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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1302",
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"results": [
{
"id": "jvasp-86409",
"created_at": "2022-09-04T14:36:15.341701Z",
"updated_at": "2022-09-04T14:36:15.341727Z",
"structure_string": "Li4 B4 Ir4\n1.0\n5.333837 -0.006437 -1.555688\n-2.674149 4.615060 -1.555688\n-0.003288 -0.005696 6.094413\nLi B Ir\n4 4 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000001 0.499999 Li\n0.500000 0.499999 0.499999 Li\n-0.000000 0.500000 -0.000000 Li\n0.948436 0.051563 0.749999 B\n0.698436 0.301563 0.249999 B\n0.301563 0.698435 0.749999 B\n0.051563 0.948436 0.249999 B\n0.258547 0.008547 0.017093 Ir\n0.741452 0.991452 0.982905 Ir\n0.008546 0.258546 0.517093 Ir\n0.991453 0.741452 0.482905 Ir\n",
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{
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"structure_string": "Ti2 Si4\n1.0\n4.676382 -0.000653 -1.185266\n-2.768735 3.768641 -1.185266\n-0.003973 -0.007847 4.931802\nTi Si\n2 4\ndirect\n0.875000 0.125000 0.249999 Ti\n0.125001 0.874999 0.749999 Ti\n0.538974 0.461027 0.249999 Si\n0.211027 0.788973 0.249999 Si\n0.788974 0.211027 0.749999 Si\n0.461027 0.538973 0.749999 Si\n",
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{
"id": "jvasp-97947",
"created_at": "2022-09-04T14:36:17.493829Z",
"updated_at": "2022-09-04T14:36:17.493855Z",
"structure_string": "Ti4 Sn4 Sb4\n1.0\n5.304585 0.000000 1.520439\n2.652292 4.919770 0.760219\n-0.047460 -0.000000 10.179251\nTi Sn Sb\n4 4 4\ndirect\n0.001441 0.250000 0.997118 Ti\n0.748558 0.250000 0.502882 Ti\n0.998558 0.750000 0.002882 Ti\n0.251440 0.750000 0.497119 Ti\n0.707741 0.584517 0.250000 Sn\n0.042258 0.915483 0.250000 Sn\n0.292258 0.415483 0.750000 Sn\n0.957741 0.084517 0.750000 Sn\n0.452539 0.250000 0.094921 Sb\n0.297460 0.250000 0.405080 Sb\n0.547459 0.750000 0.905080 Sb\n0.702539 0.750000 0.594921 Sb\n",
"nsites": 12,
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"volume": 266.0063661895069,
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"formula_full": "Ti4 Sn4 Sb4",
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"spacegroup": 70
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{
"id": "jvasp-63377",
"created_at": "2022-09-04T14:36:18.264750Z",
"updated_at": "2022-09-04T14:36:18.264775Z",
"structure_string": "B4 N4\n1.0\n2.514390 3.275901 0.963900\n-2.514390 3.275901 0.963900\n0.000000 2.283948 4.336399\nB N\n4 4\ndirect\n0.026022 0.276021 0.447962 B\n0.723979 0.973977 0.052038 B\n0.973977 0.723979 0.552038 B\n0.276021 0.026023 0.947962 B\n0.053399 0.303346 0.749950 N\n0.696654 0.946601 0.750051 N\n0.946601 0.696654 0.250051 N\n0.303346 0.053399 0.249949 N\n",
"nsites": 8,
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"elements": [
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},
{
"id": "jvasp-86115",
"created_at": "2022-09-04T14:36:18.758796Z",
"updated_at": "2022-09-04T14:36:18.758806Z",
"structure_string": "Ba2 Cu4 P8\n1.0\n5.296653 -0.000000 1.517277\n2.648325 5.166917 0.758639\n0.016138 -0.000000 9.947325\nBa Cu P\n2 4 8\ndirect\n0.125001 0.750000 0.750000 Ba\n0.875000 0.250000 0.250000 Ba\n0.253076 0.250000 0.493848 Cu\n0.746925 0.750000 0.506153 Cu\n0.496924 0.250000 0.006152 Cu\n0.503076 0.750000 0.993848 Cu\n0.828321 0.370147 0.858543 P\n0.313137 0.129853 0.858543 P\n0.442992 0.870147 0.358543 P\n0.557009 0.129853 0.641458 P\n0.198468 0.629853 0.358543 P\n0.686863 0.870147 0.141458 P\n0.801533 0.370147 0.641458 P\n0.171680 0.629853 0.141458 P\n",
"nsites": 14,
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"elements": [
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"density": 4.739415234180025,
