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{
"id": "jvasp-30323",
"created_at": "2022-09-04T14:38:05.229471Z",
"updated_at": "2022-09-04T14:38:05.229497Z",
"structure_string": "Mn2 C2 S2 O14\n1.0\n7.825721 0.000000 0.348922\n0.000000 6.140456 0.000000\n0.352792 0.000000 5.020548\nMn C S O\n2 2 2 14\ndirect\n0.306785 0.750000 0.792575 Mn\n0.693215 0.250000 0.207425 Mn\n0.019344 0.750000 0.712248 C\n0.980656 0.250000 0.287751 C\n0.416911 0.250000 0.738893 S\n0.583088 0.750000 0.261106 S\n0.840006 0.250000 0.470625 O\n0.696514 0.938452 0.190467 O\n0.696514 0.561549 0.190467 O\n0.567443 0.250000 0.886995 O\n0.523299 0.750000 0.551611 O\n0.476700 0.250000 0.448388 O\n0.303486 0.061548 0.809533 O\n0.303486 0.438452 0.809533 O\n0.920091 0.250000 0.047454 O\n0.159994 0.750000 0.529374 O\n0.079909 0.750000 0.952546 O\n0.128818 0.250000 0.333021 O\n0.432557 0.750000 0.113005 O\n0.871181 0.750000 0.666979 O\n",
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{
"id": "jvasp-43039",
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"updated_at": "2022-09-04T14:38:05.272334Z",
"structure_string": "Li6 Cr2 Si2 C2 O14\n1.0\n0.000000 4.964905 0.016574\n6.376795 0.000000 0.000000\n0.000000 -0.717016 -8.234738\nLi Cr Si C O\n6 2 2 2 14\ndirect\n0.219352 0.749999 0.109002 Li\n0.756628 0.971322 0.287360 Li\n0.756628 0.528677 0.287360 Li\n0.243371 0.471323 0.712641 Li\n0.243371 0.028677 0.712641 Li\n0.780647 0.250000 0.890999 Li\n0.197227 0.250000 0.320997 Cr\n0.802771 0.749999 0.679004 Cr\n0.718423 0.250000 0.579259 Si\n0.281575 0.749999 0.420741 Si\n0.306515 0.250000 0.032927 C\n0.693483 0.749999 0.967074 C\n0.510959 0.749999 0.843830 O\n0.824548 0.054849 0.698975 O\n0.824548 0.445150 0.698975 O\n0.383717 0.250000 0.545043 O\n0.157464 0.749999 0.596606 O\n0.842534 0.250000 0.403395 O\n0.628690 0.749999 0.113658 O\n0.175450 0.554849 0.301026 O\n0.175450 0.945150 0.301026 O\n0.489040 0.250000 0.156171 O\n0.057166 0.250000 0.070085 O\n0.942833 0.749999 0.929916 O\n0.616281 0.749999 0.454958 O\n0.371308 0.250000 0.886343 O\n",
"nsites": 26,
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"elements": [
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"formula_full": "Li6 Cr2 Si2 C2 O14",
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{
"id": "jvasp-9455",
"created_at": "2022-09-04T14:38:05.442269Z",
"updated_at": "2022-09-04T14:38:05.442304Z",
"structure_string": "Ca4 Co4 O8\n1.0\n3.245027 -0.001667 -0.002177\n0.003644 6.930588 0.227930\n0.006218 1.055417 8.552747\nCa Co O\n4 4 8\ndirect\n0.741937 0.755265 0.965035 Ca\n0.241940 0.216535 0.055047 Ca\n0.741947 0.886403 0.349212 Ca\n0.241933 0.085394 0.670872 Ca\n0.741946 0.417917 0.759713 Co\n0.241941 0.653134 0.650504 Co\n0.741948 0.318661 0.369579 Co\n0.241939 0.553882 0.260371 Co\n0.741945 0.435076 0.152285 O\n0.741939 0.313838 0.578181 O\n0.241945 0.657957 0.441901 O\n0.241934 0.536722 0.867798 O\n0.741937 0.139004 0.885151 O\n0.741934 0.842363 0.665606 O\n0.241945 0.832795 0.134932 O\n0.241949 0.129437 0.354476 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.54239918411094,
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"volume": 191.57031867523992,
