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{
"id": "jvasp-28702",
"created_at": "2022-09-04T14:38:13.248107Z",
"updated_at": "2022-09-04T14:38:13.248122Z",
"structure_string": "Mo2 W2 Se2 S6\n1.0\n3.223532 0.000000 0.000000\n-1.611766 2.791650 -0.000009\n0.000000 -0.000098 34.107397\nMo W Se S\n2 2 2 6\ndirect\n0.333320 0.666643 0.093497 Mo\n0.666672 0.333346 0.282411 Mo\n0.333325 0.666654 0.471970 W\n0.666676 0.333355 0.655036 W\n0.333342 0.666687 0.332566 Se\n0.333331 0.666666 0.232253 Se\n0.333347 0.666699 0.700880 S\n0.666652 0.333304 0.047904 S\n0.666655 0.333311 0.426078 S\n0.666660 0.333321 0.139150 S\n0.666667 0.333336 0.517845 S\n0.333337 0.666678 0.609159 S\n",
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{
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{
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"updated_at": "2022-09-04T14:37:33.878803Z",
"structure_string": "Li2 Be2 B2 O6\n1.0\n4.639841 0.001593 0.003013\n2.267852 4.114677 -0.015198\n1.826048 1.498429 5.352627\nLi Be B O\n2 2 2 6\ndirect\n0.745700 0.127963 0.663418 Li\n0.254299 0.872038 0.336582 Li\n0.360050 0.727304 0.841728 Be\n0.639949 0.272697 0.158271 Be\n0.072147 0.403006 0.767233 B\n0.927853 0.596994 0.232767 B\n0.332695 0.099758 0.759517 O\n0.667304 0.900242 0.240482 O\n0.124803 0.690483 0.706552 O\n0.875197 0.309517 0.293448 O\n0.744800 0.422385 0.837957 O\n0.255200 0.577616 0.162042 O\n",
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],
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"volume": 102.26327737411376,
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{
"id": "jvasp-85787",
"created_at": "2022-09-04T14:38:08.708319Z",
"updated_at": "2022-09-04T14:38:08.708351Z",
"structure_string": "Ba2 Ca2 C2 O6\n1.0\n5.240012 0.000000 0.000000\n-2.620006 4.538041 0.000000\n0.000000 0.000000 13.161489\nBa Ca C O\n2 2 2 6\ndirect\n0.666699 0.333399 0.502726 Ba\n0.333300 0.666601 0.002726 Ba\n0.666631 0.333262 0.805131 Ca\n0.333368 0.666738 0.305131 Ca\n-0.000032 -0.000065 0.922121 C\n0.000032 0.000065 0.422121 C\n0.857327 0.714656 0.924009 O\n0.285250 0.142572 0.924007 O\n0.857321 0.142572 0.924007 O\n0.142672 0.285344 0.424009 O\n0.714749 0.857428 0.424007 O\n0.142677 0.857428 0.424007 O\n",
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"volume": 312.9721706524972,
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"formula_full": "Ba2 Ca2 C2 O6",
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{
"id": "jvasp-28982",
"created_at": "2022-09-04T14:37:32.567771Z",
"updated_at": "2022-09-04T14:37:32.567788Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n3.453266 -0.000000 0.000001\n-1.726633 2.990654 0.000025\n0.000014 0.000337 39.335739\nTe Mo W S\n6 2 2 2\ndirect\n0.333360 0.666720 0.704915 Te\n0.666642 0.333282 0.046786 Te\n0.666649 0.333296 0.422406 Te\n0.666643 0.333283 0.141145 Te\n0.666649 0.333296 0.516813 Te\n0.333354 0.666708 0.610173 Te\n0.333314 0.666626 0.093858 Mo\n0.333296 0.666593 0.469663 Mo\n0.666697 0.333396 0.281772 W\n0.666690 0.333379 0.657623 W\n0.333356 0.666712 0.319837 S\n0.333353 0.666705 0.243756 S\n",
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"volume": 406.2407797378969,
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"formula_full": "Te6 Mo2 W2 S2",
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{
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"created_at": "2022-09-04T14:37:19.787667Z",
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"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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"formula_full": "Mo2 W2 Se6 S2",
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{
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"created_at": "2022-09-04T14:36:10.843143Z",
