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{
"id": "jvasp-44719",
"created_at": "2022-09-04T14:38:11.669969Z",
"updated_at": "2022-09-04T14:38:11.669986Z",
"structure_string": "Li4 Mn3 W1 O8\n1.0\n10.253169 -0.133538 -0.081696\n8.497156 5.739656 -0.081696\n13.623740 4.073331 2.492014\nLi Mn W O\n4 3 1 8\ndirect\n0.000001 0.000000 0.499999 Li\n0.000001 0.500001 0.499999 Li\n0.500001 0.000001 0.499999 Li\n0.500002 0.500002 0.499998 Li\n0.000000 0.500001 -0.000001 Mn\n0.500001 0.000000 -0.000001 Mn\n0.500001 0.500001 -0.000001 Mn\n0.000000 0.000000 0.000000 W\n0.000000 0.000000 0.263188 O\n0.000001 0.541364 0.225191 O\n0.541364 0.000001 0.225191 O\n0.000001 0.000001 0.736810 O\n0.458638 0.458638 0.307917 O\n0.000001 0.458638 0.774806 O\n0.458639 0.000001 0.774806 O\n0.541365 0.541365 0.692079 O\n",
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{
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"structure_string": "Li2 V2 P4 O14\n1.0\n6.249300 -0.289034 -0.077616\n-2.448185 5.928068 -0.013612\n-1.916273 -1.864212 7.359370\nLi V P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.585665 0.308007 0.769024 V\n0.414337 0.691994 0.230976 V\n0.157638 0.430980 0.779461 P\n0.545522 0.771705 0.681828 P\n0.454480 0.228296 0.318172 P\n0.842363 0.569022 0.220539 P\n0.441367 0.006728 0.210370 O\n0.287296 0.312204 0.199216 O\n0.738665 0.435585 0.367010 O\n0.118075 0.646495 0.290342 O\n0.599682 0.794887 0.502557 O\n0.400320 0.205115 0.497443 O\n0.558633 -0.006728 0.789629 O\n0.261337 0.564416 0.632990 O\n0.712705 0.687797 0.800783 O\n0.790081 0.785174 0.237052 O\n0.209921 0.214827 0.762948 O\n0.292426 0.604762 0.967084 O\n0.881927 0.353506 0.709658 O\n0.707576 0.395239 0.032916 O\n",
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{
"id": "jvasp-10969",
"created_at": "2022-09-04T14:37:12.043369Z",
"updated_at": "2022-09-04T14:37:12.043388Z",
"structure_string": "K2 Th2 Cu2 S6\n1.0\n4.085172 0.000000 0.000000\n-2.042586 6.850014 -0.000000\n0.000000 0.000000 10.569499\nK Th Cu S\n2 2 2 6\ndirect\n0.744033 0.488067 0.250000 K\n0.255965 0.511932 0.750000 K\n0.000000 0.000000 0.000000 Th\n0.000000 0.000000 0.500000 Th\n0.466742 0.933486 0.250000 Cu\n0.533256 0.066513 0.750000 Cu\n0.629415 0.258831 0.932799 S\n0.370583 0.741168 0.067201 S\n0.933667 0.867337 0.750000 S\n0.066331 0.132662 0.250000 S\n0.370583 0.741168 0.432799 S\n0.629415 0.258831 0.567201 S\n",
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{
"id": "jvasp-28589",
"created_at": "2022-09-04T14:37:32.603950Z",
"updated_at": "2022-09-04T14:37:32.603971Z",
"structure_string": "Te2 Mo4 Se2 S4\n1.0\n3.313725 0.000000 0.000000\n-1.656863 2.869745 -0.010054\n0.000000 0.095525 26.239072\nTe Mo Se S\n2 4 2 4\ndirect\n0.333858 0.667714 0.819053 Te\n0.333977 0.667952 0.672905 Te\n0.332858 0.665714 0.012774 Mo\n0.333751 0.667501 0.488960 Mo\n0.666143 0.332285 0.255186 Mo\n0.667251 0.334498 0.745996 Mo\n0.666238 0.332473 0.948814 Se\n0.666145 0.332288 0.076748 Se\n0.332775 0.665550 0.313419 S\n0.667110 0.334216 0.430745 S\n0.667063 0.334123 0.547196 S\n0.332844 0.665687 0.196950 S\n",
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{
"id": "jvasp-11190",
"created_at": "2022-09-04T14:37:07.444924Z",
