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{
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"results": [
{
"id": "jvasp-103962",
"created_at": "2022-09-04T14:36:58.532589Z",
"updated_at": "2022-09-04T14:36:58.532614Z",
"structure_string": "Cd1 H4 C4 O4\n1.0\n3.551417 -0.113597 0.036432\n-0.367248 4.239989 -0.567799\n0.196468 -0.242186 8.086301\nCd H C O\n1 4 4 4\ndirect\n0.378527 0.679618 0.284364 Cd\n0.525681 0.992377 0.648300 H\n-0.030442 0.920271 0.697601 H\n0.608322 0.539768 0.838596 H\n0.072007 0.881216 0.920018 H\n0.978662 0.222186 0.522089 C\n0.807724 0.116979 0.681593 C\n0.796646 0.356682 0.837609 C\n0.909737 0.307230 0.988991 C\n0.908033 0.027981 0.383299 O\n0.200363 0.476963 0.526597 O\n0.100378 0.059307 0.013897 O\n0.866721 0.500633 0.132697 O\n",
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{
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"structure_string": "Nb1 Ga1 Tc2\n1.0\n3.835170 -0.000000 2.214236\n1.278390 3.615833 2.214236\n-0.000000 -0.000000 4.428473\nNb Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500001 Ga\n0.750000 0.749999 0.750001 Tc\n0.250000 0.250000 0.250000 Tc\n",
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{
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"created_at": "2022-09-04T14:37:51.786219Z",
"updated_at": "2022-09-04T14:37:51.786242Z",
"structure_string": "Al8 C2 N6 O2\n1.0\n5.373088 0.048556 0.000000\n-1.975279 4.997070 -0.000000\n0.000000 0.000000 8.983015\nAl C N O\n8 2 6 2\ndirect\n0.594616 0.405385 0.592424 Al\n0.957854 0.042147 0.675595 Al\n0.042147 0.957854 0.175595 Al\n0.542021 0.899437 0.391621 Al\n0.100564 0.457980 0.391621 Al\n0.457980 0.100564 0.891621 Al\n0.899437 0.542021 0.891621 Al\n0.405384 0.594616 0.092423 Al\n0.195372 0.804628 0.004301 C\n0.804628 0.195373 0.504302 C\n0.825500 0.174501 0.839196 N\n0.836067 0.673272 0.706367 N\n0.174501 0.825499 0.339195 N\n0.326729 0.163934 0.706367 N\n0.673271 0.836067 0.206367 N\n0.163933 0.326729 0.206367 N\n0.568693 0.431308 0.978031 O\n0.431308 0.568693 0.478031 O\n",
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"elements": [
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],
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"density_atomic": 0.07436393879105122,
"volume": 242.0528053331957,
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"formula_full": "Al8 C2 N6 O2",
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"spacegroup": 36
},
{
"id": "jvasp-33593",
"created_at": "2022-09-04T14:38:05.308941Z",
"updated_at": "2022-09-04T14:38:05.308951Z",
"structure_string": "Mo2 Pd2 H24 N8 O8\n1.0\n-3.732566 3.732770 7.773051\n3.732566 -3.732273 7.772812\n3.732566 3.732273 -7.772812\nMo Pd H N O\n2 2 24 8 8\ndirect\n0.875001 0.124999 0.750002 Mo\n0.124999 0.875002 0.249998 Mo\n0.375000 0.625001 0.750000 Pd\n0.625000 0.374999 0.250000 Pd\n0.014126 0.708348 0.528781 H\n0.679568 0.708347 0.194224 H\n0.708347 0.014119 0.028777 H\n0.485347 0.014122 0.805778 H\n0.679568 0.485345 0.971221 H\n0.708347 0.679569 0.694227 H\n0.485347 0.679569 0.471224 H\n0.985874 0.291653 0.471220 H\n0.320432 0.291653 0.805777 H\n0.291653 0.985881 0.971223 H\n0.014126 0.485346 0.305779 H\n0.985874 0.514655 0.694221 H\n0.514653 0.985878 0.194223 H\n0.309483 0.249644 0.440166 H\n0.249646 0.309480 0.940168 H\n0.869317 0.309478 0.559838 H\n0.309483 0.869317 0.059841 H\n0.750354 0.690521 0.059832 H\n0.690517 0.750357 0.559835 H\n0.130683 0.690522 0.440162 H\n0.690517 0.130683 0.940160 H\n0.514653 0.320431 0.528776 H\n0.291653 0.320432 0.305774 H\n0.320432 0.514656 0.028780 H\n0.651535 0.625605 0.025932 N\n0.099671 0.625604 0.474068 N\n0.625602 0.099669 0.974065 N\n0.625602 0.651536 0.525933 N\n0.348465 0.374396 0.974069 N\n0.900329 0.374397 0.525932 N\n0.374398 0.348464 0.474067 N\n0.374398 0.900331 0.025936 N\n0.255362 0.809496 0.445868 O\n0.190503 0.136368 0.445862 O\n0.136360 0.190503 0.945858 O\n0.744638 0.190505 0.554133 O\n0.190504 0.744642 0.054136 O\n0.809496 0.863632 0.554139 O\n0.863640 0.809498 0.054143 O\n0.809496 0.255359 0.945864 O\n",
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"elements": [
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],
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"density_atomic": 0.10157761963830658,
"volume": 433.1662836427295,
"volume_molar": 5.9286098467786426,
"formula_full": "Mo2 Pd2 H24 N8 O8",
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{
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"created_at": "2022-09-04T14:35:58.633928Z",
"updated_at": "2022-09-04T14:35:58.633944Z",
