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{
"id": "jvasp-19300",
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"updated_at": "2022-09-04T14:37:08.463713Z",
"structure_string": "Zn6 Co4 O14\n1.0\n5.076278 -0.000000 -0.000000\n-0.000000 4.848088 -1.307694\n-0.000000 -0.090590 9.304793\nZn Co O\n6 4 14\ndirect\n0.705053 0.749749 0.000000 Zn\n0.205053 0.250252 0.000000 Zn\n0.809668 0.558134 0.605160 Zn\n0.309668 0.441867 0.394840 Zn\n0.809668 0.952972 0.394840 Zn\n0.309668 0.047028 0.605160 Zn\n0.751921 0.348289 0.201659 Co\n0.251921 0.651711 0.798341 Co\n0.251921 0.853370 0.201659 Co\n0.751921 0.146631 0.798341 Co\n0.318652 0.630315 0.000000 O\n0.818652 0.369685 0.000000 O\n0.437866 0.143330 0.150727 O\n0.937866 0.856670 0.849273 O\n0.054530 0.570366 0.263271 O\n0.554530 0.429634 0.736729 O\n0.194165 0.064557 0.402278 O\n0.054530 0.307095 0.736729 O\n0.694165 0.337722 0.402278 O\n0.194165 0.662278 0.597722 O\n0.937866 0.007397 0.150727 O\n0.694165 0.935444 0.597722 O\n0.554530 0.692905 0.263271 O\n0.437866 0.992603 0.849273 O\n",
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{
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],
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"density_atomic": 0.08873495713752205,
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"formula_anonymous": "ABC3D7",
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"spacegroup": 8
},
{
"id": "jvasp-97809",
"created_at": "2022-09-04T14:37:41.312200Z",
"updated_at": "2022-09-04T14:37:41.312211Z",
"structure_string": "Zn6 B14 Cl2 O26\n1.0\n7.441320 -0.004019 4.310332\n2.482598 7.014981 4.310332\n-0.005689 -0.004019 8.599545\nZn B Cl O\n6 14 2 26\ndirect\n0.471649 0.472979 0.034311 Zn\n0.472980 0.034311 0.471648 Zn\n0.972980 0.971648 0.534310 Zn\n0.534311 0.972979 0.971648 Zn\n0.971649 0.534311 0.972979 Zn\n0.034311 0.471648 0.472979 Zn\n0.747423 0.747827 0.253869 B\n0.747828 0.253869 0.747422 B\n0.253870 0.747423 0.747827 B\n0.753870 0.247827 0.247423 B\n0.573519 0.573586 0.267179 B\n0.247423 0.753869 0.247827 B\n0.073519 0.767179 0.073586 B\n0.073586 0.073519 0.767179 B\n0.602627 0.602626 0.602626 B\n0.102627 0.102627 0.102627 B\n0.573586 0.267179 0.573519 B\n0.267179 0.573519 0.573586 B\n0.247828 0.247423 0.753869 B\n0.767179 0.073586 0.073519 B\n0.266525 0.266525 0.266525 Cl\n0.766525 0.766525 0.766524 Cl\n0.935745 0.701382 0.254445 O\n0.435745 0.754445 0.201382 O\n0.201382 0.435745 0.754445 O\n0.191170 0.610367 0.434500 O\n0.110367 0.691169 0.934500 O\n0.934500 0.110367 0.691169 O\n0.691170 0.934500 0.110367 O\n0.754445 0.201382 0.435744 O\n0.701382 0.254445 0.935744 O\n0.445087 0.605382 0.765306 O\n0.605382 0.765306 0.445087 O\n0.765306 0.445087 0.605381 O\n0.265306 0.105382 0.945087 O\n0.105382 0.945087 0.265306 O\n0.945087 0.265306 0.105381 O\n0.989032 0.989031 0.989030 O\n0.750834 0.598679 0.214575 O\n0.598679 0.214576 0.750834 O\n0.214576 0.750834 0.598678 O\n0.098679 0.250834 0.714575 O\n0.250834 0.714576 0.098679 O\n0.714576 0.098679 0.250834 O\n0.610367 0.434500 0.191169 O\n0.434500 0.191169 0.610367 O\n0.254445 0.935745 0.701382 O\n0.489031 0.489031 0.489031 O\n",
