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"results": [
{
"id": "jvasp-117269",
"created_at": "2022-09-04T14:38:47.137725Z",
"updated_at": "2022-09-04T14:38:47.137746Z",
"structure_string": "Y6 Cu2 Si2 Se14\n1.0\n10.323705 -0.000000 0.000000\n-5.161853 8.940590 0.000000\n-0.000000 -0.000000 6.014837\nY Cu Si Se\n6 2 2 14\ndirect\n0.222517 0.356227 0.923117 Y\n0.643773 0.866290 0.923117 Y\n0.866290 0.222517 0.423117 Y\n0.777483 0.643773 0.423117 Y\n0.133710 0.777483 0.923117 Y\n0.356227 0.133710 0.423117 Y\n0.000000 0.000000 0.969587 Cu\n0.000000 0.000000 0.469586 Cu\n0.666666 0.333333 0.834646 Si\n0.333333 0.666667 0.334646 Si\n0.100634 0.837668 0.452945 Se\n0.899366 0.162332 0.952945 Se\n0.666666 0.333333 0.213121 Se\n0.901200 0.478746 0.678791 Se\n0.333333 0.666667 0.713121 Se\n0.577545 0.098799 0.678791 Se\n0.422455 0.901201 0.178791 Se\n0.478746 0.577545 0.178791 Se\n0.162332 0.262965 0.452945 Se\n0.262965 0.100633 0.952945 Se\n0.098799 0.521254 0.178791 Se\n0.837668 0.737035 0.952945 Se\n0.737035 0.899367 0.452945 Se\n0.521254 0.422455 0.678791 Se\n",
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{
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"structure_string": "Fe2 Cu10 Sb4 S13\n1.0\n8.453567 -0.013714 -2.996545\n-4.223451 7.322940 -2.996545\n0.007937 0.013714 8.968948\nFe Cu Sb S\n2 10 4 13\ndirect\n0.777124 0.777124 -0.000000 Fe\n0.222877 0.222877 -0.000000 Fe\n0.500000 0.748987 0.248986 Cu\n0.251014 0.500000 0.751013 Cu\n0.750001 0.250000 0.500000 Cu\n0.748987 0.500000 0.248986 Cu\n0.500000 0.251013 0.751013 Cu\n0.250000 0.750000 0.500000 Cu\n0.000000 0.776900 0.776900 Cu\n0.776901 0.000000 0.776901 Cu\n0.000000 0.223099 0.223099 Cu\n0.223100 0.000000 0.223099 Cu\n0.548365 0.995046 -0.000001 Sb\n0.995047 0.548365 -0.000000 Sb\n0.451636 0.451635 0.446681 Sb\n0.004954 0.004954 0.553319 Sb\n0.233259 0.750260 0.751555 S\n0.000000 0.000000 0.000000 S\n0.521766 0.521765 0.771732 S\n0.766742 0.518296 0.517001 S\n0.518297 0.766741 0.517001 S\n0.750034 0.750034 0.228268 S\n0.001294 0.249739 0.482999 S\n0.249739 0.001294 0.482999 S\n0.249966 0.478235 -0.000000 S\n0.998707 0.481704 0.248445 S\n0.750261 0.233259 0.751555 S\n0.478235 0.249966 -0.000000 S\n0.481704 0.998706 0.248445 S\n",
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{
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"updated_at": "2022-09-04T14:38:06.586908Z",
