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{
"id": "jvasp-25667",
"created_at": "2022-09-04T14:37:45.496889Z",
"updated_at": "2022-09-04T14:37:45.496906Z",
"structure_string": "K6 Sc2 Si4 O14\n1.0\n2.826282 -4.895265 0.000000\n2.826282 4.895265 -0.000000\n-0.000000 0.000000 13.793198\nK Sc Si O\n6 2 4 14\ndirect\n0.333333 0.666666 0.592787 K\n0.000000 0.000000 0.750000 K\n0.666666 0.333333 0.407213 K\n0.333333 0.666666 0.907213 K\n0.666666 0.333333 0.092787 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.333333 0.666666 0.128868 Si\n0.666666 0.333333 0.871132 Si\n0.333333 0.666666 0.371132 Si\n0.666666 0.333333 0.628868 Si\n0.174448 0.348896 0.407920 O\n0.825551 0.174448 0.592080 O\n0.825551 0.174448 0.907920 O\n0.174448 0.825551 0.092080 O\n0.825551 0.651104 0.592080 O\n0.348896 0.174448 0.907920 O\n0.348896 0.174448 0.592080 O\n0.651104 0.825551 0.092080 O\n0.174448 0.348896 0.092080 O\n0.174448 0.825551 0.407920 O\n0.825551 0.651104 0.907920 O\n0.666666 0.333333 0.750000 O\n0.651104 0.825551 0.407920 O\n0.333333 0.666666 0.250000 O\n",
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{
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"structure_string": "Li1 Co2 C4 O12\n1.0\n5.035875 0.084489 -0.035286\n-2.366497 5.518475 0.074813\n-0.084698 -0.108320 7.527643\nLi Co C O\n1 2 4 12\ndirect\n0.796170 0.197875 0.444925 Li\n0.997484 0.997459 0.000313 Co\n0.497116 0.508026 0.497839 Co\n0.759941 0.876215 0.733343 C\n0.263706 0.366857 0.763967 C\n0.728820 0.627327 0.230452 C\n0.251004 0.122833 0.268058 C\n0.529636 0.403633 0.736696 O\n-0.009213 0.114988 0.246183 O\n0.143806 0.312161 0.915176 O\n0.134149 0.407413 0.622426 O\n0.846009 0.568246 0.370190 O\n0.471017 0.613963 0.258579 O\n0.017248 0.884379 0.764933 O\n0.395017 0.185287 0.416220 O\n0.634210 0.831462 0.578275 O\n0.647535 0.936439 0.867932 O\n0.857532 0.681678 0.082236 O\n0.352512 0.057494 0.132088 O\n",
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"formula_full": "Li1 Co2 C4 O12",
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{
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"created_at": "2022-09-04T14:38:00.844343Z",
"updated_at": "2022-09-04T14:38:00.844366Z",
"structure_string": "Mg4 B4 O10\n1.0\n3.125719 -0.009671 0.009465\n-0.221524 6.188832 0.016821\n-0.061424 -2.313445 8.964685\nMg B O\n4 4 10\ndirect\n0.231771 0.209682 0.854521 Mg\n0.768232 0.790318 0.145479 Mg\n0.733708 0.373076 0.602773 Mg\n0.266295 0.626925 0.397227 Mg\n0.800110 0.317566 0.143049 B\n0.199893 0.682435 0.856951 B\n0.835150 0.879814 0.668557 B\n0.164853 0.120186 0.331443 B\n0.728998 0.274148 0.994870 O\n0.271005 0.725852 0.005130 O\n0.062872 0.861805 0.799447 O\n0.937131 0.138196 0.200553 O\n0.278080 0.906830 0.320257 O\n0.235596 0.304094 0.446824 O\n0.721923 0.093170 0.679743 O\n0.758460 0.521961 0.241184 O\n0.764407 0.695907 0.553176 O\n0.241543 0.478039 0.758816 O\n",
"nsites": 18,
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"volume": 173.52868394966458,
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"formula_full": "Mg4 B4 O10",
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{
"id": "jvasp-120285",
"created_at": "2022-09-04T14:38:53.572941Z",
"updated_at": "2022-09-04T14:38:53.572969Z",
"structure_string": "Li1 Nb1 S3\n1.0\n4.837745 0.000000 0.000000\n-0.000000 4.837745 -0.000000\n0.000000 0.000000 4.837745\nLi Nb S\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Nb\n0.000000 0.500000 0.500000 S\n0.500000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 5,
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{
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"created_at": "2022-09-04T14:36:55.523982Z",
"updated_at": "2022-09-04T14:36:55.524003Z",
"structure_string": "Sr1 Ca1 Al4\n1.0\n4.999904 -0.000000 2.886696\n1.666635 4.713955 2.886696\n0.000000 -0.000000 5.773392\nSr Ca Al\n1 1 4\ndirect\n0.499999 0.499999 0.500001 Sr\n0.749999 0.749999 0.750002 Ca\n0.625603 0.124799 0.124800 Al\n0.124799 0.625603 0.124800 Al\n0.124799 0.124799 0.625604 Al\n0.124799 0.124799 0.124799 Al\n",
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],
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"volume": 136.07493773783182,
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"formula_full": "Sr1 Ca1 Al4",
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{
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"created_at": "2022-09-04T14:36:32.369041Z",
"updated_at": "2022-09-04T14:36:32.369075Z",
