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{
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"results": [
{
"id": "jvasp-32786",
"created_at": "2022-09-04T14:38:29.358106Z",
"updated_at": "2022-09-04T14:38:29.358121Z",
"structure_string": "Sb4 Br12\n1.0\n6.727004 -0.000000 0.000000\n-0.000000 8.029006 0.000000\n0.000000 0.000000 9.809923\nSb Br\n4 12\ndirect\n0.477409 0.479537 0.250000 Sb\n0.977409 0.020463 0.750000 Sb\n0.522591 0.520464 0.750000 Sb\n0.022591 -0.020463 0.250000 Sb\n0.643252 0.313431 0.935722 Br\n0.653919 0.064232 0.250000 Br\n0.143252 0.186569 0.064278 Br\n0.143252 0.186569 0.435722 Br\n0.153920 0.435769 0.750000 Br\n0.346080 0.935769 0.750000 Br\n0.356748 0.686570 0.064278 Br\n0.856747 0.813431 0.935722 Br\n0.356748 0.686570 0.435722 Br\n0.856747 0.813431 0.564278 Br\n0.643252 0.313431 0.564278 Br\n0.846080 0.564232 0.250000 Br\n",
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{
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"updated_at": "2022-09-04T14:38:29.355316Z",
"structure_string": "Tl10 Te6\n1.0\n7.797283 -0.000000 -4.501179\n-2.598419 7.351587 -4.501179\n0.064594 0.091341 9.116007\nTl Te\n10 6\ndirect\n0.194359 0.991574 0.685933 Tl\n0.805640 0.008426 0.314067 Tl\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 -0.000000 Tl\n0.491573 0.694359 0.685933 Tl\n0.991573 0.491574 0.685933 Tl\n0.694359 0.194359 0.685933 Tl\n0.305641 0.805641 0.314067 Tl\n0.008426 0.508426 0.314067 Tl\n0.508426 0.305641 0.314067 Tl\n0.157419 0.342581 -0.000000 Te\n0.657419 0.157419 -0.000000 Te\n0.342581 0.842581 -0.000000 Te\n0.842581 0.657419 -0.000000 Te\n0.750000 0.750000 0.500000 Te\n0.250000 0.250000 0.500000 Te\n",
"nsites": 16,
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],
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"volume": 528.9630186187171,
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"formula_anonymous": "A3B5",
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},
{
"id": "jvasp-21190",
"created_at": "2022-09-04T14:38:29.348818Z",
"updated_at": "2022-09-04T14:38:29.348844Z",
"structure_string": "Mo2 Ir2 O12\n1.0\n0.000000 5.177998 0.003223\n5.274585 0.000000 0.000000\n0.000000 -5.181357 -7.439101\nMo Ir O\n2 2 12\ndirect\n0.000000 0.500000 0.000000 Mo\n-0.000000 0.000000 0.500000 Mo\n0.500000 0.500000 0.500000 Ir\n0.500000 0.000000 0.000000 Ir\n0.673923 0.486613 0.750086 O\n0.838554 0.202695 0.038592 O\n0.262102 0.202214 0.461889 O\n0.737898 0.702214 0.038111 O\n0.161447 0.702696 0.461408 O\n0.326077 0.986614 0.749915 O\n0.673923 0.013387 0.250086 O\n0.838553 0.297305 0.538592 O\n0.262102 0.297787 0.961889 O\n0.161446 0.797305 0.961408 O\n0.737898 0.797787 0.538111 O\n0.326077 0.513388 0.249915 O\n",
"nsites": 16,
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"density_atomic": 0.07878393621800048,
"volume": 203.08708561764314,
"volume_molar": 7.643868850797616,
"formula_full": "Mo2 Ir2 O12",
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"spacegroup": 14
},
{
"id": "jvasp-25500",
"created_at": "2022-09-04T14:38:14.380685Z",
"updated_at": "2022-09-04T14:38:14.380709Z",
"structure_string": "Lu4 B8 Ru4\n1.0\n5.245296 0.000000 0.000000\n0.000000 5.818954 0.000000\n0.000000 0.000000 6.297922\nLu B Ru\n4 8 4\ndirect\n0.250000 0.510919 0.664654 Lu\n0.750001 0.489081 0.335345 Lu\n0.250000 0.010919 0.835345 Lu\n0.750001 0.989080 0.164654 Lu\n0.915661 0.133326 0.534635 B\n0.415660 0.866674 0.465365 B\n0.584340 0.633325 0.965364 B\n0.084340 0.366674 0.034635 B\n0.084340 0.866674 0.465365 B\n0.915661 0.633325 0.965364 B\n0.415660 0.366674 0.034635 B\n0.584340 0.133326 0.534635 B\n0.750001 0.815884 0.682553 Ru\n0.750001 0.315885 0.817447 Ru\n0.250000 0.184115 0.317447 Ru\n0.250000 0.684115 0.182553 Ru\n",
"nsites": 16,
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"Ru"
],
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"volume": 192.22603268551944,