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"formula_full": "Ca4 Co4 O8",
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"spacegroup": 11
},
{
"id": "jvasp-46819",
"created_at": "2022-09-04T14:38:05.761484Z",
"updated_at": "2022-09-04T14:38:05.761514Z",
"structure_string": "Na4 P2 Ru2 C2 O14\n1.0\n0.000000 5.146624 0.027932\n6.513640 0.000000 0.000000\n0.000000 -0.234163 -9.015051\nNa P Ru C O\n4 2 2 2 14\ndirect\n0.758910 0.989593 0.239895 Na\n0.758910 0.510407 0.239895 Na\n0.241090 0.489593 0.760105 Na\n0.241090 0.010407 0.760105 Na\n0.290520 0.750000 0.417612 P\n0.709480 0.250000 0.582388 P\n0.211373 0.250000 0.343610 Ru\n0.788627 0.750000 0.656390 Ru\n0.289161 0.250000 0.071503 C\n0.710839 0.750000 0.928497 C\n0.522916 0.750000 0.823475 O\n0.797989 0.061271 0.676223 O\n0.797989 0.438729 0.676223 O\n0.160378 0.750000 0.569875 O\n0.407866 0.250000 0.559248 O\n0.592134 0.750000 0.440752 O\n0.058061 0.250000 0.130892 O\n0.202011 0.561271 0.323777 O\n0.202011 0.938729 0.323777 O\n0.477084 0.250000 0.176525 O\n0.941939 0.750000 0.869108 O\n0.670862 0.750000 0.063673 O\n0.839622 0.250000 0.430125 O\n0.329138 0.250000 0.936327 O\n",
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"formula_full": "Na4 P2 Ru2 C2 O14",
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{
"id": "jvasp-44651",
"created_at": "2022-09-04T14:38:05.816051Z",
"updated_at": "2022-09-04T14:38:05.816078Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n0.000000 4.676939 0.036354\n5.647329 0.000000 0.000000\n0.000000 -0.195087 -9.623738\nMn Fe P O\n2 2 4 16\ndirect\n0.567275 0.250000 0.229846 Mn\n0.432725 0.750000 0.770155 Mn\n0.945526 0.250000 0.728145 Fe\n0.054474 0.750000 0.271856 Fe\n0.883362 0.750000 0.584212 P\n0.612822 0.750000 0.091640 P\n0.387177 0.250000 0.908360 P\n0.116638 0.250000 0.415789 P\n0.260646 0.465654 0.339867 O\n0.209659 0.750000 0.607899 O\n0.293886 0.750000 0.115156 O\n0.219682 0.040482 0.832255 O\n0.219682 0.459518 0.832255 O\n0.333794 0.250000 0.064250 O\n0.666206 0.750000 0.935751 O\n0.790341 0.250000 0.392102 O\n0.780318 0.959518 0.167746 O\n0.706114 0.250000 0.884844 O\n0.260646 0.034346 0.339867 O\n0.739353 0.534346 0.660133 O\n0.739353 0.965654 0.660133 O\n0.815510 0.750000 0.428469 O\n0.780318 0.540482 0.167746 O\n0.184490 0.250000 0.571532 O\n",
"nsites": 24,
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],
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"formula_full": "Mn2 Fe2 P4 O16",
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"formula_anonymous": "ABC2D8",
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},
{
"id": "jvasp-12902",
"created_at": "2022-09-04T14:38:05.900997Z",
"updated_at": "2022-09-04T14:38:05.901020Z",
"structure_string": "K6 Al4 As6\n1.0\n0.000000 7.516089 0.033790\n6.013708 0.000000 0.000000\n0.000000 -3.619703 -9.882201\nK Al As\n6 4 6\ndirect\n0.442198 0.250000 0.577801 K\n0.137190 0.750000 0.073603 K\n0.476099 0.750000 0.851910 K\n0.523901 0.250000 0.148090 K\n0.557802 0.750000 0.422199 K\n0.862810 0.250000 0.926397 K\n0.026425 -0.000093 0.658924 Al\n0.973576 0.499907 0.341076 Al\n0.026425 0.500093 0.658924 Al\n0.973576 0.000093 0.341076 Al\n0.808533 0.250000 0.468590 As\n0.191468 0.750000 0.531410 As\n0.256873 0.250000 0.822792 As\n0.743128 0.750000 0.177208 As\n0.161146 0.250000 0.251837 As\n0.838855 0.750000 0.748163 As\n",
