Li\n0.227066 0.884447 0.949103 Li\n0.227066 0.615553 0.449103 Li\n0.727067 0.115553 0.050898 Li\n0.626003 0.395822 0.870815 H\n0.621612 0.658024 0.208916 H\n0.850983 0.479862 0.980571 H\n0.126003 0.604178 0.129186 H\n0.621612 0.841976 0.708917 H\n0.121612 0.158024 0.291084 H\n0.121612 0.341976 0.791084 H\n0.350982 0.979862 0.519429 H\n0.126003 0.895822 0.629186 H\n0.850983 0.020138 0.480571 H\n0.350982 0.520137 0.019429 H\n0.626003 0.104178 0.370815 H\n0.743958 0.611383 0.299089 C\n0.243957 0.388617 0.700911 C\n0.743958 0.888617 0.799089 C\n0.243957 0.111383 0.200911 C\n0.006404 0.903332 0.786207 O\n0.506404 0.096667 0.213794 O\n0.176178 0.896112 0.530675 O\n0.676179 0.396113 0.969325 O\n0.112999 0.421626 0.592428 O\n0.612999 0.578373 0.407572 O\n0.176178 0.603887 0.030675 O\n0.006404 0.596667 0.286206 O\n0.612999 0.921626 0.907572 O\n0.506404 0.403332 0.713794 O\n0.676179 0.103887 0.469325 O\n0.112999 0.078374 0.092428 O\n",
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"elements": [
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"density": 1.5510277877211538,
"density_atomic": 0.10678875056013679,
"volume": 299.6570315894799,
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"formula_full": "Li4 H12 C4 O12",
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{
"id": "jvasp-5527",
"created_at": "2022-09-04T14:38:36.931677Z",
"updated_at": "2022-09-04T14:38:36.931690Z",
"structure_string": "Nd8 Ge4 O20\n1.0\n0.000000 7.018525 -0.054184\n7.323548 0.000000 0.000000\n0.000000 -2.992224 -9.601836\nNd Ge O\n8 4 20\ndirect\n0.746193 0.118559 0.529001 Nd\n0.753806 0.618560 0.470999 Nd\n0.253807 0.881441 0.470999 Nd\n0.246193 0.381441 0.529001 Nd\n0.926690 0.652808 0.149167 Nd\n0.573309 0.152808 0.850833 Nd\n0.073310 0.347192 0.850833 Nd\n0.426691 0.847193 0.149167 Nd\n0.487957 0.363561 0.206454 Ge\n0.012043 0.863561 0.793546 Ge\n0.987957 0.136439 0.206454 Ge\n0.512042 0.636439 0.793546 Ge\n0.977924 0.857645 0.602020 O\n0.245125 0.035201 0.823822 O\n0.254876 0.535201 0.176178 O\n0.143335 0.921726 0.216965 O\n0.356666 0.421726 0.783035 O\n0.856665 0.078274 0.783035 O\n0.643334 0.578274 0.216965 O\n0.522075 0.357645 0.397980 O\n0.477925 0.642356 0.602020 O\n0.048659 0.617171 0.389697 O\n0.308666 0.107563 0.974170 O\n0.191334 0.607563 0.025831 O\n0.691334 0.892437 0.025830 O\n0.808666 0.392437 0.974169 O\n0.745124 0.464800 0.823822 O\n0.451341 0.117171 0.610303 O\n0.951341 0.382830 0.610303 O\n0.548659 0.882830 0.389697 O\n0.022075 0.142355 0.397980 O\n0.754875 0.964800 0.176178 O\n",
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},
{
"id": "jvasp-31081",
"created_at": "2022-09-04T14:38:33.262503Z",
"updated_at": "2022-09-04T14:38:33.262528Z",
"structure_string": "Li12 Nb4 O16\n1.0\n6.909948 -0.000000 -2.443036\n-3.454974 5.984191 -2.443036\n0.000000 0.000000 7.329106\nLi Nb O\n12 4 16\ndirect\n0.515191 0.273988 0.999989 Li\n0.274000 0.515203 0.000011 Li\n0.726001 0.726012 0.241203 Li\n0.484797 0.758796 0.484809 Li\n0.484809 0.484796 0.758796 Li\n0.726012 0.241204 0.726000 Li\n0.000012 0.274000 0.515204 Li\n0.273989 0.999988 0.515191 Li\n0.241204 0.726000 0.726012 Li\n0.515204 0.000012 0.274000 Li\n0.999989 0.515191 0.273988 Li\n0.758797 0.484809 0.484796 Li\n0.282093 0.282093 0.282093 Nb\n-0.000000 -0.000000 0.717908 Nb\n0.000000 0.717907 -0.000000 Nb\n0.717908 