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"formula_full": "Lu4 B8 Ru4",
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{
"id": "jvasp-34751",
"created_at": "2022-09-04T14:38:14.411727Z",
"updated_at": "2022-09-04T14:38:14.411759Z",
"structure_string": "Co4 N12\n1.0\n5.108212 -0.000000 -1.806026\n-2.554106 4.423841 -1.806026\n0.000000 0.000000 5.418077\nCo N\n4 12\ndirect\n0.500000 0.000000 -0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n-0.000000 0.500000 -0.000001 Co\n0.499999 0.500000 0.499999 Co\n0.509773 0.884162 0.625611 N\n0.258549 0.884162 0.374387 N\n0.741450 0.115838 0.625612 N\n0.115838 0.374388 0.490226 N\n0.490226 0.115838 0.374388 N\n0.115837 0.625612 0.741450 N\n0.374388 0.258550 0.884162 N\n0.884161 0.625612 0.509773 N\n0.625611 0.741450 0.115837 N\n0.884161 0.374388 0.258549 N\n0.625611 0.509774 0.884161 N\n0.374387 0.490226 0.115837 N\n",
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"elements": [
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"volume": 122.43725804231961,
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"formula_full": "Co4 N12",
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"spacegroup": 204
},
{
"id": "jvasp-34443",
"created_at": "2022-09-04T14:38:14.433463Z",
"updated_at": "2022-09-04T14:38:14.433487Z",
"structure_string": "Tb4 Sn2 S10\n1.0\n3.822849 0.000000 0.000000\n0.000000 7.735219 0.000000\n0.000000 -0.000000 11.404849\nTb Sn S\n4 2 10\ndirect\n0.500000 0.971587 0.327239 Tb\n0.500000 0.471587 0.172761 Tb\n0.500000 0.528413 0.827239 Tb\n0.500000 0.028413 0.672761 Tb\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.670513 0.598142 S\n0.000000 0.178309 0.195506 S\n0.500000 0.170513 0.901858 S\n0.000000 0.000000 0.500000 S\n0.500000 0.829487 0.098142 S\n0.000000 0.678310 0.304494 S\n0.000000 0.321691 0.695506 S\n0.000000 0.821691 0.804494 S\n0.500000 0.329487 0.401858 S\n0.000000 0.500000 0.000000 S\n",
"nsites": 16,
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"elements": [
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"S"
],
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"density": 5.877883442883868,
"density_atomic": 0.047442840699521094,
"volume": 337.247933810201,
"volume_molar": 12.693465802651211,
"formula_full": "Tb4 Sn2 S10",
"formula_reduced": "Tb2SnS5",
"formula_anonymous": "AB2C5",
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"spacegroup": 55
},
{
"id": "jvasp-9255",
"created_at": "2022-09-04T14:38:14.572529Z",
"updated_at": "2022-09-04T14:38:14.572556Z",
"structure_string": "Ca4 Cu4 O8\n1.0\n-3.032787 -0.014005 0.014934\n1.477514 8.137891 -0.055392\n-0.039205 -0.764053 -8.541304\nCa Cu O\n4 4 8\ndirect\n0.710415 0.926899 0.335406 Ca\n0.293565 0.093187 0.692788 Ca\n0.846621 0.199435 0.060601 Ca\n0.157351 0.820646 0.967595 Ca\n0.619356 0.744846 0.625713 Cu\n0.025978 0.557379 0.198904 Cu\n0.977968 0.462699 0.829314 Cu\n0.384644 0.275248 0.402508 Cu\n0.838897 0.183750 0.507634 O\n0.552475 0.611719 0.793313 O\n0.451476 0.408361 0.234889 O\n0.165092 0.836350 0.520569 O\n0.739439 0.984918 0.854133 O\n0.596491 0.698495 0.151675 O\n0.264533 0.035159 0.174053 O\n0.407457 0.321582 0.876524 O\n",
"nsites": 16,
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"formula_full": "Ca4 Cu4 O8",
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"spacegroup": 12
},
{
"id": "jvasp-111624",
"created_at": "2022-09-04T14:38:27.737757Z",
"updated_at": "2022-09-04T14:38:27.737784Z",
"structure_string": "Dy12 Pt4\n1.0\n6.451906 -0.000000 0.000000\n-0.000000 6.993821 0.000000\n0.000000 0.000000 9.479591\nDy Pt\n12 4\ndirect\n0.322161 0.682246 0.058697 Dy\n0.177839 0.182246 0.441303 Dy\n0.677840 0.317754 0.558697 Dy\n0.822161 0.817754 0.941303 Dy\n0.677840 0.317754 0.941303 Dy\n0.822161 0.817754 0.558697 Dy\n0.322161 0.682246 0.441303 Dy\n0.177839 0.182246 0.058697 Dy\n0.871299 0.522843 0.250000 Dy\n0.628701 0.022843 0.250000 Dy\n0.128701 0.477157 0.750000 Dy\n0.371299 0.977157 0.750000 Dy\n0.051678 0.888610 0.250000 Pt\n0.448322 0.388610 0.250000 Pt\n0.948322 0.111390 0.750000 Pt\n0.551679 0.611390 0.750000 Pt\n",
