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{
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"structure_string": "Mg2 H12 C10 O8\n1.0\n4.775671 0.003215 -0.116741\n-0.737323 6.051150 -0.943803\n0.068848 0.010499 8.837872\nMg H C O\n2 12 10 8\ndirect\n0.798590 0.729212 0.753872 Mg\n0.298598 0.229206 0.753864 Mg\n0.045365 0.240381 0.268672 H\n0.545361 0.740381 0.268666 H\n0.789121 0.008489 0.229520 H\n0.289120 0.508489 0.229516 H\n0.953785 0.677164 0.395640 H\n0.453781 0.177169 0.395637 H\n0.101572 0.941781 0.382548 H\n0.775228 0.453210 0.117836 H\n0.275222 0.953211 0.117834 H\n0.481260 0.249471 0.097226 H\n0.981246 0.749477 0.097231 H\n0.601576 0.441785 0.382549 H\n0.318314 0.689332 0.249261 C\n0.711779 0.274622 0.106875 C\n0.211767 0.774624 0.106876 C\n0.818317 0.189333 0.249263 C\n0.658597 0.276122 0.389991 C\n0.803937 0.305026 0.546610 C\n0.825087 0.170844 0.957809 C\n0.325057 0.670844 0.957805 C\n0.303938 0.805030 0.546610 C\n0.158599 0.776120 0.389990 C\n0.157299 0.884716 0.660161 O\n0.555839 0.769087 0.562564 O\n0.055841 0.269097 0.562563 O\n0.153878 0.578759 0.847137 O\n0.653916 0.078720 0.847145 O\n0.591098 0.675719 0.946647 O\n0.091133 0.175763 0.946650 O\n0.657289 0.384698 0.660165 O\n",
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"structure_string": "Tl16 Sn4 S12\n1.0\n8.125856 0.000000 0.000000\n0.000000 8.125856 0.000000\n0.000000 0.000000 13.656656\nTl Sn S\n16 4 12\ndirect\n0.145966 0.155633 0.602367 Tl\n0.854034 0.155633 0.102367 Tl\n0.145966 0.844367 0.102367 Tl\n0.155633 0.854034 0.397633 Tl\n0.844367 0.145966 0.397633 Tl\n0.344367 0.354034 0.102367 Tl\n0.645966 0.655634 0.397633 Tl\n0.354034 0.344367 0.397633 Tl\n0.655634 0.645966 0.102367 Tl\n0.645966 0.344367 0.897634 Tl\n0.354034 0.655634 0.897634 Tl\n0.344367 0.645966 0.602367 Tl\n0.655634 0.354034 0.602367 Tl\n0.155633 0.145966 0.897634 Tl\n0.854034 0.844367 0.602367 Tl\n0.844367 0.854034 0.897634 Tl\n0.500000 0.000000 0.743406 Sn\n0.000000 0.500000 0.756594 Sn\n0.000000 0.500000 0.256594 Sn\n0.500000 0.000000 0.243406 Sn\n0.000000 0.500000 0.570054 S\n0.666631 0.333370 0.250000 S\n0.500000 0.000000 0.429946 S\n0.166631 0.166631 0.250000 S\n0.833370 0.833370 0.250000 S\n0.166631 0.833370 0.750000 S\n0.833370 0.166631 0.750000 S\n0.333370 0.333370 0.750000 S\n0.666631 0.666631 0.750000 S\n0.000000 0.500000 0.070054 S\n0.333370 0.666631 0.250000 S\n0.500000 0.000000 0.929946 S\n",
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{
"id": "jvasp-112056",
"created_at": "2022-09-04T14:38:44.058877Z",
"updated_at": "2022-09-04T14:38:44.058905Z",
"structure_string": "H12 C14 S2 N4\n1.0\n5.449074 0.015182 0.030190\n0.200088 7.254472 0.112026\n-0.066141 0.113825 7.771132\nH C S N\n12 14 2 4\ndirect\n0.027897 0.883675 0.372696 H\n0.808202 0.615772 0.581624 H\n0.823142 0.641695 0.899276 H\n0.543280 0.381594 0.906953 H\n0.532446 0.362812 0.591080 H\n0.339718 0.379148 0.360236 H\n0.391187 0.461611 0.135350 H\n0.842917 0.140280 0.893096 H\n0.976902 0.970936 0.138104 H\n0.562253 0.881637 0.933074 H\n0.576559 0.860017 0.613197 H\n0.857314 0.116768 0.573471 H\n0.168929 0.488455 0.564695 C\n0.970260 0.567038 0.652774 C\n0.977825 0.580207 0.831970 C\n0.182838 0.511968 0.924809 C\n0.383379 0.435401 0.835019 C\n0.377085 0.424437 0.658826 C\n0.069336 0.532359 0.243790 C\n0.411772 0.938673 0.853765 C\n0.004315 0.080685 0.830637 C\n0.201327 0.012076 0.932362 C\n0.419426 0.926167 0.674671 C\n0.218081 0.987232 0.574502 C\n0.300635 0.018106 0.253152 C\n0.012406 0.068040 0.653216 C\n0.573726 0.124398 0.253452 S\n0.788788 0.639053 0.241490 S\n0.185977 0.459044 0.387322 N\n0.190711 0.946818 0.396622 N\n0.155903 0.001270 0.111395 N\n0.217786 0.510446 0.103982 N\n",