0.000000 -0.000000 Nb\n-0.000003 0.757671 0.511585 O\n0.488412 0.488415 0.246085 O\n0.488415 0.246086 0.488412 O\n0.242326 0.753914 0.242329 O\n0.511589 0.757674 0.000003 O\n0.511585 -0.000003 0.757671 O\n0.242329 0.242326 0.753915 O\n0.757674 0.000003 0.511588 O\n0.246086 0.488412 0.488415 O\n0.228589 0.000000 -0.000000 O\n-0.000000 -0.000000 0.228589 O\n0.000000 0.228589 -0.000000 O\n0.771412 0.771411 0.771411 O\n0.000003 0.511588 0.757674 O\n0.757671 0.511585 -0.000004 O\n0.753915 0.242329 0.242326 O\n",
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"spacegroup": 217
},
{
"id": "jvasp-21668",
"created_at": "2022-09-04T14:38:33.440593Z",
"updated_at": "2022-09-04T14:38:33.440612Z",
"structure_string": "Li8 Mg4 Si4 O16\n1.0\n0.000000 5.019720 -0.006511\n10.743622 0.000000 0.000000\n0.000000 -4.962428 -6.284907\nLi Mg Si O\n8 4 4 16\ndirect\n0.687650 0.837728 0.997402 Li\n0.312350 0.337728 0.502599 Li\n0.312350 0.162272 0.002599 Li\n0.687650 0.662272 0.497401 Li\n0.535600 0.925488 0.238114 Li\n0.464400 0.425488 0.261886 Li\n0.464400 0.074512 0.761886 Li\n0.535600 0.574512 0.738114 Li\n0.190900 0.834219 0.500675 Mg\n0.809100 0.165780 0.499325 Mg\n0.190900 0.665780 0.000675 Mg\n0.809100 0.334220 -0.000675 Mg\n0.935318 0.913922 0.749783 Si\n0.935318 0.586078 0.249783 Si\n0.064682 0.086078 0.250218 Si\n0.064682 0.413922 0.750218 Si\n0.956696 0.941209 0.249071 O\n0.043304 0.058790 0.750929 O\n0.604324 0.910388 0.748409 O\n0.395676 0.410388 0.751592 O\n0.395676 0.089612 0.251591 O\n0.043304 0.441209 0.250929 O\n0.172854 0.159666 0.466900 O\n0.172854 0.340334 0.966900 O\n0.256149 0.660199 0.462999 O\n0.604324 0.589612 0.248409 O\n0.743851 0.339801 0.537002 O\n0.256149 0.839801 0.962999 O\n0.743851 0.160199 0.037002 O\n0.956696 0.558790 0.749071 O\n0.827146 0.840334 0.533101 O\n0.827146 0.659666 0.033100 O\n",
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{
"id": "jvasp-30483",
"created_at": "2022-09-04T14:38:37.152483Z",
"updated_at": "2022-09-04T14:38:37.152498Z",
"structure_string": "P2 W8 Cl22\n1.0\n6.561811 4.973146 0.074942\n-6.561811 4.973146 -0.074942\n-0.142120 0.000000 11.413883\nP W Cl\n2 8 22\ndirect\n0.332530 0.667471 0.250071 P\n0.667470 0.332530 0.749929 P\n0.645837 0.092248 0.873269 W\n0.907753 0.354165 0.873269 W\n0.354165 0.907754 0.126729 W\n0.092248 0.645837 0.126729 W\n0.645829 0.092256 0.626820 W\n0.907743 0.354171 0.626820 W\n0.354171 0.907743 0.373181 W\n0.092257 0.645827 0.373181 W\n0.188926 0.470767 0.513934 Cl\n0.015595 0.612165 0.749950 Cl\n0.612164 0.015596 0.250049 Cl\n0.511542 0.488459 0.749813 Cl\n0.488458 0.511543 0.250186 Cl\n0.917332 0.770417 0.249782 Cl\n0.770418 0.917332 0.750217 Cl\n0.082669 0.229582 0.750217 Cl\n0.229582 0.082668 0.249782 Cl\n0.470768 0.188925 0.486066 Cl\n0.188947 0.470769 0.986312 Cl\n0.529234 0.811075 0.513934 Cl\n0.875724 0.124276 0.489409 Cl\n0.124276 0.875724 0.510591 Cl\n0.387836 0.984406 0.749950 Cl\n0.470769 0.188948 0.013686 Cl\n0.811054 0.529232 0.013686 Cl\n0.529233 0.811054 0.986312 Cl\n0.875718 0.124282 0.010934 Cl\n0.124282 0.875718 0.989064 Cl\n0.811076 0.529233 0.486066 Cl\n0.984405 0.387837 0.250049 Cl\n",
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"elements": [
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{
"id": "jvasp-25966",
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