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{
"id": "jvasp-57330",
"created_at": "2022-09-04T14:38:14.496447Z",
"updated_at": "2022-09-04T14:38:14.496466Z",
"structure_string": "Ni2 Bi2 As2 O10\n1.0\n5.254777 0.028328 -0.012453\n-0.660706 6.740117 0.013581\n-2.048550 -2.716409 5.956605\nNi Bi As O\n2 2 2 10\ndirect\n0.831612 0.363139 0.739934 Ni\n0.168388 0.636862 0.260068 Ni\n0.413071 0.233042 0.971591 Bi\n0.586929 0.766959 0.028410 Bi\n0.843734 0.812323 0.611803 As\n0.156266 0.187678 0.388198 As\n0.774163 0.499317 0.050383 O\n0.270744 0.355292 0.277437 O\n0.729256 0.644709 0.722564 O\n0.579131 0.777547 0.371370 O\n0.084016 0.916243 0.195520 O\n0.856022 0.235751 0.425193 O\n0.225838 0.500684 0.949618 O\n0.915985 0.083758 0.804481 O\n0.420870 0.222454 0.628631 O\n0.143979 0.764250 0.574808 O\n",
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{
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"created_at": "2022-09-04T14:38:14.507598Z",
"updated_at": "2022-09-04T14:38:14.507626Z",
"structure_string": "Ca8 H4 N4\n1.0\n6.158073 -0.000000 3.555365\n2.052691 5.805887 3.555365\n0.000000 0.000000 7.110731\nCa H N\n8 4 4\ndirect\n0.738532 0.738534 0.738532 Ca\n0.261467 0.261467 0.715599 Ca\n0.261466 0.715600 0.261466 Ca\n0.715599 0.261467 0.261466 Ca\n0.738533 0.284401 0.738533 Ca\n0.284400 0.738534 0.738532 Ca\n0.738532 0.738534 0.284400 Ca\n0.261467 0.261467 0.261466 Ca\n-0.000000 0.500000 -0.000000 H\n0.500000 0.000000 -0.000000 H\n-0.000000 -0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.500000 -0.000000 0.500000 N\n-0.000000 0.500000 0.500000 N\n0.500000 0.500000 -0.000001 N\n0.500000 0.500000 0.499999 N\n",
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{
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"created_at": "2022-09-04T14:38:14.634066Z",
"updated_at": "2022-09-04T14:38:14.634093Z",
"structure_string": "Rb1 Ca2 Nb3 O10\n1.0\n3.956432 -0.000000 0.000000\n-0.000000 3.956432 -0.000000\n-0.000000 0.000000 15.162358\nRb Ca Nb O\n1 2 3 10\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.849829 Ca\n0.500000 0.500000 0.150171 Ca\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.282734 Nb\n0.000000 0.000000 0.717266 Nb\n0.000000 0.000000 0.598143 O\n0.000000 0.000000 0.401858 O\n0.500000 0.000000 0.746338 O\n0.000000 0.500000 0.746338 O\n0.500000 0.000000 0.253662 O\n0.000000 0.500000 0.253662 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.130420 O\n0.000000 0.000000 0.869580 O\n",
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"volume": 237.34175983579416,
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"formula_full": "Rb1 Ca2 Nb3 O10",
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"spacegroup": 123
},
{
"id": "jvasp-9487",
"created_at": "2022-09-04T14:38:27.586209Z",
"updated_at": "2022-09-04T14:38:27.586230Z",
"structure_string": "Ti2 Zn2 Si2 O10\n1.0\n5.429903 -0.032013 0.007963\n-0.698068 5.384952 -0.006256\n-2.128784 -2.390304 6.590331\nTi Zn Si O\n2 2 2 10\ndirect\n0.006505 0.493682 0.506379 Ti\n0.991512 0.508617 0.006400 Ti\n0.822898 0.912522 0.355583 Zn\n0.410447 0.325306 0.855731 Zn\n0.325290 0.137402 0.230899 Si\n0.635331 0.827489 0.730797 Si\n0.272548 0.321893 0.086006 O\n0.135564 0.186960 0.371230 O\n0.684968 0.637967 0.871305 O\n0.820062 0.774928 0.586095 O\n0.324056 0.737585 0.584251 O\n0.696609 0.141287 0.866917 O\n0.639090 0.198920 0.367130 O\n0.235736 0.826055 0.084569 O\n0.069892 0.396490 0.731891 O\n0.894021 0.571918 0.231779 O\n",
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"formula_full": "Ti2 Zn2 Si2 O10",
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"spacegroup": 9
}
]
}