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{
"id": "jvasp-9528",
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"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
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{
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"structure_string": "Rb2 U2 Cu2 S6\n1.0\n3.936696 0.000000 -0.000000\n-1.968348 7.229971 -0.000000\n-0.000000 0.000000 10.204110\nRb U Cu S\n2 2 2 6\ndirect\n0.259253 0.518505 0.250000 Rb\n0.740747 0.481495 0.750000 Rb\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.463200 0.926399 0.750000 Cu\n0.536801 0.073601 0.250000 Cu\n0.378452 0.756905 0.556971 S\n0.621548 0.243095 0.443029 S\n0.621548 0.243095 0.056971 S\n0.057293 0.114588 0.750000 S\n0.942707 0.885412 0.250000 S\n0.378452 0.756905 0.943029 S\n",
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{
"id": "jvasp-28974",
"created_at": "2022-09-04T14:37:29.073752Z",
"updated_at": "2022-09-04T14:37:29.073785Z",
"structure_string": "Te2 Mo1 W3 Se6\n1.0\n3.385769 -0.000000 -0.000000\n-1.692885 2.932181 0.000014\n-0.000001 0.000224 36.395644\nTe Mo W Se\n2 1 3 6\ndirect\n0.333297 0.666594 0.334792 Te\n0.333338 0.666674 0.230751 Te\n0.333271 0.666539 0.092582 Mo\n0.333358 0.666712 0.473666 W\n0.666660 0.333318 0.282771 W\n0.666718 0.333434 0.653893 W\n0.333403 0.666803 0.699493 Se\n0.666605 0.333207 0.047199 Se\n0.666695 0.333389 0.427996 Se\n0.666619 0.333237 0.138055 Se\n0.666683 0.333364 0.519313 Se\n0.333362 0.666722 0.608238 Se\n",
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"density_atomic": 0.03321113654008441,
"volume": 361.32458115417154,
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"formula_full": "Te2 Mo1 W3 Se6",
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{
"id": "jvasp-55469",
"created_at": "2022-09-04T14:37:29.075733Z",
"updated_at": "2022-09-04T14:37:29.075762Z",
"structure_string": "Sc2 Zn2 Mo6 O16\n1.0\n2.912908 -5.045305 0.000000\n2.912908 5.045305 -0.000000\n0.000000 0.000000 10.124411\nSc Zn Mo O\n2 2 6 16\ndirect\n0.666667 0.333333 0.986169 Sc\n0.333333 0.666667 0.486169 Sc\n0.666667 0.333333 0.547208 Zn\n0.333333 0.666667 0.047208 Zn\n0.855665 0.711330 0.248972 Mo\n0.144336 0.855665 0.748972 Mo\n0.711330 0.855665 0.748972 Mo\n0.144336 0.288671 0.748972 Mo\n0.288671 0.144336 0.248972 Mo\n0.855665 0.144336 0.248972 Mo\n0.489453 0.510547 0.633788 O\n0.666667 0.333333 0.352452 O\n0.333333 0.666667 0.852452 O\n0.000000 0.000000 0.108492 O\n0.000000 0.000000 0.608492 O\n0.510547 0.489453 0.133788 O\n0.021093 0.510547 0.633788 O\n0.165015 0.834986 0.371399 O\n0.165015 0.330030 0.371399 O\n0.330030 0.165015 0.871399 O\n0.834986 0.165015 0.871399 O\n0.489454 0.978907 0.633788 O\n0.669971 0.834986 0.371399 O\n0.834986 0.669971 0.871399 O\n0.510547 0.021093 0.133788 O\n0.978907 0.489454 0.133788 O\n",
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{
"id": "jvasp-102404",
"created_at": "2022-09-04T14:37:08.598626Z",
"updated_at": "2022-09-04T14:37:08.598652Z",
"structure_string": "Rb2 Nb1 Au1 F6\n1.0\n6.016753 -0.000000 3.473774\n2.005584 5.672649 3.473774\n-0.000000 -0.000000 6.947548\nRb Nb Au F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.499999 0.500000 0.500000 Au\n0.801244 0.198756 0.198756 F\n0.198756 0.198756 0.801244 F\n0.198755 0.801244 0.801244 F\n0.198755 0.801244 0.198756 F\n0.801244 0.198756 0.801244 F\n0.801243 0.801244 0.198756 F\n",
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{
