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{
"id": "jvasp-120724",
"created_at": "2022-09-04T14:38:53.795992Z",
"updated_at": "2022-09-04T14:38:53.796017Z",
"structure_string": "Rb4 Cu4 Te4 S12\n1.0\n10.570131 0.000000 0.000000\n-0.000000 7.103955 2.022549\n-0.000000 0.003138 8.083214\nRb Cu Te S\n4 4 4 12\ndirect\n0.239847 0.474456 0.883383 Rb\n0.760153 0.525545 0.116617 Rb\n0.739847 0.525545 0.616616 Rb\n0.260153 0.474456 0.383383 Rb\n0.249507 0.914661 0.520336 Cu\n0.750493 0.085340 0.479663 Cu\n0.749507 0.085340 0.979663 Cu\n0.250493 0.914661 0.020336 Cu\n0.999171 0.063928 0.732935 Te\n0.000828 0.936073 0.267064 Te\n0.499171 0.936074 0.767064 Te\n0.500828 0.063927 0.232936 Te\n0.938116 0.263260 0.914804 S\n0.060201 0.738542 0.548604 S\n0.939799 0.261459 0.451395 S\n0.560201 0.261459 0.951395 S\n0.439799 0.738542 0.048605 S\n0.729921 0.892978 0.776180 S\n0.270079 0.107023 0.223819 S\n0.229921 0.107023 0.723819 S\n0.770079 0.892978 0.276181 S\n0.438116 0.736741 0.585195 S\n0.561884 0.263260 0.414805 S\n0.061884 0.736741 0.085195 S\n",
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{
"id": "jvasp-29193",
"created_at": "2022-09-04T14:37:19.037115Z",
"updated_at": "2022-09-04T14:37:19.037130Z",
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{
"id": "jvasp-46539",
"created_at": "2022-09-04T14:37:28.505070Z",
"updated_at": "2022-09-04T14:37:28.505098Z",
"structure_string": "Li2 Mn2 Al2 O6\n1.0\n5.511335 0.309004 -0.186845\n-2.456007 4.717121 0.222290\n-2.915521 -1.690574 4.843054\nLi Mn Al O\n2 2 2 6\ndirect\n0.316400 0.076351 0.569447 Li\n0.683599 0.923649 0.430553 Li\n0.666642 0.422030 0.261373 Mn\n0.333357 0.577970 0.738627 Mn\n0.008557 0.756691 0.921138 Al\n-0.008557 0.243309 0.078861 Al\n0.015514 0.757381 0.619481 O\n0.706502 0.426140 0.916138 O\n0.283320 0.071929 0.218714 O\n0.716679 0.928070 0.781286 O\n0.293497 0.573860 0.083862 O\n0.984485 0.242618 0.380519 O\n",
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{
"id": "jvasp-29194",
"created_at": "2022-09-04T14:37:15.788575Z",
"updated_at": "2022-09-04T14:37:15.788613Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.507401 0.000000 0.000000\n-1.753700 3.037494 -0.000001\n0.000000 -0.000040 37.606685\nTe Mo W Se\n6 2 2 2\ndirect\n0.333353 0.666706 0.326067 Te\n0.333323 0.666646 0.709154 Te\n0.666674 0.333349 0.419653 Te\n0.666685 0.333369 0.517640 Te\n0.333365 0.666730 0.228515 Te\n0.333333 0.666667 0.611237 Te\n0.333299 0.666597 0.096737 Mo\n0.666693 0.333386 0.277297 Mo\n0.333346 0.666692 0.468655 W\n0.666660 0.333322 0.660239 W\n0.666638 0.333275 0.053810 Se\n0.666627 0.333253 0.139742 Se\n",
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],
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"density_atomic": 0.02995127698568501,
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"volume_molar": 20.106457440456502,
"formula_full": "Te6 Mo2 W2 Se2",
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{
"id": "jvasp-29048",
"created_at": "2022-09-04T14:37:14.631194Z",
"updated_at": "2022-09-04T14:37:14.631221Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.470626 -0.000000 0.000000\n-1.735312 3.005727 -0.000136\n0.000000 -0.001730 35.686146\nTe Mo W S\n6 2 2 2\ndirect\n0.333331 0.666659 0.340234 Te\n0.333366 0.666732 0.708893 Te\n0.666680 0.333357 0.033634 Te\n0.666601 0.333200 0.137176 Te\n0.333333 0.666667 0.236091 Te\n0.333374 0.666748 0.604811 Te\n0.333291 0.666580 0.085344 Mo\n0.333340 0.666679 0.472500 Mo\n0.666704 0.333406 0.288138 W\n0.666680 0.333358 0.656924 W\n0.666633 0.333264 0.430989 S\n0.666679 0.333354 0.514012 S\n",
