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{
"id": "jvasp-118374",
"created_at": "2022-09-04T14:38:52.849468Z",
"updated_at": "2022-09-04T14:38:52.849495Z",
"structure_string": "Ca1 Al1 Sb1\n1.0\n5.542473 0.000000 -0.000000\n-2.771237 4.799923 0.000000\n-0.000000 -0.000000 3.298143\nCa Al Sb\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Ca\n0.000000 0.000000 0.000000 Al\n0.666666 0.333333 0.000000 Sb\n",
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{
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{
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"structure_string": "Rb12 B4 S12\n1.0\n0.000000 10.113782 -0.034226\n6.372116 0.000000 0.000000\n0.000000 -3.068053 -12.696385\nRb B S\n12 4 12\ndirect\n0.400100 0.061030 0.299490 Rb\n0.599900 0.561030 0.200510 Rb\n0.599900 0.938971 0.700510 Rb\n0.400100 0.438971 0.799490 Rb\n0.035145 0.221779 0.358920 Rb\n0.964855 0.721779 0.141080 Rb\n0.964855 0.778222 0.641080 Rb\n0.035146 0.278221 0.858919 Rb\n0.260020 0.848744 0.992203 Rb\n0.739980 0.348744 0.507797 Rb\n0.739980 0.151257 0.007797 Rb\n0.260020 0.651257 0.492203 Rb\n0.233537 0.120471 0.627267 B\n0.766463 0.620472 0.872732 B\n0.766463 0.879529 0.372733 B\n0.233537 0.379529 0.127268 B\n0.341236 0.344035 0.033213 S\n0.658764 0.844035 0.466787 S\n0.658764 0.655965 0.966787 S\n0.341236 0.155965 0.533213 S\n0.082688 0.214439 0.118368 S\n0.917312 0.714439 0.381632 S\n0.917312 0.785562 0.881632 S\n0.082688 0.285562 0.618368 S\n0.282824 0.573632 0.234166 S\n0.717176 0.073632 0.265834 S\n0.717177 0.426369 0.765834 S\n0.282824 0.926369 0.734166 S\n",
"nsites": 28,
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"volume": 818.902784664388,
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"formula_full": "Rb12 B4 S12",
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{
"id": "jvasp-28709",
"created_at": "2022-09-04T14:35:42.662781Z",
"updated_at": "2022-09-04T14:35:42.662801Z",
"structure_string": "Te4 Mo4 S4\n1.0\n3.369107 -0.000002 0.000007\n-1.684556 2.917735 -0.000040\n0.000076 -0.000429 35.701786\nTe Mo S\n4 4 4\ndirect\n0.333337 0.666680 0.335140 Te\n0.333361 0.666727 0.709632 Te\n0.333351 0.666698 0.229040 Te\n0.333339 0.666670 0.603665 Te\n0.333314 0.666630 0.094751 Mo\n0.333324 0.666646 0.469383 Mo\n0.666679 0.333355 0.282094 Mo\n0.666685 0.333365 0.656722 Mo\n0.666637 0.333269 0.052444 S\n0.666653 0.333300 0.427055 S\n0.666660 0.333326 0.137118 S\n0.666663 0.333327 0.511705 S\n",
"nsites": 12,
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"elements": [
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"density": 4.8375781183461415,
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"formula_full": "Te4 Mo4 S4",
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{
"id": "jvasp-101520",
"created_at": "2022-09-04T14:37:05.454814Z",
"updated_at": "2022-09-04T14:37:05.454833Z",
"structure_string": "Rb2 Li1 La1 Cl6\n1.0\n6.452386 -0.000000 3.725287\n2.150795 6.083368 3.725287\n-0.000000 -0.000000 7.450573\nRb Li La Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 La\n0.739020 0.260981 0.260980 Cl\n0.260981 0.260981 0.739019 Cl\n0.260981 0.739020 0.739019 Cl\n0.260981 0.739020 0.260980 Cl\n0.739020 0.260981 0.739019 Cl\n0.739020 0.739020 0.260980 Cl\n",
"nsites": 10,
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{
"id": "jvasp-100869",
"created_at": "2022-09-04T14:36:43.658227Z",
"updated_at": "2022-09-04T14:36:43.658246Z",
"structure_string": "Rb2 Tm1 Ag1 Cl6\n1.0\n6.452356 -0.000000 3.725270\n2.150785 6.083340 3.725270\n-0.000000 -0.000000 7.450539\nRb Tm Ag Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500001 0.500000 0.500000 Ag\n0.755176 0.244824 0.244824 Cl\n0.244825 0.244824 0.755176 Cl\n0.244825 0.755176 0.755176 Cl\n0.244825 0.755176 0.244824 Cl\n0.755176 0.244824 0.755176 Cl\n0.755177 0.755176 0.244824 Cl\n",
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{
"id": "jvasp-120205",
"created_at": "2022-09-04T14:38:45.285266Z",
"updated_at": "2022-09-04T14:38:45.285292Z",