"structure_string": "Zn4 C8 S8 N8\n1.0\n7.044362 -0.008263 2.511121\n-0.314024 7.647360 2.062238\n0.041248 -0.046211 10.312923\nZn C S N\n4 8 8 8\ndirect\n0.685643 0.396062 0.833457 Zn\n0.781562 0.065379 0.318900 Zn\n0.218439 0.934621 0.681100 Zn\n0.314358 0.603938 0.166543 Zn\n0.563257 0.103484 0.115296 C\n0.869095 0.703887 0.887827 C\n0.010878 0.255803 0.607917 C\n0.606261 0.424654 0.305882 C\n0.130906 0.296113 0.112173 C\n0.989123 0.744198 0.392082 C\n0.436744 0.896516 0.884704 C\n0.393740 0.575347 0.694117 C\n0.176701 0.168370 0.497092 S\n0.273954 0.680221 0.594018 S\n0.476339 0.039462 0.730994 S\n0.956849 0.882268 0.899158 S\n0.823300 0.831630 0.502908 S\n0.043151 0.117733 0.100842 S\n0.726047 0.319780 0.405981 S\n0.523661 0.960538 0.269006 S\n0.590748 0.203628 0.004272 N\n0.889484 0.318515 0.685408 N\n0.481519 0.496013 0.762870 N\n0.518482 0.503987 0.237129 N\n0.198489 0.423841 0.116907 N\n0.409253 0.796372 0.995727 N\n0.110517 0.681486 0.314591 N\n0.801512 0.576159 0.883093 N\n",
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{
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"created_at": "2022-09-04T14:36:59.873840Z",
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"structure_string": "Rb6 Na2\n1.0\n9.308079 0.000000 0.000000\n-4.654040 8.061032 0.000000\n0.000000 -0.000000 7.403040\nRb Na\n6 2\ndirect\n0.827427 0.172573 0.750000 Rb\n0.345147 0.172573 0.750000 Rb\n0.827427 0.654853 0.750000 Rb\n0.172573 0.827426 0.250000 Rb\n0.654853 0.827426 0.250000 Rb\n0.172573 0.345146 0.250000 Rb\n0.666667 0.333333 0.250000 Na\n0.333333 0.666666 0.750000 Na\n",
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{
"id": "jvasp-96939",
"created_at": "2022-09-04T14:36:10.599830Z",
"updated_at": "2022-09-04T14:36:10.599857Z",
"structure_string": "C8 S4 O16 F16\n1.0\n6.195741 0.000000 0.000000\n0.000000 8.295944 -2.430621\n0.000000 -0.253013 10.883931\nC S O F\n8 4 16 16\ndirect\n0.633655 0.749035 0.161039 C\n0.715110 0.662020 0.562429 C\n0.366344 0.250965 0.838961 C\n0.784890 0.162020 0.562429 C\n0.866344 0.249035 0.161039 C\n0.284890 0.337980 0.437571 C\n0.133656 0.750965 0.838961 C\n0.215110 0.837980 0.437571 C\n0.118119 0.171764 0.218332 S\n0.881880 0.828236 0.781668 S\n0.381880 0.671763 0.218332 S\n0.618119 0.328237 0.781668 S\n0.208711 0.672989 0.133193 O\n0.416242 0.236619 0.436521 O\n0.562434 0.465761 0.742327 O\n0.132997 0.335633 0.347439 O\n0.583758 0.763381 0.563479 O\n0.708711 0.827011 0.866807 O\n0.083758 0.736619 0.436521 O\n0.867003 0.664367 0.652561 O\n0.291288 0.172989 0.133193 O\n0.437566 0.534239 0.257673 O\n0.632997 0.164367 0.652561 O\n0.062434 0.034239 0.257673 O\n0.916242 0.263381 0.563479 O\n0.367003 0.835633 0.347439 O\n0.937566 0.965761 0.742327 O\n0.791288 0.327011 0.866807 O\n0.709174 0.255897 0.246281 F\n0.316082 0.358989 0.953074 F\n0.098533 0.604583 0.853209 F\n0.209174 0.244103 0.753719 F\n0.401467 0.104583 0.853209 F\n0.790826 0.755897 0.246281 F\n0.683917 0.641011 0.046926 F\n0.264728 0.479369 0.530603 F\n0.183917 0.858989 0.953074 F\n0.901467 0.395417 0.146791 F\n0.235272 0.979368 0.530603 F\n0.764728 0.020631 0.469397 F\n0.816082 0.141011 0.046926 F\n0.290826 0.744103 0.753719 F\n0.735271 0.520631 0.469397 F\n0.598533 0.895417 0.146791 F\n",