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"formula_full": "Zn6 B14 Cl2 O26",
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{
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"created_at": "2022-09-04T14:36:58.060059Z",
"updated_at": "2022-09-04T14:36:58.060076Z",
"structure_string": "Zn6 Au2\n1.0\n5.664818 -0.000000 0.000000\n-2.832409 4.905877 0.000000\n-0.000000 -0.000000 4.464377\nZn Au\n6 2\ndirect\n0.165086 0.330173 0.250000 Zn\n0.669827 0.834914 0.250000 Zn\n0.165086 0.834914 0.250000 Zn\n0.834914 0.669827 0.750000 Zn\n0.330173 0.165086 0.750000 Zn\n0.834914 0.165086 0.750000 Zn\n0.333333 0.666667 0.750000 Au\n0.666667 0.333334 0.250000 Au\n",
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],
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"volume": 124.06905626658956,
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"formula_full": "Zn6 Au2",
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"spacegroup": 194
},
{
"id": "jvasp-58376",
"created_at": "2022-09-04T14:37:27.479662Z",
"updated_at": "2022-09-04T14:37:27.479683Z",
"structure_string": "Zn6 As4\n1.0\n5.956945 0.000000 0.000000\n0.000000 5.956945 0.000000\n0.000000 0.000000 5.956945\nZn As\n6 4\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.250000 0.250000 0.250000 As\n0.750001 0.250000 0.750001 As\n0.750001 0.750001 0.250000 As\n0.250000 0.750001 0.750001 As\n",
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},
{
"id": "jvasp-105885",
"created_at": "2022-09-04T14:35:49.948484Z",
"updated_at": "2022-09-04T14:35:49.948514Z",
"structure_string": "Zn6 Ag2\n1.0\n5.688374 -0.000000 -0.000000\n-2.844187 4.926277 0.000000\n0.000000 0.000000 4.429373\nZn Ag\n6 2\ndirect\n0.164383 0.328768 0.250000 Zn\n0.671232 0.835617 0.250000 Zn\n0.164383 0.835617 0.250000 Zn\n0.835616 0.671233 0.749999 Zn\n0.328767 0.164383 0.749999 Zn\n0.835616 0.164383 0.749999 Zn\n0.333333 0.666667 0.749999 Ag\n0.666666 0.333333 0.250000 Ag\n",
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{
"id": "jvasp-102646",
"created_at": "2022-09-04T14:36:41.854107Z",
"updated_at": "2022-09-04T14:36:41.854135Z",
"structure_string": "Zn5 Se1 S4\n1.0\n3.847116 0.000674 -13.463367\n-0.074831 3.846388 -13.463367\n-0.000661 -0.000674 14.002234\nZn Se S\n5 1 4\ndirect\n0.304425 0.304425 0.000000 Zn\n0.695576 0.695575 0.000000 Zn\n0.097666 0.097666 0.000000 Zn\n0.500001 0.500000 0.000000 Zn\n0.902336 0.902334 0.000001 Zn\n0.250001 0.750001 0.500001 Se\n0.646613 0.146612 0.500001 S\n0.048837 0.548837 0.500001 S\n0.451165 0.951164 0.500001 S\n0.853389 0.353388 0.500001 S\n",
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{
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"created_at": "2022-09-04T14:38:35.973591Z",
"updated_at": "2022-09-04T14:38:35.973613Z",
"structure_string": "Zn5 S5\n1.0\n3.819522 0.006544 15.436010\n1.886918 3.320893 15.436010\n0.011222 0.006544 15.901541\nZn S\n5 5\ndirect\n0.600092 0.600090 0.600093 Zn\n0.866709 0.866706 0.866710 Zn\n0.466641 0.466639 0.466641 Zn\n0.000142 0.000142 0.000142 Zn\n0.733415 0.733413 0.733416 Zn\n0.050032 0.050032 0.050032 S\n0.783199 0.783196 0.783199 S\n0.649976 0.649974 0.649977 S\n0.516545 0.516543 0.516545 S\n0.916593 0.916590 0.916594 S\n",
