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"id": "jvasp-16806",
"created_at": "2022-09-04T14:38:33.369869Z",
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"structure_string": "Bi2 Se2\n1.0\n2.879815 2.915890 -0.460056\n2.879815 -2.915890 -0.460056\n1.677716 0.000000 -7.601285\nBi Se\n2 2\ndirect\n0.390704 0.390704 0.219645 Bi\n0.609295 0.609295 0.780357 Bi\n0.852440 0.852440 0.291358 Se\n0.147559 0.147559 0.708643 Se\n",
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{
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"created_at": "2022-09-04T14:36:40.642886Z",
"updated_at": "2022-09-04T14:36:40.642909Z",
"structure_string": "Bi4 Te3 S3\n1.0\n4.177336 -0.022054 19.500154\n2.046494 3.641770 19.500154\n-0.037920 -0.022054 19.942535\nBi Te S\n4 3 3\ndirect\n0.800927 0.800929 0.800927 Bi\n0.307248 0.307249 0.307248 Bi\n0.700538 0.700540 0.700538 Bi\n0.194000 0.194000 0.194000 Bi\n0.891614 0.891617 0.891614 Te\n0.103679 0.103679 0.103679 Te\n0.609751 0.609753 0.609751 Te\n0.004088 0.004088 0.004088 S\n0.498000 0.498002 0.498001 S\n0.390151 0.390152 0.390151 S\n",
"nsites": 10,
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"elements": [
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"chemical_system": "Bi-S-Te",
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"volume": 307.90938500229396,
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"formula_full": "Bi4 Te3 S3",
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"formula_anonymous": "A3B3C4",
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"spacegroup": 160
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{
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"created_at": "2022-09-04T14:37:42.419676Z",
"updated_at": "2022-09-04T14:37:42.419695Z",
"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.318470 -0.000001 -0.000001\n-1.659236 2.873941 0.000062\n-0.000009 0.000844 38.744217\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333324 0.666650 0.331988 Te\n0.333337 0.666677 0.233012 Te\n0.333317 0.666635 0.092904 Mo\n0.333291 0.666582 0.469975 Mo\n0.666671 0.333342 0.282454 Mo\n0.666703 0.333410 0.657505 W\n0.666694 0.333389 0.049888 Se\n0.666681 0.333365 0.136183 Se\n0.333316 0.666634 0.696957 S\n0.666669 0.333338 0.430571 S\n0.666661 0.333322 0.509473 S\n0.333324 0.666648 0.617838 S\n",
"nsites": 12,
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{
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"created_at": "2022-09-04T14:37:14.534629Z",
"updated_at": "2022-09-04T14:37:14.534650Z",
"structure_string": "Sr2 Ag1 Pb1\n1.0\n-12.803598 3.333141 -1.949165\n-9.187462 0.771528 1.526461\n-7.579269 5.320186 -1.259011\nSr Ag Pb\n2 1 1\ndirect\n0.756638 0.995965 0.995966 Sr\n0.243360 0.004036 0.004036 Sr\n0.000000 0.000000 0.000000 Ag\n0.499999 0.000001 0.000000 Pb\n",
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"formula_full": "Sr2 Ag1 Pb1",
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{
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"created_at": "2022-09-04T14:36:35.351252Z",
"updated_at": "2022-09-04T14:36:35.351268Z",
"structure_string": "Sm4 Bi2\n1.0\n4.417521 -0.004806 -8.375228\n-0.274980 4.408957 -8.375228\n0.004520 0.004806 9.468839\nSm Bi\n4 2\ndirect\n0.322021 0.322021 -0.000000 Sm\n0.677979 0.677979 -0.000001 Sm\n0.500000 0.000000 0.500000 Sm\n-0.000000 0.500001 0.500001 Sm\n0.140099 0.140099 -0.000000 Bi\n0.859901 0.859901 -0.000001 Bi\n",
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{
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"created_at": "2022-09-04T14:36:51.922826Z",
"updated_at": "2022-09-04T14:36:51.922846Z",
"structure_string": "Sr1 Ca1 Pb6\n1.0\n4.981313 -0.000000 0.000000\n0.000000 4.981313 0.000000\n-0.000000 -0.000000 9.928344\nSr Ca Pb\n1 1 6\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.244090 Pb\n0.500000 0.000000 0.755909 Pb\n-0.000000 0.500000 0.244090 Pb\n-0.000000 0.500000 0.755909 Pb\n0.500000 0.500000 -0.000000 Pb\n0.500000 0.500000 0.500000 Pb\n",
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"volume": 246.3567573738504,
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"formula_full": "Sr1 Ca1 Pb6",
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{
"id": "jvasp-78758",
"created_at": "2022-09-04T14:36:34.480367Z",
"updated_at": "2022-09-04T14:36:34.480394Z",
"structure_string": "Na1 Tm1\n1.0\n3.390126 0.000035 0.000004\n-1.695033 2.935951 -0.000004\n0.000007 -0.000004 6.187840\nNa Tm\n1 1\ndirect\n0.666673 0.333331 0.750000 Na\n0.333333 0.666671 0.250001 Tm\n",
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{
"id": "jvasp-99667",
"created_at": "2022-09-04T14:36:33.972953Z",
"updated_at": "2022-09-04T14:36:33.972980Z",
"structure_string": "Er2 Cl6\n1.0\n8.948118 0.000000 0.000000\n-4.474059 7.749297 0.000000\n-0.000000 -0.000000 3.552858\nEr Cl\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.207636 0.415273 0.250000 Cl\n0.584728 0.792364 0.250000 Cl\n0.207636 0.792364 0.250000 Cl\n0.792364 0.584728 0.750000 Cl\n0.415273 0.207636 0.750000 Cl\n0.792364 0.207636 0.750000 Cl\n",
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{
"id": "jvasp-81120",
"created_at": "2022-09-04T14:37:18.417850Z",
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"structure_string": "Ca1 Tl1 Hg2\n1.0\n-10.722550 -0.000000 -6.190667\n-6.893814 -1.209633 -0.440899\n-5.301894 3.292994 -3.198184\nCa Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 -0.000000 Tl\n0.746880 -0.000001 -0.000000 Hg\n0.253121 -0.000000 -0.000000 Hg\n",
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{
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