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{
"id": "jvasp-98283",
"created_at": "2022-09-04T14:36:19.200732Z",
"updated_at": "2022-09-04T14:36:19.200754Z",
"structure_string": "K2 Sn12 Au8\n1.0\n6.638034 -0.022197 -1.508319\n-1.345193 6.495609 -1.507166\n-0.009655 -0.009472 13.070946\nK Sn Au\n2 12 8\ndirect\n0.375000 0.625019 0.250012 K\n0.625000 0.374981 0.749988 K\n0.242104 0.489479 0.479960 Sn\n0.262200 0.009542 0.519996 Sn\n0.020695 0.979348 0.249993 Sn\n0.990353 0.737720 0.980005 Sn\n0.737801 0.990458 0.480004 Sn\n0.270715 0.729346 0.750010 Sn\n0.510419 0.757807 0.020034 Sn\n0.009648 0.262280 0.019995 Sn\n0.757897 0.510521 0.520040 Sn\n0.729285 0.270654 0.249990 Sn\n0.489582 0.242193 0.979966 Sn\n0.979305 0.020652 0.750007 Sn\n0.687853 0.937795 0.875673 Au\n0.567245 0.817303 0.634560 Au\n0.937791 0.687833 0.375648 Au\n0.062210 0.312167 0.624352 Au\n0.312147 0.062205 0.124327 Au\n0.817285 0.567238 0.134533 Au\n0.182715 0.432762 0.865467 Au\n0.432756 0.182697 0.365440 Au\n",
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"elements": [
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],
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"density": 9.079808363733514,
"density_atomic": 0.03907673604156199,
"volume": 562.994820667745,
"volume_molar": 15.411063896418716,
"formula_full": "K2 Sn12 Au8",
"formula_reduced": "K(Sn3Au2)2",
"formula_anonymous": "AB4C6",
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{
"id": "jvasp-63879",
"created_at": "2022-09-04T14:36:19.898352Z",
"updated_at": "2022-09-04T14:36:19.898366Z",
"structure_string": "Ca2 B4 H16\n1.0\n-0.000000 4.361789 6.407195\n3.679672 -0.000000 6.407195\n3.679672 4.361789 0.000000\nCa B H\n2 4 16\ndirect\n0.375001 0.375000 0.875000 Ca\n0.625001 0.625000 0.124999 Ca\n0.148027 0.148027 0.101973 B\n0.601974 0.601973 0.648026 B\n0.851974 0.851973 0.898026 B\n0.398027 0.398027 0.351973 B\n0.785950 0.528678 0.691058 H\n0.994315 0.191059 0.028677 H\n0.808942 0.005685 0.714051 H\n0.471323 0.214051 0.505685 H\n0.214052 0.471322 0.308941 H\n0.005686 0.808941 0.971322 H\n0.655981 0.938017 0.086700 H\n0.938018 0.655980 0.819300 H\n0.586701 0.319301 0.155980 H\n0.528679 0.785949 0.494314 H\n0.344020 0.061983 0.913299 H\n0.680700 0.413299 0.561983 H\n0.413300 0.680699 0.844019 H\n0.061983 0.344020 0.180699 H\n0.319301 0.586701 0.438017 H\n0.191059 0.994315 0.285948 H\n",
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{
"id": "jvasp-98015",
"created_at": "2022-09-04T14:36:20.307190Z",
"updated_at": "2022-09-04T14:36:20.307205Z",
"structure_string": "Ba8 In16 S32\n1.0\n12.320625 0.000229 -3.421455\n-7.066824 10.092462 -3.421455\n-0.011783 -0.022635 12.838802\nBa In S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Ba\n0.872342 0.622342 0.244683 Ba\n0.377658 0.127658 0.255316 Ba\n0.127658 0.377658 0.755316 Ba\n0.125000 0.874999 0.749999 Ba\n0.625000 0.375000 0.749999 Ba\n0.375000 0.625000 0.250000 Ba\n0.622342 0.872341 0.744683 Ba\n0.887287 0.861384 0.998763 In\n0.862620 0.388523 0.501235 In\n0.138615 0.112712 0.501236 In\n0.611476 0.137379 0.998763 In\n0.112713 0.138615 0.001236 In\n0.137379 0.611476 0.498764 In\n0.388524 0.862620 0.001236 In\n0.861384 0.887287 0.498763 In\n0.356618 0.463717 0.500132 In\n0.963585 0.356484 0.999866 In\n0.463718 0.356618 0.000133 In\n0.356485 0.963584 0.499866 In\n0.643382 0.536282 0.499867 In\n0.036415 0.643515 0.000133 In\n0.536282 0.643382 0.999866 In\n0.643515 0.036415 0.500132 In\n0.086964 0.586269 0.670842 S\n0.083878 0.084573 0.670843 S\n0.413731 0.913035 0.829156 S\n0.915426 0.916121 0.829156 S\n0.814310 0.147774 0.997587 S\n0.084574 0.083878 0.170843 S\n0.150186 0.316722 0.502412 S\n0.852226 0.185689 0.502411 S\n0.683277 0.849813 0.997587 S\n0.185690 