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{
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"created_at": "2022-09-04T14:37:16.820328Z",
"updated_at": "2022-09-04T14:37:16.820344Z",
"structure_string": "Li3 Cu3 C3 O9\n1.0\n0.000000 8.280961 0.000236\n2.959860 0.000000 0.000000\n0.000000 -4.140293 -7.171656\nLi Cu C O\n3 3 3 9\ndirect\n0.670808 0.500000 0.968340 Li\n0.031661 0.500000 0.702468 Li\n0.297533 0.500000 0.329194 Li\n0.978427 0.000000 0.333747 Cu\n0.666249 0.000000 0.644679 Cu\n0.355321 0.000000 0.021570 Cu\n-0.000000 0.000000 0.000000 C\n0.333332 0.000000 0.666667 C\n0.666667 0.500000 0.333333 C\n0.225474 0.000000 0.738300 O\n0.944084 0.000000 0.822815 O\n0.848228 0.500000 0.430214 O\n0.569785 0.500000 0.418012 O\n0.878732 0.000000 0.055917 O\n0.581988 0.500000 0.151773 O\n0.177187 0.000000 0.121268 O\n0.512826 0.000000 0.774526 O\n0.261700 0.000000 0.487174 O\n",
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{
"id": "jvasp-28854",
"created_at": "2022-09-04T14:37:30.310056Z",
"updated_at": "2022-09-04T14:37:30.310083Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.509263 0.000000 -0.000000\n-1.754633 3.037974 0.001869\n-0.000000 0.023761 34.269035\nTe Mo W Se\n6 2 2 2\ndirect\n0.333166 0.666333 0.735888 Te\n0.667862 0.335724 0.022321 Te\n0.666077 0.332156 0.417816 Te\n0.666560 0.333120 0.129680 Te\n0.665421 0.330842 0.524786 Te\n0.334493 0.668987 0.628456 Te\n0.332577 0.665152 0.471287 Mo\n0.666677 0.333356 0.273435 Mo\n0.333559 0.667116 0.075959 W\n0.666887 0.333774 0.682237 W\n0.332796 0.665593 0.320597 Se\n0.333920 0.667839 0.226287 Se\n",
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{
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"created_at": "2022-09-04T14:37:16.028396Z",
"updated_at": "2022-09-04T14:37:16.028417Z",
"structure_string": "V2 I2 N2 Cl6\n1.0\n5.932099 0.064986 0.427329\n2.290582 6.456547 3.510727\n0.075601 0.023840 8.161685\nV I N Cl\n2 2 2 6\ndirect\n0.748868 0.525187 0.849259 V\n0.251131 0.474814 0.150741 V\n0.711192 0.182326 0.678771 I\n0.288807 0.817676 0.321229 I\n0.707398 0.402994 0.739706 N\n0.292602 0.597007 0.260294 N\n0.850603 0.663690 0.072797 Cl\n0.777999 0.815676 0.605878 Cl\n0.149396 0.336311 0.927203 Cl\n0.659203 0.273889 0.142044 Cl\n0.222000 0.184325 0.394121 Cl\n0.340796 0.726112 0.857955 Cl\n",
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{
"id": "jvasp-28722",
"created_at": "2022-09-04T14:37:19.787667Z",
"updated_at": "2022-09-04T14:37:19.787688Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.292765 0.000000 0.000000\n-1.646383 2.851613 0.000007\n0.000000 0.000149 34.945335\nMo W Se S\n2 2 6 2\ndirect\n0.333313 0.666623 0.096431 Mo\n0.666685 0.333367 0.278949 Mo\n0.333342 0.666680 0.468647 W\n0.666666 0.333330 0.658889 W\n0.333349 0.666697 0.327180 Se\n0.333330 0.666656 0.707352 Se\n0.666679 0.333353 0.420128 Se\n0.666672 0.333339 0.517161 Se\n0.333349 0.666695 0.230726 Se\n0.333335 0.666670 0.610367 Se\n0.666650 0.333295 0.052537 S\n0.666645 0.333287 0.140380 S\n",
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{
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"created_at": "2022-09-04T14:36:05.417324Z",