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{
"id": "jvasp-23187",
"created_at": "2022-09-04T14:37:51.988793Z",
"updated_at": "2022-09-04T14:37:51.988826Z",
"structure_string": "Co4 Se8 O20\n1.0\n5.862316 -0.000000 0.000000\n-0.000000 6.838903 0.000000\n0.000000 0.000000 10.128728\nCo Se O\n4 8 20\ndirect\n0.250000 0.000000 0.937116 Co\n0.750001 0.500000 0.562884 Co\n0.750001 0.000000 0.062884 Co\n0.250000 0.500000 0.437116 Co\n0.514922 0.366723 0.844817 Se\n0.485079 0.866723 0.655184 Se\n0.985079 0.633277 0.844817 Se\n0.014922 0.133277 0.655184 Se\n0.514922 0.133277 0.344816 Se\n0.985079 0.866723 0.344816 Se\n0.485079 0.633277 0.155184 Se\n0.014922 0.366723 0.155184 Se\n0.250000 0.000000 0.566731 O\n0.853576 0.689832 0.698167 O\n0.353576 0.810167 0.801833 O\n0.853576 0.810167 0.198167 O\n0.353576 0.689832 0.301833 O\n0.146425 0.310168 0.301833 O\n0.646425 0.189832 0.198167 O\n0.750001 0.500000 0.933269 O\n0.250000 0.500000 0.066731 O\n0.451747 0.857333 0.071478 O\n0.548254 0.142667 0.928522 O\n0.048253 0.357333 0.571479 O\n0.451747 0.642666 0.571479 O\n0.951747 0.857333 0.928522 O\n0.646425 0.310168 0.698167 O\n0.951747 0.642666 0.428522 O\n0.548254 0.357333 0.428522 O\n0.048253 0.142667 0.071478 O\n0.750001 0.000000 0.433269 O\n0.146425 0.189832 0.801833 O\n",
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{
"id": "jvasp-31153",
"created_at": "2022-09-04T14:37:59.660833Z",
"updated_at": "2022-09-04T14:37:59.660852Z",
"structure_string": "Na2 Al2 B28\n1.0\n5.835305 0.280962 0.220984\n2.597839 6.788544 0.104847\n2.597839 1.701394 6.572715\nNa Al B\n2 2 28\ndirect\n0.750001 0.097976 0.902023 Na\n0.250000 0.902022 0.097977 Na\n0.000000 0.499999 0.500001 Al\n0.500001 0.499999 0.500000 Al\n0.329429 0.876886 0.464898 B\n0.914790 0.418052 0.252377 B\n0.853239 0.271739 0.521783 B\n0.833897 0.698466 0.133735 B\n0.900004 0.276721 0.102650 B\n0.670573 0.123113 0.535103 B\n0.671217 0.535096 0.123119 B\n0.720647 0.102643 0.276727 B\n0.414790 0.252377 0.418053 B\n0.353238 0.521783 0.271739 B\n0.333896 0.133735 0.698467 B\n0.166105 0.301532 0.866265 B\n0.146763 0.728260 0.478217 B\n0.085211 0.581946 0.747623 B\n0.400003 0.102650 0.276721 B\n0.171216 0.123119 0.535097 B\n0.779356 0.723272 0.897357 B\n0.220646 0.276726 0.102644 B\n0.828785 0.876880 0.464903 B\n0.829429 0.464896 0.876887 B\n0.599999 0.897348 0.723279 B\n0.666105 0.866264 0.301533 B\n0.646763 0.478215 0.728261 B\n0.585212 0.747622 0.581948 B\n0.279355 0.897355 0.723274 B\n0.328785 0.464902 0.876882 B\n0.099998 0.723277 0.897350 B\n0.170572 0.535103 0.123113 B\n",
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{
"id": "jvasp-23132",
"created_at": "2022-09-04T14:37:42.137853Z",
"updated_at": "2022-09-04T14:37:42.137872Z",
"structure_string": "Nd8 Si4 Te4 O16\n1.0\n6.356893 -0.000000 0.000000\n0.000000 7.233075 0.000000\n0.000000 0.000000 11.270589\nNd Si Te O\n8 4 4 16\ndirect\n0.388895 0.750000 0.500000 Nd\n0.388895 0.750000 0.000000 Nd\n0.611105 0.250000 0.500000 Nd\n0.611105 0.250000 0.000000 Nd\n0.886525 0.962402 0.750000 Nd\n0.886525 0.537597 0.250000 Nd\n0.113475 0.462402 0.750000 Nd\n0.113475 0.037598 0.250000 Nd\n0.112680 0.250000 0.000000 Si\n0.887319 0.750000 0.000000 Si\n0.887319 0.750000 0.500000 Si\n0.112680 0.250000 0.500000 Si\n0.401486 