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{
"id": "jvasp-36937",
"created_at": "2022-09-04T14:38:35.723452Z",
"updated_at": "2022-09-04T14:38:35.723477Z",
"structure_string": "Ba4 Zr4 Se12\n1.0\n4.057031 0.000000 0.000000\n0.000000 9.096798 0.000000\n0.000000 0.000000 15.056458\nBa Zr Se\n4 4 12\ndirect\n0.750000 0.068130 0.325985 Ba\n0.250000 0.931871 0.674016 Ba\n0.750000 0.568130 0.174016 Ba\n0.250000 0.431871 0.825985 Ba\n0.250000 0.163546 0.059831 Zr\n0.750000 0.836454 0.940169 Zr\n0.250000 0.663546 0.440169 Zr\n0.750000 0.336454 0.559831 Zr\n0.750000 0.712290 0.785771 Se\n0.250000 0.287710 0.214229 Se\n0.750000 0.473815 0.393853 Se\n0.250000 0.526185 0.606147 Se\n0.750000 0.973815 0.106147 Se\n0.250000 0.667700 0.005106 Se\n0.250000 0.167700 0.494894 Se\n0.750000 0.832300 0.505106 Se\n0.250000 0.787711 0.285771 Se\n0.750000 0.332300 0.994895 Se\n0.250000 0.026185 0.893853 Se\n0.750000 0.212290 0.714229 Se\n",
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{
"id": "jvasp-119672",
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"updated_at": "2022-09-04T14:38:36.707056Z",
"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n7.171213 -0.000000 0.000000\n0.000000 7.277131 0.000000\n-0.000000 -0.000000 10.649043\nTi Cr Ag S\n4 4 4 16\ndirect\n0.750000 -0.000041 0.250014 Ti\n0.250000 0.000041 0.749986 Ti\n0.250000 0.500041 0.750014 Ti\n0.750000 0.499958 0.249986 Ti\n0.250000 0.250016 0.110118 Cr\n0.750000 0.749984 0.889881 Cr\n0.750000 0.249984 0.610118 Cr\n0.250000 0.750016 0.389882 Cr\n0.250000 0.750067 0.112261 Ag\n0.750000 0.249933 0.887739 Ag\n0.750000 0.749933 0.612261 Ag\n0.250000 0.250067 0.387739 Ag\n0.250000 0.973611 0.523769 S\n0.750000 0.026389 0.476231 S\n0.250000 0.026451 0.976205 S\n0.750000 0.973549 0.023794 S\n0.750000 0.473549 0.476206 S\n0.250000 0.526451 0.523794 S\n0.483749 0.250011 0.728470 S\n0.983749 0.749989 0.271530 S\n0.516251 0.249989 0.228470 S\n0.483749 0.750011 0.771530 S\n0.016251 0.750011 0.771530 S\n0.983749 0.249989 0.228470 S\n0.250000 0.473611 0.976231 S\n0.016251 0.250011 0.728470 S\n0.516251 0.749989 0.271530 S\n0.750000 0.526389 0.023769 S\n",
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{
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"structure_string": "La8 P16\n1.0\n7.828010 -0.000546 -4.167373\n-2.280652 7.539599 -4.227931\n0.005508 -0.001698 9.417595\nLa P\n8 16\ndirect\n0.421658 0.225562 0.045791 La\n0.836182 0.983494 0.414258 La\n0.421925 0.069236 0.585742 La\n0.058219 0.056547 0.115824 La\n0.942395 0.440722 0.884176 La\n0.610744 0.668313 0.576828 La\n0.033916 0.591486 0.423172 La\n0.375867 0.679771 0.954209 La\n0.649302 0.604722 0.240162 P\n0.409140 0.864560 0.759838 P\n0.063534 0.805074 0.257470 P\n0.806064 0.047604 0.742530 P\n0.182910 0.278754 0.731142 P\n0.997302 0.696146 0.765678 P\n0.231624 0.430468 0.234322 P\n0.674081 0.918799 0.008975 P\n0.665107 0.409824 0.991025 P\n0.556615 0.466912 0.758425 P\n0.798190 0.208487 0.241574 P\n0.679739 0.284542 0.434315 P\n0.245424 0.350228 0.565685 P\n0.451767 0.047611 0.268857 P\n0.282106 0.681820 0.245311 P\n0.036795 0.936509 0.754689 P\n",