"structure_string": "Hf1 Mn2 Be1\n1.0\n2.834481 0.000000 0.000000\n0.000000 2.834481 0.000000\n-0.000000 0.000000 6.295205\nHf Mn Be\n1 2 1\ndirect\n0.500000 0.500000 0.745124 Hf\n0.000000 0.000000 0.060437 Mn\n0.500000 0.500000 0.249285 Mn\n0.000000 0.000000 0.445154 Be\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.07908661974993084,
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"formula_full": "Hf1 Mn2 Be1",
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"spacegroup": 99
},
{
"id": "jvasp-71525",
"created_at": "2022-09-04T14:36:06.953582Z",
"updated_at": "2022-09-04T14:36:06.953607Z",
"structure_string": "Hf1 Be1 Os1\n1.0\n1.598576 -2.768814 0.000000\n1.598576 2.768814 -0.000000\n-0.000000 -0.000000 5.129935\nHf Be Os\n1 1 1\ndirect\n0.333335 0.666668 0.682839 Hf\n0.000000 0.000000 0.032854 Be\n0.666668 0.333335 0.284308 Os\n",
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"elements": [
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],
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"density": 13.81224127830159,
"density_atomic": 0.06606209254716838,
"volume": 45.41182218619548,
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},
{
"id": "jvasp-33425",
"created_at": "2022-09-04T14:38:03.505337Z",
"updated_at": "2022-09-04T14:38:03.505354Z",
"structure_string": "P4 H24 N12 O4\n1.0\n8.240381 0.000000 -0.696598\n0.000000 8.621192 0.000000\n-0.029144 0.000000 5.376747\nP H N O\n4 24 12 4\ndirect\n0.250374 0.470820 0.670122 P\n0.749626 0.970820 0.829879 P\n0.749626 0.529180 0.329879 P\n0.250374 0.029180 0.170121 P\n0.230470 0.946864 0.580049 H\n0.769531 0.446864 0.919951 H\n0.769530 0.053136 0.419951 H\n0.230470 0.553136 0.080049 H\n0.251540 0.793412 0.383490 H\n0.748460 0.293412 0.116510 H\n0.251540 0.706588 0.883490 H\n0.519799 0.102490 0.177873 H\n0.480201 0.602490 0.322127 H\n0.480201 0.897510 0.822128 H\n0.519799 0.397510 0.677873 H\n0.748460 0.206588 0.616511 H\n0.585556 0.714363 0.127902 H\n0.414444 0.214363 0.372098 H\n0.095577 0.259892 0.548879 H\n0.904424 0.759891 0.951122 H\n0.904423 0.740108 0.451122 H\n0.985010 0.394501 0.686772 H\n0.095577 0.240108 0.048878 H\n0.014990 0.605498 0.313228 H\n0.985010 0.105499 0.186772 H\n0.414444 0.285637 0.872098 H\n0.585557 0.785637 0.627902 H\n0.014990 0.894501 0.813228 H\n0.221398 0.908407 0.398136 N\n0.408531 0.148503 0.211123 N\n0.778602 0.408407 0.101864 N\n0.778603 0.091593 0.601864 N\n0.221398 0.591592 0.898136 N\n0.591469 0.648503 0.288877 N\n0.901597 0.846662 0.818804 N\n0.408531 0.351497 0.711123 N\n0.098403 0.153338 0.181196 N\n0.901597 0.653337 0.318804 N\n0.098403 0.346662 0.681196 N\n0.591469 0.851497 0.788877 N\n0.735377 0.437092 0.567271 O\n0.264623 0.562908 0.432729 O\n0.735377 0.062908 0.067271 O\n0.264623 0.937092 0.932729 O\n",
"nsites": 44,
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"volume": 381.7993345738917,
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"formula_full": "P4 H24 N12 O4",
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{
"id": "jvasp-100974",
"created_at": "2022-09-04T14:36:43.636457Z",
"updated_at": "2022-09-04T14:36:43.636482Z",
"structure_string": "Er1 Pa3\n1.0\n4.704012 0.000000 0.000000\n0.000000 4.704012 0.000000\n-0.000000 0.000000 4.704012\nEr Pa\n1 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.000000 0.500000 Pa\n-0.000000 0.500000 0.500000 Pa\n0.500000 0.500000 -0.000000 Pa\n",
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},
{
"id": "jvasp-48227",
"created_at": "2022-09-04T14:38:10.884622Z",
"updated_at": "2022-09-04T14:38:10.884649Z",
"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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{
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"updated_at": "2022-09-04T14:38:00.277166Z",
"structure_string": "Ti2 Os1 Rh1\n1.0\n3.793147 -0.000000 2.189974\n1.264382 3.576213 2.189974\n-0.000000 -0.000000 4.379949\nTi Os Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.749999 0.749999 Ti\n0.500000 0.500000 0.499999 Os\n0.000000 0.000000 0.000000 Rh\n",
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},
{
"id": "jvasp-104901",
"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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"formula_full": "Tm2 Mn4 Si2 C2",
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{
"id": "jvasp-36401",
"created_at": "2022-09-04T14:37:06.245274Z",
"updated_at": "2022-09-04T14:37:06.245304Z",
"structure_string": "Ru1 C1\n1.0\n2.159306 2.159306 -0.000000\n2.159306 0.000000 -2.159306\n-0.000000 2.159306 -2.159306\nRu C\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 C\n",
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}
]
}