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"structure_string": "Ca1 Sn1 B2 O6\n1.0\n4.478013 -0.012770 4.098799\n1.796971 4.101665 4.098799\n-0.019598 -0.012770 6.070615\nCa Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.500001 0.500001 Sn\n0.759807 0.759810 0.759810 B\n0.240191 0.240192 0.240192 B\n0.730459 0.490231 0.051780 O\n0.051779 0.730461 0.490230 O\n0.509769 0.948221 0.269541 O\n0.269539 0.509771 0.948221 O\n0.948219 0.269541 0.509771 O\n0.490229 0.051780 0.730461 O\n",
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{
"id": "jvasp-34479",
"created_at": "2022-09-04T14:37:18.146629Z",
"updated_at": "2022-09-04T14:37:18.146649Z",
"structure_string": "Ba4 Fe2 S4 I5\n1.0\n4.878392 0.000000 1.285240\n2.439196 9.749879 0.642620\n-0.044707 0.000000 10.070788\nBa Fe S I\n4 2 4 5\ndirect\n0.056455 0.692367 0.194723 Ba\n0.251178 0.805277 0.692367 Ba\n0.748822 0.194723 0.307633 Ba\n0.943545 0.307633 0.805277 Ba\n0.250000 0.500000 0.500000 Fe\n0.750000 0.500000 0.500000 Fe\n0.902722 0.678065 0.516492 S\n0.419214 0.483508 0.678065 S\n0.097278 0.321935 0.483508 S\n0.580786 0.516492 0.321936 S\n0.295248 0.338249 0.071255 I\n0.366503 0.928746 0.338249 I\n0.704752 0.661751 0.928746 I\n0.000000 0.000000 0.000000 I\n0.633497 0.071255 0.661751 I\n",
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{
"id": "jvasp-10247",
"created_at": "2022-09-04T14:37:28.960522Z",
"updated_at": "2022-09-04T14:37:28.960547Z",
"structure_string": "Rb4 Li4 Si2 O8\n1.0\n5.487821 -0.008386 0.024820\n0.416728 5.638290 0.008015\n2.259027 0.799898 8.348583\nRb Li Si O\n4 4 2 8\ndirect\n0.471503 0.847312 0.734767 Rb\n0.528498 0.152688 0.265232 Rb\n0.789136 0.724576 0.020865 Rb\n0.210865 0.275423 0.979134 Rb\n0.929790 0.184335 0.437997 Li\n0.070211 0.815664 0.562002 Li\n0.696042 0.592548 0.420126 Li\n0.303959 0.407451 0.579873 Li\n0.853517 0.313948 0.721273 Si\n0.146484 0.686051 0.278726 Si\n0.001018 0.561584 0.719236 O\n-0.001016 0.438417 0.280763 O\n0.917672 0.866057 0.381937 O\n0.082329 0.133943 0.618062 O\n0.268886 0.794309 0.094015 O\n0.731115 0.205691 0.905984 O\n0.362416 0.641657 0.385668 O\n0.637585 0.358342 0.614331 O\n",
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{
"id": "jvasp-10970",
"created_at": "2022-09-04T14:37:18.117913Z",
"updated_at": "2022-09-04T14:37:18.117944Z",
"structure_string": "Sb1 S2 N1 F6\n1.0\n5.300394 0.000578 0.045173\n0.031602 5.394549 2.162951\n0.001087 0.045298 5.811924\nSb S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.373466 0.638547 0.638546 S\n0.626534 0.361453 0.361452 S\n0.500000 0.500000 0.499999 N\n0.300402 0.109635 0.109635 F\n0.699598 0.890366 0.890364 F\n0.857732 0.328283 0.908573 F\n0.142268 0.091426 0.671717 F\n0.142268 0.671718 0.091426 F\n0.857731 0.908575 0.328281 F\n",
"nsites": 10,
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"density_atomic": 0.06036384208757457,
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{
"id": "jvasp-46842",
"created_at": "2022-09-04T14:37:33.136647Z",
"updated_at": "2022-09-04T14:37:33.136666Z",