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{
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"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
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{
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"created_at": "2022-09-04T14:38:35.096419Z",
"updated_at": "2022-09-04T14:38:35.096446Z",
"structure_string": "Ba6 Si4 As8\n1.0\n7.500567 0.010362 -2.004839\n-3.383355 7.380706 -2.626198\n0.001794 -0.001432 10.043044\nBa Si As\n6 4 8\ndirect\n0.939567 0.189566 0.379133 Ba\n0.183850 0.433851 0.867700 Ba\n0.816151 0.566150 0.132300 Ba\n0.306833 0.056833 0.113667 Ba\n0.693168 0.943168 0.886332 Ba\n0.060434 0.810434 0.620867 Ba\n0.624335 0.467498 0.638558 Si\n0.485777 0.828939 0.361441 Si\n0.375666 0.532503 0.361441 Si\n0.514224 0.171061 0.638558 Si\n0.915329 0.669075 0.858088 As\n0.244069 0.952458 0.395541 As\n0.084672 0.330925 0.141911 As\n0.755932 0.047543 0.604459 As\n0.348529 0.556917 0.604459 As\n0.651472 0.443084 0.395540 As\n0.442760 0.189013 0.858088 As\n0.557241 0.810988 0.141911 As\n",
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"created_at": "2022-09-04T14:36:00.818567Z",
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"structure_string": "Ca4 B12 H20 O32\n1.0\n6.072599 -0.036451 0.000000\n-3.042613 8.236271 0.000000\n0.000000 0.000000 11.147915\nCa B H O\n4 12 20 32\ndirect\n0.262041 0.118711 0.705760 Ca\n0.739710 0.386214 0.289162 Ca\n0.260290 0.613786 0.789163 Ca\n0.737960 0.881289 0.205760 Ca\n0.318144 0.084088 0.289871 B\n0.508971 0.974272 0.449769 B\n0.166329 0.786483 0.331657 B\n0.491030 0.025728 0.949770 B\n0.495862 0.528024 0.551216 B\n0.681856 0.915912 0.789872 B\n0.837355 0.715231 0.669834 B\n0.833671 0.213517 0.831657 B\n0.680567 0.421978 0.718649 B\n0.319434 0.578022 0.218648 B\n0.162645 0.284769 0.169834 B\n0.504138 0.471976 0.051216 B\n0.698626 0.820648 0.473728 H\n0.704387 0.324593 0.022261 H\n0.657393 0.646344 0.924324 H\n0.342607 0.353656 0.424324 H\n0.978294 0.042378 0.474770 H\n0.319479 0.939638 0.110187 H\n0.765722 0.306368 0.535092 H\n0.027878 0.449188 0.527451 H\n0.234279 0.693632 0.035092 H\n0.966278 0.776039 0.000162 H\n0.301375 0.179352 0.973728 H\n0.861023 0.666859 0.421615 H\n0.140495 0.835884 0.578305 H\n0.138977 0.333141 0.921615 H\n0.295613 0.675407 0.522261 H\n0.972123 0.550812 0.027450 H\n0.680522 0.060362 0.610188 H\n0.021707 0.957622 0.974770 H\n0.859506 0.164116 0.078304 