0.076085 0.750000 Te\n0.401486 0.423915 0.250000 Te\n0.598514 0.576084 0.750000 Te\n0.598514 0.923915 0.250000 Te\n0.950716 0.268638 0.384536 O\n0.950716 0.231362 0.615465 O\n0.950716 0.231362 0.884536 O\n0.950716 0.268638 0.115465 O\n0.049284 0.768637 0.115465 O\n0.049284 0.768637 0.384536 O\n0.268428 0.076538 0.035802 O\n0.268428 0.423462 0.964199 O\n0.731572 0.923462 0.535802 O\n0.731572 0.923462 0.964199 O\n0.731572 0.576537 0.035802 O\n0.268428 0.423462 0.535802 O\n0.268428 0.076538 0.464198 O\n0.049284 0.731362 0.884536 O\n0.731572 0.576537 0.464198 O\n0.049284 0.731362 0.615465 O\n",
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{
"id": "jvasp-29500",
"created_at": "2022-09-04T14:37:58.368884Z",
"updated_at": "2022-09-04T14:37:58.368906Z",
"structure_string": "Zn8 Se4 Cl8 O12\n1.0\n7.652469 0.089822 0.000000\n-1.243772 7.530512 0.000000\n0.000000 0.000000 10.343143\nZn Se Cl O\n8 4 8 12\ndirect\n0.886338 0.234909 0.987908 Zn\n0.879101 0.923337 0.723909 Zn\n0.613662 0.765090 0.487908 Zn\n0.620900 0.076662 0.223909 Zn\n0.113662 0.765090 0.012092 Zn\n0.120900 0.076662 0.276091 Zn\n0.379101 0.923337 0.776091 Zn\n0.386338 0.234909 0.512092 Zn\n0.312705 0.190587 0.032371 Se\n0.812705 0.190587 0.467629 Se\n0.187295 0.809412 0.532371 Se\n0.687295 0.809412 0.967629 Se\n0.271445 0.590070 0.904656 Cl\n0.035928 0.765821 0.221408 Cl\n0.228555 0.409929 0.404656 Cl\n0.535928 0.765821 0.278592 Cl\n0.728555 0.409929 0.095344 Cl\n0.771445 0.590070 0.595344 Cl\n0.964072 0.234179 0.778592 Cl\n0.464072 0.234179 0.721408 Cl\n0.282214 0.984999 0.953159 O\n0.874326 0.122754 0.315894 O\n0.900106 0.804390 0.910593 O\n0.717786 0.015000 0.046841 O\n0.400106 0.804390 0.589407 O\n0.217786 0.015000 0.453159 O\n0.782214 0.984999 0.546841 O\n0.125674 0.877246 0.684106 O\n0.599894 0.195610 0.410593 O\n0.625674 0.877246 0.815893 O\n0.099894 0.195610 0.089407 O\n0.374326 0.122754 0.184106 O\n",
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],
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{
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"created_at": "2022-09-04T14:37:43.362745Z",
"updated_at": "2022-09-04T14:37:43.362764Z",
"structure_string": "Li4 Ti4 As4 O20\n1.0\n6.661844 -0.000000 0.000000\n-0.000000 7.500534 0.000000\n0.000000 0.000000 7.554462\nLi Ti As O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.750000 0.225315 0.337523 Ti\n0.250000 0.774685 0.662477 Ti\n0.250000 0.725315 0.162477 Ti\n0.750000 0.274685 0.837523 Ti\n0.250000 0.367518 0.872842 As\n0.750000 0.632482 0.127157 As\n0.250000 0.132482 0.372843 As\n0.750000 0.867518 0.627157 As\n0.250000 0.667560 0.384920 O\n0.750000 0.511034 0.934728 O\n0.250000 0.488965 0.065272 O\n0.750000 0.502406 0.314869 O\n0.250000 0.497593 0.685131 O\n0.250000 0.002406 0.185131 O\n0.750000 -0.002406 0.814869 O\n0.750000 0.332440 0.615080 O\n0.250000 0.832439 0.884920 O\n0.455286 0.268339 0.374261 O\n0.455286 0.231660 0.874261 O\n0.955285 0.768339 0.125739 O\n0.544714 0.731660 0.625738 O\n0.044714 0.268339 0.374261 O\n0.750000 0.988965 0.434728 O\n0.044714 0.231660 0.874261 O\n0.544714 0.768339 0.125739 O\n0.955285 0.731660 0.625738 O\n0.750000 0.167560 0.115080 O\n0.250000 0.011035 0.565272 O\n",
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{
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"created_at": "2022-09-04T14:37:52.241370Z",
"updated_at": "2022-09-04T14:37:52.241393Z",