"updated_at": "2022-09-04T14:36:10.843161Z",
"structure_string": "Ag1 Bi1 Te3 Pb1\n1.0\n5.787206 -0.008114 -5.101683\n-0.588802 4.238142 -6.419538\n0.004353 0.008114 7.714850\nAg Bi Te Pb\n1 1 3 1\ndirect\n0.002116 0.002116 0.000000 Ag\n0.327863 0.327863 0.000000 Bi\n0.492963 0.992962 0.500000 Te\n0.155562 0.655561 0.499999 Te\n0.847478 0.347478 0.500001 Te\n0.674022 0.674022 0.000001 Pb\n",
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{
"id": "jvasp-11367",
"created_at": "2022-09-04T14:37:05.149873Z",
"updated_at": "2022-09-04T14:37:05.149904Z",
"structure_string": "Ba2 Er2 Cu2 S6\n1.0\n3.999366 0.000000 0.000000\n-1.999684 6.753793 0.000000\n-0.000000 -0.000000 10.132289\nBa Er Cu S\n2 2 2 6\ndirect\n0.744196 0.488390 0.250000 Ba\n0.255806 0.511609 0.750000 Ba\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.532970 0.065939 0.750000 Cu\n0.467032 0.934060 0.250000 Cu\n0.934333 0.868661 0.750000 S\n0.065669 0.131338 0.250000 S\n0.631732 0.263463 0.559492 S\n0.631732 0.263463 0.940509 S\n0.368270 0.736537 0.059492 S\n0.368270 0.736537 0.440508 S\n",
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{
"id": "jvasp-29358",
"created_at": "2022-09-04T14:37:58.537774Z",
"updated_at": "2022-09-04T14:37:58.537798Z",
"structure_string": "Y4 Cu4 Pb4 S12\n1.0\n3.930661 0.000000 0.000000\n0.000000 10.257310 0.000000\n0.000000 0.000000 12.987701\nY Cu Pb S\n4 4 4 12\ndirect\n0.750000 0.517486 0.759258 Y\n0.250000 0.482515 0.240742 Y\n0.750000 0.017485 0.740742 Y\n0.250000 0.982515 0.259258 Y\n0.750000 0.235694 0.219605 Cu\n0.250000 0.764306 0.780395 Cu\n0.750000 0.735694 0.280395 Cu\n0.250000 0.264306 0.719605 Cu\n0.750000 0.778075 0.999624 Pb\n0.250000 0.221925 0.000376 Pb\n0.750000 0.278075 0.500376 Pb\n0.250000 0.721925 0.499624 Pb\n0.750000 0.411880 0.106939 S\n0.750000 0.763505 0.673491 S\n0.250000 0.236495 0.326509 S\n0.750000 0.263505 0.826509 S\n0.250000 0.736495 0.173491 S\n0.750000 0.546638 0.382555 S\n0.250000 0.453362 0.617445 S\n0.750000 0.046638 0.117445 S\n0.250000 0.953362 0.882555 S\n0.750000 0.911880 0.393061 S\n0.250000 0.088120 0.606939 S\n0.250000 0.588120 0.893061 S\n",
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{
"id": "jvasp-28844",
"created_at": "2022-09-04T14:37:05.999295Z",
"updated_at": "2022-09-04T14:37:05.999333Z",
"structure_string": "Mo2 W2 Se6 S2\n1.0\n3.290967 0.000005 -0.000013\n-1.645479 2.850052 0.000269\n-0.000148 0.003287 35.212271\nMo W Se S\n2 2 6 2\ndirect\n0.333321 0.666641 0.094282 Mo\n0.666686 0.333371 0.282055 Mo\n0.333316 0.666631 0.470941 W\n0.666677 0.333359 0.655642 W\n0.333214 0.666428 0.329902 Se\n0.666667 0.333347 0.046490 Se\n0.666636 0.333278 0.422766 Se\n0.666631 0.333251 0.142165 Se\n0.666666 0.333324 0.519113 Se\n0.333480 0.666959 0.234159 Se\n0.333321 0.666635 0.699419 S\n0.333380 0.666764 0.611813 S\n",
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{
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"created_at": "2022-09-04T14:36:51.791770Z",
"updated_at": "2022-09-04T14:36:51.791789Z",
"structure_string": "Te6 Mo2 W2 Se2\n1.0\n3.503249 -0.000000 0.000000\n-1.751624 3.033902 -0.000020\n0.000001 -0.000232 37.816482\nTe Mo W Se\n6 2 2 2\ndirect\n0.333336 0.666671 0.331604 Te\n0.666630 0.333258 0.043954 Te\n0.666663 0.333324 0.424985 Te\n0.666643 0.333285 0.140986 Te\n0.666662 0.333322 0.522050 Te\n0.333325 0.666649 0.234078 Te\n0.333303 0.666604 0.092428 Mo\n0.333329 0.666656 0.473523 Mo\n0.666664 0.333327 0.282837 W\n0.666707 0.333413 0.654129 W\n0.333375 0.666750 0.696986 Se\n0.333370 0.666740 0.611190 Se\n",
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{
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"created_at": "2022-09-04T14:37:09.659047Z",
"updated_at": "2022-09-04T14:37:09.659066Z",
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}
]
}