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{
"id": "jvasp-57799",
"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",
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{
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"structure_string": "Zn2 Ga2 S5\n1.0\n-3.193072 1.843521 -0.000000\n0.000000 3.687041 -0.000000\n-1.064358 1.843521 -15.135933\nZn Ga S\n2 2 5\ndirect\n0.866289 0.866289 0.401130 Zn\n0.133711 0.133710 0.598869 Zn\n0.724023 0.724022 0.827932 Ga\n0.275977 0.275977 0.172068 Ga\n0.500000 0.500000 0.500000 S\n0.772735 0.772734 0.681795 S\n0.227265 0.227265 0.318205 S\n0.631898 0.631898 0.104304 S\n0.368102 0.368101 0.895695 S\n",
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{
"id": "jvasp-9550",
"created_at": "2022-09-04T14:37:07.218377Z",
"updated_at": "2022-09-04T14:37:07.218398Z",
"structure_string": "Mg4 Ti4 O10\n1.0\n0.000000 5.996049 -0.004224\n3.184573 0.000000 0.000000\n0.000000 -0.008249 -11.082633\nMg Ti O\n4 4 10\ndirect\n0.756976 0.500000 0.095712 Mg\n0.427199 0.500000 0.878160 Mg\n0.072754 0.500000 0.378153 Mg\n0.743037 0.500000 0.595723 Mg\n0.554135 0.000000 0.365673 Ti\n0.216282 0.000000 0.634107 Ti\n0.945851 0.000000 0.865679 Ti\n0.283740 0.000000 0.134114 Ti\n0.753627 0.500000 0.405103 O\n0.217049 0.000000 0.311939 O\n0.384534 0.500000 0.052278 O\n0.746340 0.500000 0.905089 O\n0.502951 0.000000 0.559618 O\n0.282921 0.000000 0.811941 O\n0.874335 0.000000 0.697425 O\n-0.002933 0.000000 0.059592 O\n0.625714 0.000000 0.197423 O\n0.115488 0.500000 0.552266 O\n",
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"formula_full": "Mg4 Ti4 O10",
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{
"id": "jvasp-29356",
"created_at": "2022-09-04T14:37:59.092271Z",
"updated_at": "2022-09-04T14:37:59.092302Z",
"structure_string": "Zn2 In2 S5\n1.0\n3.840221 -0.020825 15.039401\n1.872226 3.352984 15.039401\n-0.035701 -0.020825 15.521907\nZn In S\n2 2 5\ndirect\n0.686925 0.686921 0.686924 Zn\n0.517613 0.517609 0.517612 Zn\n0.102849 0.102848 0.102849 In\n0.924623 0.924617 0.924622 In\n0.006272 0.006272 0.006272 S\n0.468689 0.468686 0.468688 S\n0.614004 0.614000 0.614003 S\n0.741153 0.741148 0.741152 S\n0.869886 0.869880 0.869884 S\n",
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"volume": 202.8961958561109,
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{
"id": "jvasp-101638",
"created_at": "2022-09-04T14:36:47.843854Z",
"updated_at": "2022-09-04T14:36:47.843865Z",
"structure_string": "Li5 Cu2 Ge2\n1.0\n4.215161 0.000000 0.000000\n-2.107581 3.650436 0.000000\n-0.000000 0.000000 8.003702\nLi Cu Ge\n5 2 2\ndirect\n0.333334 0.666667 0.113639 Li\n0.666667 0.333334 0.886361 Li\n0.333334 0.666667 0.432683 Li\n0.666667 0.333334 0.567316 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.309070 Cu\n0.000000 0.000000 0.690929 Cu\n0.333334 0.666667 0.761051 Ge\n0.666667 0.333334 0.238949 Ge\n",
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{
"id": "jvasp-10198",
"created_at": "2022-09-04T14:38:08.525594Z",
"updated_at": "2022-09-04T14:38:08.525625Z",
"structure_string": "Li4 Ge4 O10\n1.0\n5.007285 0.001625 -0.000641\n-0.001757 5.548069 -2.187817\n0.000879 0.055061 8.268193\nLi Ge O\n4 4 10\ndirect\n0.605795 0.703472 0.110488 Li\n0.105794 0.592983 0.889511 Li\n0.105786 0.403220 0.110487 Li\n0.605787 0.292733 0.889512 Li\n0.100210 0.013659 0.708482 Ge\n0.100218 0.982546 0.291511 Ge\n0.600210 0.305178 0.291518 Ge\n0.600218 0.691034 0.708488 Ge\n0.498720 0.498128 0.499998 O\n0.955177 0.746476 0.731027 O\n0.455176 0.015449 0.268972 O\n0.455178 0.980778 0.731031 O\n0.955179 0.249745 0.268968 O\n0.989463 0.723554 0.131425 O\n0.989456 0.272669 0.868565 O\n0.489455 0.404104 0.131434 O\n0.489463 0.592130 0.868574 O\n-0.001281 0.998130 0.500001 O\n",
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"formula_full": "Li4 Ge4 O10",
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"spacegroup": 37
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{
"id": "jvasp-41962",
"created_at": "2022-09-04T14:38:31.299516Z",
"updated_at": "2022-09-04T14:38:31.299545Z",
"structure_string": "Ba2 Ga2 O5\n1.0\n3.986012 0.000000 -0.000000\n0.000000 3.986012 0.000000\n-0.000000 0.000000 8.252049\nBa Ga O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.270419 Ga\n0.500000 0.500000 0.729581 Ga\n0.500000 0.000000 0.230055 O\n0.500000 0.000000 0.769945 O\n0.000000 0.500000 0.230055 O\n0.000000 0.500000 0.769945 O\n0.500000 0.500000 0.500000 O\n",