"structure_string": "Ge1 Sb1 Te1\n1.0\n3.022379 0.000000 -0.000000\n-0.000000 3.022379 -0.000000\n-0.000000 0.000000 9.604277\nGe Sb Te\n1 1 1\ndirect\n0.000000 0.000000 0.012259 Ge\n0.000000 0.000000 0.308998 Sb\n0.000000 0.000000 0.681381 Te\n",
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],
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"volume": 87.73290770045719,
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"formula_full": "Ge1 Sb1 Te1",
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},
{
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"created_at": "2022-09-04T14:36:20.975538Z",
"updated_at": "2022-09-04T14:36:20.975553Z",
"structure_string": "Ba1 Mg6 Bi1\n1.0\n7.747811 -0.625787 0.000000\n-4.415853 6.396909 0.000000\n0.000000 0.000000 4.999104\nBa Mg Bi\n1 6 1\ndirect\n0.204508 0.295492 0.250000 Ba\n0.158555 0.782370 0.250000 Mg\n0.717630 0.341445 0.250000 Mg\n0.627167 0.872833 0.250000 Mg\n0.306561 0.674484 0.749999 Mg\n0.825516 0.193439 0.749999 Mg\n0.778676 0.721323 0.749999 Mg\n0.381387 0.118613 0.749999 Bi\n",
"nsites": 8,
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],
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{
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"created_at": "2022-09-04T14:38:03.734406Z",
"updated_at": "2022-09-04T14:38:03.734423Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.346251 0.000000 0.000000\n-1.673126 2.897936 -0.000007\n0.000000 -0.000085 36.185891\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.666655 0.333309 0.414793 Te\n0.666667 0.333334 0.520350 Te\n0.666685 0.333370 0.275164 Mo\n0.333318 0.666638 0.099595 W\n0.333327 0.666657 0.467583 W\n0.666668 0.333338 0.660590 W\n0.333347 0.666699 0.321242 Se\n0.333330 0.666662 0.706792 Se\n0.333354 0.666710 0.229098 Se\n0.333345 0.666692 0.614312 Se\n0.666642 0.333284 0.057525 S\n0.666662 0.333325 0.141702 S\n",
"nsites": 12,
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{
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"created_at": "2022-09-04T14:37:17.649220Z",
"updated_at": "2022-09-04T14:37:17.649230Z",
"structure_string": "Rb4 Nb2 Ag2 S8\n1.0\n5.749819 0.000000 1.448691\n2.874909 6.753026 0.724345\n0.020775 0.000000 12.052337\nRb Nb Ag S\n4 2 2 8\ndirect\n0.555557 0.250000 0.888887 Rb\n0.444444 0.750000 0.111113 Rb\n0.194445 0.250000 0.611113 Rb\n0.805556 0.750000 0.388887 Rb\n0.625001 0.750000 0.750000 Nb\n0.375000 0.250000 0.250000 Nb\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.567799 0.545927 0.634820 S\n0.248546 0.954074 0.865180 S\n0.886275 0.545927 0.865180 S\n0.797382 0.954074 0.634820 S\n0.432202 0.454074 0.365180 S\n0.202619 0.045927 0.365180 S\n0.113726 0.454074 0.134820 S\n0.751455 0.045927 0.134820 S\n",
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{
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"created_at": "2022-09-04T14:36:42.542762Z",
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"structure_string": "Ca2 Th2 Br12\n1.0\n4.220677 0.000000 0.000000\n0.000000 9.111813 0.000000\n0.000000 0.000000 12.162426\nCa Th Br\n2 2 12\ndirect\n0.500000 0.750000 0.732994 Ca\n0.500000 0.250000 0.267006 Ca\n0.000000 0.750000 0.256078 Th\n0.000000 0.250000 0.743923 Th\n0.000000 0.750000 0.566780 Br\n0.500000 0.566719 0.363319 Br\n0.500000 0.750000 0.086202 Br\n0.500000 0.250000 0.913798 Br\n0.000000 0.556464 0.848047 Br\n0.000000 0.250000 0.433221 Br\n0.000000 0.443536 0.151953 Br\n0.500000 0.066719 0.636681 Br\n0.000000 0.056464 0.151953 Br\n0.000000 0.943535 0.848047 Br\n0.500000 0.933281 0.363319 Br\n0.500000 0.433281 0.636681 Br\n",
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],
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{
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"created_at": "2022-09-04T14:36:42.110324Z",
"updated_at": "2022-09-04T14:36:42.110350Z",
"structure_string": "Dy5 Mg1\n1.0\n5.370669 0.001387 3.710108\n1.947054 5.005304 3.710108\n0.002027 0.001387 6.527556\nDy Mg\n5 1\ndirect\n0.500000 0.158421 0.841579 Dy\n0.158421 0.841579 0.500001 Dy\n0.841579 0.500000 0.158421 Dy\n0.333279 0.333279 0.333279 Dy\n0.666721 0.666721 0.666722 Dy\n0.000000 0.000000 0.000000 Mg\n",
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}
]
}