"structure_string": "Al2 Zn1 S4\n1.0\n-1.842991 3.192155 0.000000\n-3.685982 -0.000000 -0.000000\n-1.842991 1.064051 12.151464\nAl Zn S\n2 1 4\ndirect\n0.236692 0.236692 0.289922 Al\n0.762163 0.762164 0.713506 Al\n0.999425 0.999426 0.001721 Zn\n0.122127 0.122127 0.633619 S\n0.876732 0.876733 0.369801 S\n0.702419 0.702421 0.892738 S\n0.296436 0.296436 0.110691 S\n",
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{
"id": "jvasp-104991",
"created_at": "2022-09-04T14:36:57.621288Z",
"updated_at": "2022-09-04T14:36:57.621303Z",
"structure_string": "V1 O2 F1\n1.0\n4.701382 -0.160645 2.045812\n3.755891 2.832328 2.045812\n0.122661 0.038749 4.287245\nV O F\n1 2 1\ndirect\n0.017357 0.017358 0.957119 V\n0.010667 0.010668 0.588566 O\n0.601815 0.601818 -0.023164 O\n0.823420 0.823424 0.259668 F\n",
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"formula_full": "V1 O2 F1",
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{
"id": "jvasp-108860",
"created_at": "2022-09-04T14:38:19.106354Z",
"updated_at": "2022-09-04T14:38:19.106375Z",
"structure_string": "Na3 As1 F6\n1.0\n5.151706 -0.000000 2.974339\n1.717235 4.857075 2.974339\n-0.000000 -0.000000 5.948678\nNa As F\n3 1 6\ndirect\n0.750001 0.750001 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.756985 0.243016 0.243015 F\n0.243016 0.243016 0.756985 F\n0.243016 0.756985 0.756984 F\n0.243016 0.756985 0.243015 F\n0.756985 0.243016 0.756985 F\n0.756986 0.756985 0.243015 F\n",
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"formula_full": "Na3 As1 F6",
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{
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"created_at": "2022-09-04T14:38:40.580856Z",
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"structure_string": "Mg1 Si2 N2\n1.0\n2.993292 0.000000 0.000000\n0.000000 2.993292 -0.000000\n-0.000000 0.000000 6.988732\nMg Si N\n1 2 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.163516 Si\n0.500000 0.500000 0.836484 Si\n0.000000 0.500000 0.697846 N\n0.500000 0.000000 0.302154 N\n",
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{
"id": "jvasp-49197",
"created_at": "2022-09-04T14:37:17.911928Z",
"updated_at": "2022-09-04T14:37:17.911950Z",
"structure_string": "Li12 Zn2 O8\n1.0\n6.524001 0.000000 0.000000\n0.000000 6.524001 -0.000000\n0.000000 -0.000000 4.638904\nLi Zn O\n12 2 8\ndirect\n0.500000 0.000000 0.960092 Li\n0.282473 0.717527 0.500000 Li\n0.000000 0.500000 0.039907 Li\n0.217527 0.217527 0.000000 Li\n0.782473 0.782473 0.000000 Li\n0.717527 0.282473 0.500000 Li\n0.500000 0.000000 0.460092 Li\n0.282473 0.282473 0.500000 Li\n0.717527 0.717527 0.500000 Li\n0.782473 0.217527 0.000000 Li\n0.000000 0.500000 0.539907 Li\n0.217527 0.782473 0.000000 Li\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.764371 0.500000 0.779995 O\n0.235629 0.500000 0.779995 O\n0.000000 0.735629 0.279995 O\n0.735629 0.000000 0.720004 O\n0.500000 0.764371 0.220005 O\n0.500000 0.235629 0.220005 O\n0.000000 0.264371 0.279995 O\n0.264371 0.000000 0.720004 O\n",
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{
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"structure_string": "Li1 Cu1 P2 O6\n1.0\n-5.030522 -0.000253 -0.000068\n2.514512 4.645037 -0.000277\n-0.000213 -0.000772 -5.642028\nLi Cu P O\n1 1 2 6\ndirect\n0.000001 0.000035 0.666729 Li\n0.499902 0.999827 0.666563 Cu\n-0.000051 0.499927 0.337090 P\n0.500042 0.500067 0.996248 P\n0.668771 0.776227 0.861654 O\n0.107247 0.775975 0.471877 O\n0.270850 0.541672 0.166711 O\n0.729165 0.458278 0.166630 O\n0.892570 0.223825 0.471760 O\n0.331395 0.224067 0.861412 O\n",
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"formula_full": "Li1 Cu1 P2 O6",
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{
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"created_at": "2022-09-04T14:38:41.660279Z",
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"structure_string": "Sn2 H8 C4 Cl4\n1.0\n4.382511 -0.003498 -0.365784\n-2.175407 5.612800 -1.495119\n-0.004159 0.044147 10.204196\nSn H C Cl\n2 8 4 4\ndirect\n0.002105 0.084060 0.276249 Sn\n0.044147 0.954256 0.759880 Sn\n0.803409 0.145389 0.588064 H\n0.055252 0.770974 0.970085 H\n0.991071 0.267353 0.066040 H\n0.242913 0.892955 0.448061 H\n0.362552 0.209604 0.523711 H\n0.681784 0.825047 0.947370 H\n0.364523 0.213262 0.088764 H\n0.683745 0.828739 0.512409 H\n0.888690 0.996995 0.558669 C\n0.157619 0.041341 0.477454 C\n0.948489 0.905064 0.962009 C\n0.097811 0.133249 0.074119 C\n0.592904 0.273070 0.836567 Cl\n0.267748 0.636453 0.686152 Cl\n0.778558 0.401886 0.349966 Cl\n0.453380 0.765244 0.199555 Cl\n",
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],
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"formula_full": "Sn2 H8 C4 Cl4",
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}
]
}