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"volume": 445.93564676745876,
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"formula_full": "K6 Al4 As6",
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{
"id": "jvasp-44453",
"created_at": "2022-09-04T14:38:06.226515Z",
"updated_at": "2022-09-04T14:38:06.226537Z",
"structure_string": "Li4 Fe2 Si2 C2 O14\n1.0\n0.000000 5.127399 -0.022356\n6.155897 0.000000 0.000000\n0.000000 -0.376353 -8.444556\nLi Fe Si C O\n4 2 2 2 14\ndirect\n0.780593 0.476216 0.214714 Li\n0.780593 0.023784 0.214714 Li\n0.219407 0.523784 0.785287 Li\n0.219407 0.976216 0.785287 Li\n0.208070 0.250000 0.346003 Fe\n0.791930 0.750000 0.653998 Fe\n0.295087 0.750000 0.435559 Si\n0.704914 0.250000 0.564442 Si\n0.275231 0.250000 0.047070 C\n0.724769 0.750000 0.952931 C\n0.520990 0.750000 0.856985 O\n0.801934 0.042549 0.673501 O\n0.801934 0.457452 0.673501 O\n0.175785 0.750000 0.610960 O\n0.381718 0.250000 0.539047 O\n0.618282 0.750000 0.460954 O\n0.051051 0.250000 0.117981 O\n0.198067 0.542549 0.326500 O\n0.198067 0.957452 0.326500 O\n0.479010 0.250000 0.143016 O\n0.948950 0.750000 0.882020 O\n0.715735 0.750000 0.102496 O\n0.824216 0.250000 0.389041 O\n0.284266 0.250000 0.897505 O\n",
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},
{
"id": "jvasp-44367",
"created_at": "2022-09-04T14:38:06.444545Z",
"updated_at": "2022-09-04T14:38:06.444584Z",
"structure_string": "Li4 V2 B2 P2 O14\n1.0\n0.000000 5.173768 -0.048194\n6.147378 0.000000 0.000000\n0.000000 -0.523144 -8.679864\nLi V B P O\n4 2 2 2 14\ndirect\n0.744056 0.473527 0.193062 Li\n0.744056 0.026473 0.193062 Li\n0.255946 0.526473 0.806937 Li\n0.255946 0.973527 0.806937 Li\n0.204253 0.250000 0.323637 V\n0.795748 0.750000 0.676362 V\n0.256963 0.250000 0.050656 B\n0.743038 0.750000 0.949343 B\n0.289713 0.750000 0.439644 P\n0.710288 0.250000 0.560355 P\n0.540884 0.750000 0.830516 O\n0.799079 0.052560 0.660602 O\n0.799079 0.447440 0.660602 O\n0.154637 0.750000 0.593104 O\n0.415948 0.250000 0.530325 O\n0.584054 0.750000 0.469674 O\n0.019763 0.250000 0.128360 O\n0.200922 0.552561 0.339398 O\n0.200922 0.947440 0.339398 O\n0.459117 0.250000 0.169484 O\n0.980238 0.750000 0.871639 O\n0.715506 0.750000 0.099087 O\n0.845364 0.250000 0.406895 O\n0.284495 0.250000 0.900912 O\n",
"nsites": 24,
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"formula_full": "Li4 V2 B2 P2 O14",
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},
{
"id": "jvasp-36829",
"created_at": "2022-09-04T14:38:06.668263Z",
"updated_at": "2022-09-04T14:38:06.668282Z",
"structure_string": "Cu2 Bi2 O4\n1.0\n0.000000 6.140637 0.001774\n3.629771 0.000000 0.000000\n0.000000 -2.936026 -5.953124\nCu Bi O\n2 2 4\ndirect\n0.028908 0.250000 0.669371 Cu\n0.971092 0.750000 0.330629 Cu\n0.425183 0.250000 0.231064 Bi\n0.574816 0.750000 0.768936 Bi\n0.362918 0.250000 0.805264 O\n0.298417 0.750000 0.411939 O\n0.701583 0.250000 0.588061 O\n0.637081 0.750000 0.194736 O\n",