H\n0.033723 0.223961 0.500162 H\n0.096807 0.641623 0.983774 O\n0.321063 0.725678 0.258629 O\n0.481476 0.412196 0.652596 O\n0.705549 0.916096 0.422680 O\n0.721848 0.664769 0.553125 O\n0.516315 0.549597 0.933725 O\n0.722585 0.160165 0.948251 O\n0.681049 0.770450 0.746105 O\n0.481887 0.905312 0.853880 O\n0.071771 0.837240 0.659852 O\n0.464216 0.946030 0.068545 O\n0.862939 0.567082 0.730559 O\n0.318951 0.229550 0.246104 O\n0.518524 0.587804 0.152595 O\n0.928229 0.162760 0.159852 O\n0.070464 0.332969 0.839993 O\n0.903194 0.358377 0.483774 O\n0.146618 0.935116 0.266488 O\n0.535785 0.053970 0.568545 O\n0.104929 0.138002 0.510211 O\n0.895072 0.861998 0.010211 O\n0.277416 0.839835 0.448251 O\n0.289443 0.580388 0.573583 O\n0.483685 0.450403 0.433725 O\n0.710558 0.419612 0.073582 O\n0.278153 0.335231 0.053125 O\n0.137061 0.432918 0.230559 O\n0.929537 0.667031 0.339993 O\n0.294451 0.083904 0.922680 O\n0.518114 0.094688 0.353879 O\n0.678937 0.274322 0.758629 O\n0.853382 0.064884 0.766489 O\n",
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"elements": [
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],
"chemical_system": "B-Ca-H-O",
"density": 2.454048355969024,
"density_atomic": 0.1222289614252519,
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"volume_molar": 4.926934410452952,
"formula_full": "Ca4 B12 H20 O32",
"formula_reduced": "CaB3H5O8",
"formula_anonymous": "AB3C5D8",
"energy_above_hull": 3.2058691864705886,
"spacegroup": 4
},
{
"id": "jvasp-96544",
"created_at": "2022-09-04T14:35:45.015257Z",
"updated_at": "2022-09-04T14:35:45.015284Z",
"structure_string": "Tb6 Cu2 Si2 Se14\n1.0\n10.342688 -0.000000 0.000000\n-5.171344 8.957030 -0.000000\n0.000000 0.000000 6.005754\nTb Cu Si Se\n6 2 2 14\ndirect\n0.132575 0.356277 0.739548 Tb\n0.643723 0.776297 0.739548 Tb\n0.223703 0.867425 0.739548 Tb\n0.776298 0.132575 0.239548 Tb\n0.867426 0.643723 0.239548 Tb\n0.356277 0.223703 0.239548 Tb\n0.000000 0.000000 0.195793 Cu\n0.000000 0.000000 0.695792 Cu\n0.666667 0.333333 0.827780 Si\n0.333333 0.666667 0.327781 Si\n0.421536 0.521107 0.482508 Se\n0.478894 0.900429 0.482508 Se\n0.737757 0.837027 0.211920 Se\n0.099270 0.262244 0.211920 Se\n0.262244 0.162973 0.711920 Se\n0.333333 0.666667 0.949895 Se\n0.837027 0.099270 0.711920 Se\n0.900730 0.737756 0.711920 Se\n0.900430 0.421536 0.982507 Se\n0.162974 0.900730 0.211920 Se\n0.578464 0.478893 0.982507 Se\n0.666667 0.333333 0.449895 Se\n0.521107 0.099571 0.982507 Se\n0.099571 0.578464 0.482508 Se\n",
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],
"chemical_system": "Cu-Se-Si-Tb",
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"formula_full": "Tb6 Cu2 Si2 Se14",
"formula_reduced": "Tb3CuSiSe7",
"formula_anonymous": "ABC3D7",
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"spacegroup": 173
}
]
}