"structure_string": "Ag4 Te4 N4 O20\n1.0\n5.373362 -0.000000 0.000000\n0.000000 5.569491 0.000000\n0.000000 0.000000 14.100129\nAg Te N O\n4 4 4 20\ndirect\n0.250000 0.500000 0.613787 Ag\n0.750000 0.500000 0.386213 Ag\n0.250000 0.000000 0.113787 Ag\n0.750000 0.000000 0.886213 Ag\n0.750000 0.000000 0.564055 Te\n0.250000 0.000000 0.435945 Te\n0.250000 0.500000 0.935945 Te\n0.750000 0.500000 0.064055 Te\n0.250000 0.500000 0.255472 N\n0.250000 0.000000 0.755472 N\n0.750000 0.500000 0.744528 N\n0.750000 0.000000 0.244528 N\n0.609168 0.355735 0.788473 O\n0.437225 0.207390 0.523015 O\n0.437225 0.292610 0.023015 O\n0.062774 0.792610 0.523015 O\n0.250000 0.000000 0.846330 O\n0.890831 0.644264 0.788473 O\n0.750000 0.000000 0.153670 O\n0.062774 0.707389 0.023015 O\n0.250000 0.500000 0.346330 O\n0.390831 0.644264 0.211527 O\n0.609168 0.144264 0.288473 O\n0.390831 0.855735 0.711527 O\n0.109169 0.355735 0.211527 O\n0.562774 0.707389 0.976985 O\n0.562774 0.792610 0.476985 O\n0.890831 0.855735 0.288473 O\n0.109169 0.144264 0.711527 O\n0.937225 0.292610 0.976985 O\n0.750000 0.500000 0.653670 O\n0.937225 0.207390 0.476985 O\n",
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{
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"elements": [
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],
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"density": 7.119798297603864,
"density_atomic": 0.03834043748295339,
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"formula_full": "Hg12 Sb4 As4 S12",
"formula_reduced": "Hg3SbAsS3",
"formula_anonymous": "ABC3D3",
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},
{
"id": "jvasp-24769",
"created_at": "2022-09-04T14:38:03.485224Z",
"updated_at": "2022-09-04T14:38:03.485248Z",
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"elements": [
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],
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"density": 3.9628381077033623,
"density_atomic": 0.029989398870317797,
"volume": 1067.0437289649112,
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"formula_full": "Rb8 As8 Se16",
"formula_reduced": "RbAsSe2",
"formula_anonymous": "ABC2",
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"spacegroup": 15
},
{
"id": "jvasp-97858",
"created_at": "2022-09-04T14:37:41.215123Z",
"updated_at": "2022-09-04T14:37:41.215146Z",
"structure_string": "B4 N4 O8 F16\n1.0\n6.191948 0.000000 -1.479603\n0.000000 6.745389 0.000000\n0.200659 0.000000 9.055710\nB N O F\n4 4 8 16\ndirect\n0.258620 0.805326 0.502935 B\n0.258619 0.694675 0.002935 B\n0.741381 0.305326 0.997066 B\n0.741381 0.194675 0.497066 B\n0.239628 0.239883 0.242265 N\n0.239628 0.260117 0.742265 N\n0.760373 0.760117 0.757736 N\n0.760373 0.739883 0.257736 N\n0.658859 0.826108 0.834902 O\n0.341141 0.326107 0.665099 O\n0.137140 0.194448 0.818967 O\n0.137140 0.305552 0.318967 O\n0.862860 0.805552 0.181033 O\n0.341141 0.173893 0.165099 O\n0.658859 0.673893 0.334902 O\n0.862861 0.694449 0.681033 O\n0.555516 0.308556 0.439556 F\n0.083172 0.824929 0.954715 F\n0.444484 0.808556 0.060444 F\n0.785196 0.431423 0.882054 F\n0.916828 0.175071 0.045285 F\n0.444484 0.691444 0.560444 F\n0.290892 0.919223 0.378165 F\n0.214805 0.568577 0.117946 F\n0.083172 0.675071 0.454715 F\n0.709109 0.419223 0.121835 F\n0.555516 0.191444 0.939556 F\n0.214805 0.931423 0.617946 F\n0.785196 0.068577 0.382054 F\n0.709109 0.080777 0.621835 F\n0.290892 0.580778 0.878165 F\n0.916828 0.324929 0.545285 F\n",
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],
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}
]
}