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"created_at": "2022-09-04T14:37:13.047054Z",
"updated_at": "2022-09-04T14:37:13.047081Z",
"structure_string": "Ba2 Al1 Ni3 O8\n1.0\n3.700293 0.000000 0.000000\n-0.000000 3.700293 -0.000000\n0.000000 -0.000000 12.411817\nBa Al Ni O\n2 1 3 8\ndirect\n0.500000 0.500000 0.827157 Ba\n0.500000 0.500000 0.172911 Ba\n0.500000 0.500000 0.499995 Al\n0.000000 0.000000 0.633073 Ni\n0.000000 0.000000 0.000080 Ni\n0.000000 0.000000 0.366888 Ni\n0.500000 0.000000 0.595322 O\n0.000000 0.500000 0.595322 O\n0.000000 0.500000 0.000028 O\n0.000000 0.000000 0.784434 O\n0.500000 0.000000 0.404624 O\n0.000000 0.500000 0.404624 O\n0.000000 0.000000 0.215512 O\n0.500000 0.000000 0.000028 O\n",
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{
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"created_at": "2022-09-04T14:37:08.569692Z",
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"structure_string": "Na2 Cu1 Pd1 F6\n1.0\n5.027530 -0.000000 2.902645\n1.675844 4.740000 2.902645\n0.000000 -0.000000 5.805291\nNa Cu Pd F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Pd\n0.743560 0.256440 0.256441 F\n0.256440 0.256440 0.743560 F\n0.256440 0.743560 0.743561 F\n0.256440 0.743560 0.256441 F\n0.743560 0.256440 0.743561 F\n0.743559 0.743560 0.256442 F\n",
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{
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"updated_at": "2022-09-04T14:37:19.828614Z",
"structure_string": "Ca1 Ga1 Sn1 H1\n1.0\n2.182925 -3.780937 0.000000\n2.182925 3.780937 0.000000\n0.000000 -0.000000 4.937558\nCa Ga Sn H\n1 1 1 1\ndirect\n0.000000 0.000000 -0.001573 Ca\n0.666666 0.333332 0.617013 Ga\n0.333332 0.666666 0.443899 Sn\n0.666666 0.333332 0.967561 H\n",
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{
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"updated_at": "2022-09-04T14:37:19.802456Z",
"structure_string": "K1 Rb2 Rh1 F6\n1.0\n5.471651 -0.000000 3.159059\n1.823884 5.158722 3.159059\n-0.000000 -0.000000 6.318118\nK Rb Rh F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Rh\n0.223350 0.776650 0.776651 F\n0.223350 0.776650 0.223351 F\n0.776650 0.223350 0.776650 F\n0.223350 0.223350 0.776650 F\n0.776650 0.223350 0.223350 F\n0.776649 0.776650 0.223351 F\n",
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{
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"structure_string": "Mo2 W2 Se4 S4\n1.0\n3.258866 0.000000 -0.000000\n-1.629432 2.822268 0.000212\n0.000002 0.001988 34.265307\nMo W Se S\n2 2 4 4\ndirect\n0.333592 0.667182 0.094726 Mo\n0.333223 0.666444 0.469361 Mo\n0.666635 0.333269 0.282084 W\n0.666551 0.333102 0.656742 W\n0.333248 0.666494 0.331932 Se\n0.333185 0.666371 0.706545 Se\n0.333357 0.666714 0.232237 Se\n0.333254 0.666507 0.606886 Se\n0.666964 0.333925 0.049663 S\n0.666586 0.333170 0.424249 S\n0.666893 0.333783 0.139847 S\n0.666525 0.333047 0.514475 S\n",
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{
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"structure_string": "Li2 Zr1 Cu1 O4\n1.0\n-2.101774 2.101774 4.447245\n2.101774 -2.101774 4.447245\n2.101774 2.101774 -4.447245\nLi Zr Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.000000 Li\n0.250000 0.749999 0.499999 Li\n0.749999 0.250000 0.499999 Zr\n0.000000 0.000000 0.000000 Cu\n0.988902 0.488903 0.499999 O\n0.254446 0.254446 0.000000 O\n0.511096 0.011097 0.499999 O\n0.745553 0.745553 0.000000 O\n",
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]
}