"structure_string": "Li6 Cu4 Sb2 O12\n1.0\n2.786208 4.332438 0.046757\n-2.786208 4.332438 -0.046757\n-0.715419 0.000000 9.840391\nLi Cu Sb O\n6 4 2 12\ndirect\n0.315289 0.850079 0.998794 Li\n0.149921 0.684712 0.498794 Li\n0.903434 0.903434 0.750000 Li\n0.096566 0.096566 0.250000 Li\n0.850079 0.315289 0.501206 Li\n0.684712 0.149922 0.001206 Li\n-0.000000 0.500000 -0.000000 Cu\n0.584478 0.584479 0.750000 Cu\n0.415522 0.415522 0.250000 Cu\n0.500000 0.000000 0.500000 Cu\n0.755119 0.755119 0.250000 Sb\n0.244881 0.244882 0.750000 Sb\n0.703488 0.464923 0.130988 O\n0.568929 0.917342 0.851922 O\n0.296513 0.535077 0.869012 O\n0.082659 0.431072 0.351922 O\n0.984777 0.203781 0.886925 O\n0.464923 0.703488 0.369012 O\n0.796220 0.015223 0.386925 O\n0.203781 0.984778 0.613074 O\n0.535077 0.296513 0.630988 O\n0.015223 0.796220 0.113074 O\n0.917341 0.568929 0.648078 O\n0.431072 0.082659 0.148078 O\n",
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{
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"created_at": "2022-09-04T14:37:18.078880Z",
"updated_at": "2022-09-04T14:37:18.078905Z",
"structure_string": "Na1 Sr4 B3 N6\n1.0\n6.165497 -0.000000 -2.179832\n-3.082748 5.339476 -2.179832\n-0.000000 -0.000000 6.539496\nNa Sr B N\n1 4 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500001 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000001 B\n0.500000 0.000000 0.500001 B\n0.000000 0.500000 0.500001 B\n0.677912 0.000000 0.677912 N\n0.322089 0.000000 0.322089 N\n0.677912 0.677912 0.000001 N\n0.322089 0.322089 0.000000 N\n0.000000 0.677912 0.677912 N\n0.000000 0.322089 0.322089 N\n",
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{
"id": "jvasp-44414",
"created_at": "2022-09-04T14:37:07.817613Z",
"updated_at": "2022-09-04T14:37:07.817639Z",
"structure_string": "Li4 Mn6 W2 O16\n1.0\n5.818817 -0.025088 0.090496\n-2.931135 5.076875 -0.180993\n0.150630 -0.260898 9.672049\nLi Mn W O\n4 6 2 16\ndirect\n0.342088 0.656089 0.907028 Li\n0.019168 0.015594 0.989711 Li\n-0.019168 -0.003573 0.489711 Li\n0.657912 0.314001 0.407028 Li\n0.837036 0.659869 0.715508 Mn\n0.336648 0.166436 0.711015 Mn\n0.828063 0.169598 0.714806 Mn\n0.171937 0.341535 0.214806 Mn\n0.162964 0.822833 0.215508 Mn\n0.663352 0.829790 0.211015 Mn\n0.322442 0.646498 0.485337 W\n0.677558 0.324057 0.985337 W\n0.363542 0.211364 0.091838 O\n0.848958 0.683795 0.085418 O\n0.663701 0.325383 0.612193 O\n0.532523 0.025545 0.852382 O\n0.528331 0.477566 0.843910 O\n0.636458 0.847823 0.591839 O\n0.467477 0.493022 0.352382 O\n0.022541 0.500402 0.347526 O\n0.140782 0.346847 0.593882 O\n-0.001130 0.007508 0.803369 O\n0.001130 0.008638 0.303369 O\n0.336299 0.661683 0.112193 O\n0.977459 0.477860 0.847526 O\n0.151042 0.834837 0.585418 O\n0.471669 0.949236 0.343910 O\n0.859218 0.206066 0.093882 O\n",
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"formula_full": "Li4 Mn6 W2 O16",
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{
"id": "jvasp-57476",
"created_at": "2022-09-04T14:37:12.760746Z",
"updated_at": "2022-09-04T14:37:12.760779Z",
"structure_string": "Cu2 C2 S2 N2\n1.0\n1.904891 -3.299369 0.000000\n1.904891 3.299369 -0.000000\n0.000000 0.000000 11.016318\nCu C S N\n2 2 2 2\ndirect\n0.666667 0.333333 0.501673 Cu\n0.333333 0.666667 0.001673 Cu\n0.333333 0.666667 0.280135 C\n0.666667 0.333333 0.780135 C\n0.666667 0.333333 0.930793 S\n0.333333 0.666667 0.430793 S\n0.666667 0.333333 0.673599 N\n0.333333 0.666667 0.173598 N\n",
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}
]
}