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{
"id": "jvasp-9627",
"created_at": "2022-09-04T14:37:19.449304Z",
"updated_at": "2022-09-04T14:37:19.449336Z",
"structure_string": "Zn4 Cr4 O10\n1.0\n0.000000 5.524081 -0.001742\n3.271338 0.000000 0.000000\n0.000000 -0.003948 -11.009592\nZn Cr O\n4 4 10\ndirect\n0.652741 0.500000 0.883675 Zn\n0.264285 0.500000 0.099744 Zn\n0.152765 0.500000 0.616323 Zn\n0.764311 0.500000 0.400258 Zn\n0.629899 0.000000 0.635494 Cr\n0.252792 0.000000 0.360918 Cr\n0.752775 0.000000 0.139080 Cr\n0.129889 0.000000 0.864501 Cr\n0.797248 0.500000 0.608163 O\n0.277362 0.000000 0.691718 O\n0.297220 0.500000 0.891838 O\n0.653643 0.500000 0.063583 O\n0.554709 0.000000 0.456897 O\n0.417334 0.000000 0.211694 O\n0.917330 0.000000 0.288306 O\n0.054683 0.000000 0.043098 O\n0.777346 0.000000 0.808290 O\n0.153661 0.500000 0.436418 O\n",
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"formula_full": "Zn4 Cr4 O10",
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{
"id": "jvasp-9624",
"created_at": "2022-09-04T14:37:19.373940Z",
"updated_at": "2022-09-04T14:37:19.373964Z",
"structure_string": "Ca4 Cr4 O10\n1.0\n0.000000 5.289397 -0.000072\n3.918151 0.000000 0.000000\n0.000000 -0.000341 -10.196716\nCa Cr O\n4 4 10\ndirect\n0.787170 0.500000 0.879245 Ca\n0.212833 0.500000 0.120755 Ca\n0.287171 0.500000 0.620758 Ca\n0.712830 0.500000 0.379243 Ca\n0.765274 0.000000 0.632235 Cr\n0.234726 0.000000 0.367766 Cr\n0.734725 0.000000 0.132232 Cr\n0.265276 0.000000 0.867767 Cr\n0.788475 0.500000 0.611806 O\n0.102200 0.000000 0.703429 O\n0.288475 0.500000 0.888196 O\n0.711524 0.500000 0.111803 O\n0.500001 0.000000 0.500000 O\n0.397807 0.000000 0.203433 O\n0.897803 0.000000 0.296571 O\n0.000002 0.000000 0.000001 O\n0.602195 0.000000 0.796568 O\n0.211523 0.500000 0.388195 O\n",
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{
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"created_at": "2022-09-04T14:38:03.283901Z",
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"structure_string": "Cd4 B4 O10\n1.0\n3.476990 -0.031165 0.016989\n-0.199045 6.395923 0.022198\n-0.158152 -2.683768 9.681674\nCd B O\n4 4 10\ndirect\n0.752995 0.219619 0.875733 Cd\n0.247004 0.780379 0.124267 Cd\n0.775437 0.654645 0.407176 Cd\n0.224562 0.345354 0.592824 Cd\n0.684566 0.127733 0.319798 B\n0.315433 0.872265 0.680202 B\n0.666384 0.672660 0.844233 B\n0.333615 0.327338 0.155767 B\n0.741150 0.712322 0.982069 O\n0.258849 0.287676 0.017931 O\n0.812960 0.924129 0.303281 O\n0.187039 0.075869 0.696719 O\n0.486519 0.155945 0.201631 O\n0.269760 0.703801 0.563625 O\n0.513480 0.844054 0.798369 O\n0.278810 0.524725 0.246822 O\n0.730239 0.296197 0.436375 O\n0.721189 0.475273 0.753178 O\n",
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{
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"created_at": "2022-09-04T14:37:19.190960Z",
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"structure_string": "Ca4 Mn4 O10\n1.0\n3.807996 0.000000 0.000000\n0.000000 5.409685 0.000000\n0.000000 -0.000000 10.191991\nCa Mn O\n4 4 10\ndirect\n0.500001 0.188963 0.867210 Ca\n0.500001 0.811038 0.132790 Ca\n0.500001 0.688963 0.632790 Ca\n0.500001 0.311038 0.367210 Ca\n0.000000 0.216994 0.619219 Mn\n0.000000 0.783007 0.380781 Mn\n0.000000 0.283007 0.119219 Mn\n0.000000 0.716994 0.880781 Mn\n0.500001 0.207151 0.601703 O\n0.000000 0.917630 0.714318 O\n0.500001 0.707151 0.898297 O\n0.500001 0.292850 0.101703 O\n0.000000 0.500000 0.500000 O\n0.000000 0.582372 0.214318 O\n0.000000 0.082371 0.285682 O\n0.000000 0.000000 0.000000 O\n0.000000 0.417629 0.785682 O\n0.500001 0.792850 0.398297 O\n",
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{
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"structure_string": "U2 Cl5 O2\n1.0\n4.123268 0.000000 0.000000\n0.000000 7.200301 -3.619186\n0.000000 -0.005754 8.058710\nU Cl O\n2 5 2\ndirect\n0.000000 0.800455 0.199545 U\n0.000000 0.199545 0.800455 U\n0.000000 0.172705 0.448423 Cl\n0.000000 0.827295 0.551576 Cl\n0.000000 0.000000 0.000000 Cl\n0.000000 0.448423 0.172705 Cl\n0.000000 0.551577 0.827295 Cl\n0.500000 0.800117 0.199883 O\n0.500000 0.199884 0.800117 O\n",
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]
}