0.852226 0.002412 S\n0.849814 0.683277 0.497587 S\n0.147774 0.814310 0.497587 S\n0.316722 0.150186 0.002412 S\n0.158235 0.346989 0.002570 S\n0.344420 0.655665 0.497430 S\n0.653010 0.841765 0.497429 S\n0.344335 0.655580 0.002570 S\n0.586269 0.086964 0.170842 S\n0.841765 0.653010 0.997429 S\n0.346989 0.158235 0.502570 S\n0.655665 0.344419 0.997429 S\n0.585140 0.085108 0.671681 S\n0.413427 0.413459 0.828318 S\n0.914892 0.414859 0.828318 S\n0.586541 0.586573 0.671681 S\n0.414859 0.914892 0.328318 S\n0.586573 0.586541 0.171681 S\n0.085108 0.585140 0.171681 S\n0.413459 0.413426 0.328318 S\n0.913036 0.413731 0.329157 S\n0.655580 0.344335 0.502569 S\n0.916121 0.915426 0.329156 S\n",
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],
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{
"id": "jvasp-93740",
"created_at": "2022-09-04T14:36:20.659844Z",
"updated_at": "2022-09-04T14:36:20.659858Z",
"structure_string": "Ga4 Ru2\n1.0\n4.148520 2.390896 0.000000\n-4.148520 2.390896 0.000000\n-0.000000 -2.390896 4.368163\nGa Ru\n4 2\ndirect\n0.955254 0.544747 0.749999 Ga\n0.294746 0.205253 0.749999 Ga\n0.044746 0.455254 0.250000 Ga\n0.705255 0.794747 0.250000 Ga\n0.625000 0.875000 0.749999 Ru\n0.375000 0.125000 0.250000 Ru\n",
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{
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"created_at": "2022-09-04T14:36:31.575605Z",
"updated_at": "2022-09-04T14:36:31.575623Z",
"structure_string": "Al4 Ru2\n1.0\n4.549190 -0.006421 -1.121635\n-2.625504 3.715090 -1.121635\n0.002053 0.003958 5.020418\nAl Ru\n4 2\ndirect\n0.796264 0.203736 0.750001 Al\n0.453736 0.546265 0.750001 Al\n0.203736 0.796265 0.250001 Al\n0.546265 0.453736 0.250001 Al\n0.125001 0.875001 0.750001 Ru\n0.875000 0.125000 0.250001 Ru\n",
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},
{
"id": "jvasp-13059",
"created_at": "2022-09-04T14:36:42.914341Z",
"updated_at": "2022-09-04T14:36:42.914362Z",
"structure_string": "Li4 Au4 S4\n1.0\n5.721637 0.056078 -2.834451\n-1.349494 5.560498 -2.834451\n-0.042226 -0.054245 7.216516\nLi Au S\n4 4 4\ndirect\n0.776105 0.526104 0.052208 Li\n0.473896 0.223897 0.447793 Li\n0.223896 0.473897 0.947793 Li\n0.526104 0.776105 0.552209 Li\n0.500000 0.000000 0.000000 Au\n0.000000 0.500001 0.500001 Au\n0.000000 0.000000 0.000000 Au\n-0.000000 0.000000 0.500000 Au\n0.584558 0.415443 0.250001 S\n0.834558 0.165444 0.750001 S\n0.165443 0.834558 0.250001 S\n0.415443 0.584558 0.750001 S\n",
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"volume": 228.3946399416133,
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},
{
"id": "jvasp-55316",
"created_at": "2022-09-04T14:36:43.987342Z",
"updated_at": "2022-09-04T14:36:43.987355Z",
"structure_string": "Na8 Mn4 O10\n1.0\n5.451119 0.027726 -0.805337\n-2.662488 4.756745 -0.805337\n-0.013393 -0.022978 10.234015\nNa Mn O\n8 4 10\ndirect\n0.537552 0.787451 0.071191 Na\n0.716259 0.966362 0.428808 Na\n0.787451 0.537553 0.571191 Na\n0.283742 0.033640 0.571191 Na\n0.462449 0.212550 0.928808 Na\n0.033640 0.283742 0.071191 Na\n0.212551 0.462449 0.428808 Na\n0.966361 0.716260 0.928808 Na\n0.652394 0.347608 0.250000 Mn\n0.902394 0.097608 0.750000 Mn\n0.347607 0.652394 0.750000 Mn\n0.097607 0.902394 0.250000 Mn\n0.940570 0.690571 0.381140 O\n0.875001 0.125001 0.250000 O\n0.309431 0.059431 0.118860 O\n0.059431 0.309431 0.618860 O\n0.191564 0.441564 0.883126 O\n0.558438 0.808438 0.616873 O\n0.808437 0.558438 0.116873 O\n0.441564 0.191564 0.383126 O\n0.690570 0.940571 0.881139 O\n0.125000 0.875001 0.749999 O\n",
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],
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"volume": 265.9180691028067,
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]
}