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{
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"created_at": "2022-09-04T14:37:15.207890Z",
"updated_at": "2022-09-04T14:37:15.207916Z",
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{
"id": "jvasp-11355",
"created_at": "2022-09-04T14:37:17.606674Z",
"updated_at": "2022-09-04T14:37:17.606699Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.418879 0.194172 0.036682\n1.203731 8.143028 -0.051920\n1.611666 0.275752 9.147775\nZn Sn O\n4 4 8\ndirect\n0.582670 0.017532 0.318780 Zn\n0.413357 0.962386 0.709422 Zn\n0.307280 0.774815 0.099731 Zn\n0.688771 0.205097 0.928470 Zn\n0.817749 0.293752 0.574943 Sn\n-0.017419 0.361073 0.183238 Sn\n0.013465 0.618845 0.844963 Sn\n0.178271 0.686168 0.453259 Sn\n0.574065 0.811735 0.539046 O\n0.114927 0.337259 0.948880 O\n0.881121 0.642656 0.079319 O\n0.421958 0.168184 0.489156 O\n0.835066 0.091520 0.740491 O\n0.589256 0.182554 0.149048 O\n0.160965 0.888397 0.287710 O\n0.406788 0.797360 0.879152 O\n",
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"formula_full": "Zn4 Sn4 O8",
"formula_reduced": "ZnSnO2",
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"spacegroup": 12
},
{
"id": "jvasp-9251",
"created_at": "2022-09-04T14:38:11.942075Z",
"updated_at": "2022-09-04T14:38:11.942111Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.398701 -0.073667 -0.141552\n-0.039636 7.947599 -0.635557\n-0.346786 0.529798 8.927444\nZn Sn O\n4 4 8\ndirect\n0.278870 0.618788 0.948397 Zn\n0.696886 0.353007 0.071683 Zn\n0.778501 0.872545 0.137614 Zn\n0.197262 0.099253 0.882472 Zn\n-0.084962 0.370740 0.687659 Sn\n0.639571 0.834898 0.682539 Sn\n0.336196 0.136898 0.337543 Sn\n0.060718 0.601055 0.332423 Sn\n0.421309 0.405627 0.263066 O\n0.667174 0.120508 0.765241 O\n0.308587 0.851291 0.254845 O\n0.554455 0.566172 0.757014 O\n0.152314 0.344236 0.939394 O\n0.180484 0.849527 0.849931 O\n0.823442 0.627565 0.080687 O\n0.795281 0.122271 0.170150 O\n",
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"formula_full": "Zn4 Sn4 O8",
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{
"id": "jvasp-30684",
"created_at": "2022-09-04T14:38:33.794147Z",
"updated_at": "2022-09-04T14:38:33.794162Z",
"structure_string": "Zn4 Sn4 O8\n1.0\n3.298016 0.308925 0.722328\n2.522980 10.089156 0.078719\n0.026189 -0.647149 8.113242\nZn Sn O\n4 4 8\ndirect\n0.110212 0.057426 0.154738 Zn\n0.885784 0.922484 0.873514 Zn\n0.906225 0.760323 0.156806 Zn\n0.089840 0.219564 0.871381 Zn\n0.793322 0.193950 0.515709 Sn\n0.229294 0.402558 0.226476 Sn\n0.766759 0.577358 0.801687 Sn\n0.202707 0.786006 0.512477 Sn\n0.799882 0.660127 0.569914 O\n0.585329 0.272940 0.773649 O\n0.410720 0.706959 0.254549 O\n0.196132 0.319842 0.458290 O\n0.294443 0.015749 0.869674 O\n0.915686 0.262515 0.133771 O\n0.701587 0.964146 0.158556 O\n0.080362 0.717394 0.894426 O\n",
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"formula_full": "Zn4 Sn4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
}
]
}