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{
"id": "jvasp-28864",
"created_at": "2022-09-04T14:37:41.148625Z",
"updated_at": "2022-09-04T14:37:41.148645Z",
"structure_string": "Mo1 W3 Se6 S2\n1.0\n3.291672 -0.000000 -0.000004\n-1.645836 2.850669 -0.000011\n-0.000052 0.000019 34.584125\nMo W Se S\n1 3 6 2\ndirect\n0.666666 0.333334 0.284763 Mo\n0.333306 0.666617 0.092944 W\n0.333333 0.666667 0.469906 W\n0.666692 0.333380 0.655303 W\n0.333338 0.666677 0.333500 Se\n0.333358 0.666708 0.704283 Se\n0.666629 0.333265 0.043964 Se\n0.666652 0.333306 0.141989 Se\n0.333328 0.666662 0.236017 Se\n0.333362 0.666721 0.606275 Se\n0.666671 0.333347 0.425301 S\n0.666663 0.333321 0.514508 S\n",
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{
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"structure_string": "Na8 Sn2 Se8\n1.0\n8.168749 0.000000 0.000000\n0.000000 8.168749 0.000000\n0.000000 -0.000000 7.295263\nNa Sn Se\n8 2 8\ndirect\n0.196292 0.407355 0.029403 Na\n0.592645 0.196292 0.970597 Na\n0.407355 0.803708 0.970597 Na\n0.803708 0.592645 0.029403 Na\n0.696292 0.092645 0.470597 Na\n0.303708 0.907355 0.470597 Na\n0.907355 0.696292 0.529403 Na\n0.092645 0.303708 0.529403 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.254919 0.597451 0.692791 Se\n0.745082 0.402549 0.692791 Se\n0.097451 0.754919 0.192791 Se\n0.245081 0.097451 0.807208 Se\n0.754919 0.902549 0.807208 Se\n0.902549 0.245081 0.192791 Se\n0.597451 0.745082 0.307208 Se\n0.402549 0.254919 0.307208 Se\n",
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"volume": 486.8016669264215,
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"formula_full": "Na8 Sn2 Se8",
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{
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"created_at": "2022-09-04T14:36:03.043389Z",
"updated_at": "2022-09-04T14:36:03.043413Z",
"structure_string": "Na2 Tl1 Sb1\n1.0\n0.000000 3.781886 3.781886\n3.781886 0.000000 3.781886\n3.781886 3.781886 0.000000\nNa Tl Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500002 0.500002 0.500002 Na\n0.750001 0.750001 0.750001 Tl\n0.250000 0.250000 0.250000 Sb\n",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-17810",
"created_at": "2022-09-04T14:37:31.496142Z",
"updated_at": "2022-09-04T14:37:31.496152Z",
"structure_string": "Ce3 Sn1\n1.0\n4.764938 -0.000000 -0.000000\n-0.000000 4.764938 -0.000000\n0.000000 0.000000 4.764938\nCe Sn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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"density": 8.273948832835572,
"density_atomic": 0.03697330122516881,
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{
"id": "jvasp-59076",
"created_at": "2022-09-04T14:37:01.415545Z",
"updated_at": "2022-09-04T14:37:01.415576Z",
"structure_string": "Dy8 Br16\n1.0\n6.635516 0.000000 0.000000\n-0.000000 7.608340 0.000000\n0.000000 0.000000 12.858474\nDy Br\n8 16\ndirect\n0.675066 0.048662 0.096308 Dy\n0.175066 0.951338 0.403692 Dy\n0.824935 0.548661 0.903692 Dy\n0.324934 0.451338 0.596307 Dy\n0.324934 0.951338 0.903692 Dy\n0.824935 0.048662 0.596307 Dy\n0.175066 0.451338 0.096308 Dy\n0.675066 0.548661 0.403692 Dy\n0.702975 0.380899 0.704889 Br\n0.202975 0.619101 0.795110 Br\n0.202975 0.119101 0.704889 Br\n0.702975 0.880899 0.795110 Br\n0.297025 0.619101 0.295111 Br\n0.797026 0.380899 0.204889 Br\n0.019497 0.296233 0.453598 Br\n0.980503 0.703767 0.546402 Br\n0.480503 0.796233 0.546402 Br\n0.980503 0.203767 0.953597 Br\n0.297025 0.119101 0.204889 Br\n0.480503 0.296233 0.953597 Br\n0.519498 0.203767 0.453598 Br\n0.019497 0.796233 0.046402 Br\n0.519498 0.703767 0.046402 Br\n0.797026 0.880899 0.295111 Br\n",
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{
"id": "jvasp-5749",
"created_at": "2022-09-04T14:38:10.458774Z",
"updated_at": "2022-09-04T14:38:10.458794Z",