"updated_at": "2022-09-04T14:36:05.417352Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n0.000000 4.447063 -0.026703\n4.784250 0.000000 0.000000\n0.000000 -4.276171 -11.435905\nLi V O F\n4 4 4 12\ndirect\n0.956736 0.746576 0.945020 Li\n0.043263 0.253424 0.054980 Li\n0.956736 0.753424 0.445020 Li\n0.043263 0.246576 0.554979 Li\n0.345405 0.275238 0.315264 V\n0.654595 0.724762 0.684735 V\n0.654595 0.775238 0.184736 V\n0.345404 0.224762 0.815264 V\n0.442523 0.435618 0.701801 O\n0.557476 0.935618 0.798198 O\n0.442523 0.064382 0.201801 O\n0.557476 0.564382 0.298198 O\n0.815990 0.907846 0.068445 F\n0.043959 0.572175 0.806449 F\n0.184009 0.092154 0.931555 F\n0.325943 0.586689 0.066873 F\n0.674057 0.086689 0.433127 F\n0.815990 0.592154 0.568444 F\n0.956040 0.072175 0.693550 F\n0.043959 0.927825 0.306449 F\n0.325943 0.913311 0.566873 F\n0.184009 0.407846 0.431555 F\n0.674057 0.413311 0.933127 F\n0.956040 0.427825 0.193550 F\n",
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{
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"created_at": "2022-09-04T14:36:03.133196Z",
"updated_at": "2022-09-04T14:36:03.133220Z",
"structure_string": "K8 Te8 O8 F24\n1.0\n7.829626 0.000000 -0.000000\n-0.000000 10.064445 -0.000000\n-0.000000 0.000000 10.064445\nK Te O F\n8 8 8 24\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.250000 0.750000 0.750000 K\n0.750000 0.250000 0.250000 K\n0.500000 0.500000 0.000000 K\n0.500000 -0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.537335 0.620558 0.404131 Te\n0.462665 0.379442 0.595870 Te\n0.962666 0.404131 0.879443 Te\n0.037335 0.595870 0.120558 Te\n0.037335 0.904131 0.379442 Te\n0.537335 0.879443 0.095869 Te\n0.462665 0.120558 0.904131 Te\n0.962666 0.095869 0.620558 Te\n0.345901 0.493736 0.468960 O\n0.845901 0.531040 0.993736 O\n0.154100 0.468960 0.006264 O\n0.654100 0.993736 0.968960 O\n0.654100 0.506265 0.531040 O\n0.154100 0.031040 0.493736 O\n0.845901 0.968960 0.506265 O\n0.345901 0.006264 0.031040 O\n0.610512 0.490492 0.259610 F\n0.110512 0.740391 0.990492 F\n0.110512 0.759610 0.509508 F\n0.507709 0.752304 0.930911 F\n0.216609 0.305199 0.609877 F\n0.716609 0.109877 0.694801 F\n0.889488 0.240391 0.490492 F\n0.783392 0.805199 0.109877 F\n0.783392 0.694801 0.390123 F\n0.716609 0.390123 0.805199 F\n0.216609 0.194801 0.890124 F\n0.007709 0.069089 0.252304 F\n0.283391 0.890124 0.305199 F\n0.992291 0.569089 0.752304 F\n0.507709 0.747697 0.569089 F\n0.389488 0.509508 0.740391 F\n0.889488 0.259610 0.009508 F\n0.492291 0.252304 0.430911 F\n0.610512 0.009508 0.240391 F\n0.007709 0.430911 0.247696 F\n0.389488 0.990492 0.759610 F\n0.492291 0.247696 0.069089 F\n0.283391 0.609877 0.194801 F\n0.992291 0.930911 0.747697 F\n",
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{
"id": "jvasp-96183",
"created_at": "2022-09-04T14:36:05.347792Z",
"updated_at": "2022-09-04T14:36:05.347822Z",
"structure_string": "K2 Zr2 Cu2 S6\n1.0\n3.758286 -0.000000 0.000000\n-1.879143 6.976026 -0.000000\n-0.000000 -0.000000 9.820820\nK Zr Cu S\n2 2 2 6\ndirect\n0.255366 0.510731 0.250000 K\n0.744636 0.489270 0.750000 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.535927 0.071852 0.250000 Cu\n0.464075 0.928148 0.750000 Cu\n0.935467 0.870932 0.250000 S\n0.064535 0.129068 0.750000 S\n0.376183 0.752365 0.552125 S\n0.376183 0.752365 0.947875 S\n0.623819 0.247636 0.052125 S\n0.623819 0.247636 0.447875 S\n",
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]
}