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],
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"volume": 132.67090678802361,
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"formula_full": "Cu2 Bi2 O4",
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"spacegroup": 11
},
{
"id": "jvasp-46447",
"created_at": "2022-09-04T14:38:06.692272Z",
"updated_at": "2022-09-04T14:38:06.692297Z",
"structure_string": "Na4 V2 B2 P2 O14\n1.0\n0.000000 5.388947 -0.025106\n6.372298 0.000000 0.000000\n0.000000 -0.400814 -9.062595\nNa V B P O\n4 2 2 2 14\ndirect\n0.766774 -0.001218 0.221207 Na\n0.766774 0.501218 0.221207 Na\n0.233227 0.498783 0.778793 Na\n0.233227 0.001218 0.778793 Na\n0.219954 0.250000 0.335332 V\n0.780047 0.750000 0.664667 V\n0.284735 0.250000 0.076459 B\n0.715266 0.750000 0.923541 B\n0.277226 0.750000 0.438733 P\n0.722775 0.250000 0.561267 P\n0.532872 0.750000 0.802094 O\n0.797514 0.054362 0.655112 O\n0.797514 0.445638 0.655112 O\n0.130448 0.750000 0.580686 O\n0.438602 0.250000 0.526820 O\n0.561399 0.750000 0.473180 O\n0.053597 0.250000 0.148386 O\n0.202488 0.554363 0.344888 O\n0.202488 0.945638 0.344888 O\n0.467129 0.250000 0.197906 O\n0.946404 0.750000 0.851614 O\n0.674346 0.750000 0.063840 O\n0.869553 0.250000 0.419314 O\n0.325655 0.250000 0.936160 O\n",
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"volume": 311.2734199130067,
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"formula_full": "Na4 V2 B2 P2 O14",
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},
{
"id": "jvasp-36831",
"created_at": "2022-09-04T14:38:06.975835Z",
"updated_at": "2022-09-04T14:38:06.975866Z",
"structure_string": "Bi2 Au2 O4\n1.0\n0.000000 6.487169 0.012445\n3.671614 0.000000 0.000000\n0.000000 -2.897291 -5.975772\nBi Au O\n2 2 4\ndirect\n0.926680 0.749999 0.228763 Bi\n0.073320 0.250000 0.771235 Bi\n0.529585 0.749999 0.693973 Au\n0.470415 0.250000 0.306026 Au\n0.123535 0.250000 0.188146 O\n0.814221 0.250000 0.408565 O\n0.185779 0.749999 0.591434 O\n0.876465 0.749999 0.811853 O\n",
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],
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"formula_full": "Bi2 Au2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 11
},
{
"id": "jvasp-36986",
"created_at": "2022-09-04T14:38:07.124998Z",
"updated_at": "2022-09-04T14:38:07.125011Z",
"structure_string": "Tl2 Ge2 Cl6\n1.0\n0.000000 5.723479 -0.339915\n6.940941 0.000000 0.000000\n0.000000 -2.352377 -7.111246\nTl Ge Cl\n2 2 6\ndirect\n0.674901 0.250000 0.791656 Tl\n0.325098 0.750000 0.208344 Tl\n0.924043 0.250000 0.387872 Ge\n0.075956 0.750000 0.612128 Ge\n0.803469 -0.001848 0.172532 Cl\n0.196530 0.498152 0.827468 Cl\n0.672684 0.750000 0.638677 Cl\n0.327316 0.250000 0.361323 Cl\n0.196530 0.001848 0.827468 Cl\n0.803469 0.501848 0.172532 Cl\n",
"nsites": 10,
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"elements": [
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],
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"formula_full": "Tl2 Ge2 Cl6",
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"formula_anonymous": "ABC3",
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"spacegroup": 11
}
]
}