"structure_string": "Dy8 Br16\n1.0\n6.635577 0.000000 0.000000\n0.000000 7.608541 0.000000\n0.000000 0.000000 12.858046\nDy Br\n8 16\ndirect\n0.675083 0.048668 0.096296 Dy\n0.175083 0.951332 0.403704 Dy\n0.824918 0.548668 0.903704 Dy\n0.324917 0.451332 0.596297 Dy\n0.324917 0.951332 0.903704 Dy\n0.824918 0.048668 0.596297 Dy\n0.175083 0.451332 0.096296 Dy\n0.675083 0.548668 0.403704 Dy\n0.702930 0.380852 0.704888 Br\n0.202930 0.619148 0.795112 Br\n0.202930 0.119148 0.704888 Br\n0.702930 0.880852 0.795112 Br\n0.297070 0.619148 0.295112 Br\n0.797070 0.380852 0.204888 Br\n0.019538 0.296248 0.453570 Br\n0.980462 0.703752 0.546430 Br\n0.480462 0.796247 0.546430 Br\n0.980462 0.203752 0.953570 Br\n0.297070 0.119148 0.204888 Br\n0.480462 0.296248 0.953570 Br\n0.519538 0.203752 0.453570 Br\n0.019538 0.796247 0.046430 Br\n0.519538 0.703752 0.046430 Br\n0.797070 0.880852 0.295112 Br\n",
"nsites": 24,
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"volume": 649.1649355536172,
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"formula_full": "Dy8 Br16",
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"formula_anonymous": "AB2",
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"spacegroup": 61
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{
"id": "jvasp-40522",
"created_at": "2022-09-04T14:37:44.240916Z",
"updated_at": "2022-09-04T14:37:44.240941Z",
"structure_string": "Ca2 Bi1 Au1\n1.0\n-0.000000 3.782041 3.782041\n3.782041 0.000000 3.782041\n3.782041 3.782041 -0.000000\nCa Bi Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.749999 0.749999 0.749999 Bi\n0.249999 0.249999 0.249999 Au\n",
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"formula_full": "Ca2 Bi1 Au1",
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{
"id": "jvasp-57109",
"created_at": "2022-09-04T14:38:31.468371Z",
"updated_at": "2022-09-04T14:38:31.468407Z",
"structure_string": "K4 Ge4 Pb2 S12\n1.0\n8.546502 -0.006100 -0.046185\n-3.515192 7.790132 -0.046185\n-0.000408 -0.000631 8.941315\nK Ge Pb S\n4 4 2 12\ndirect\n0.457949 0.735721 0.517154 K\n0.542051 0.264279 0.482847 K\n0.264278 0.542051 0.982847 K\n0.735721 0.457949 0.017154 K\n0.342605 0.025495 0.061866 Ge\n0.657395 0.974505 0.938134 Ge\n0.974505 0.657395 0.438134 Ge\n0.025494 0.342605 0.561866 Ge\n0.981005 0.018995 0.250000 Pb\n0.018995 0.981005 0.750000 Pb\n0.918156 0.523187 0.667629 S\n0.523187 0.918156 0.167629 S\n0.083821 0.816986 0.039030 S\n0.916178 0.183014 0.960971 S\n0.816985 0.083821 0.539029 S\n0.258536 0.347505 0.668232 S\n0.081844 0.476813 0.332372 S\n0.652495 0.741464 0.831768 S\n0.476813 0.081844 0.832371 S\n0.183014 0.916179 0.460971 S\n0.741464 0.652495 0.331768 S\n0.347505 0.258536 0.168233 S\n",
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{
"id": "jvasp-37084",
"created_at": "2022-09-04T14:38:03.297681Z",
"updated_at": "2022-09-04T14:38:03.297711Z",
"structure_string": "Sr2 Pd2\n1.0\n-4.213818 0.000000 -0.000000\n0.000000 0.000000 -4.540151\n-2.106910 -5.655763 0.000000\nSr Pd\n2 2\ndirect\n0.138942 0.750000 0.722117 Sr\n0.861059 0.250000 0.277882 Sr\n0.425057 0.750000 0.149888 Pd\n0.574944 0.250000 0.850112 Pd\n",
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{
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"created_at": "2022-09-04T14:36:48.499273Z",
"updated_at": "2022-09-04T14:36:48.499296Z",
"structure_string": "Nd2 Fe1 Sb4\n1.0\n4.423969 -0.000000 0.000000\n0.000000 4.423969 0.000000\n0.000000 -0.000000 9.675159\nNd Fe Sb\n2 1 4\ndirect\n-0.000000 0.500000 0.236905 Nd\n0.500000 0.000000 0.763095 Nd\n0.500000 0.500000 -0.000000 Fe\n-0.000000 0.500000 0.874120 Sb\n0.500000 0.000000 0.125880 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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{
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{
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}