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{
"id": "jvasp-114540",
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{
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"structure_string": "Te4 W4 Se2 S2\n1.0\n3.404611 -0.000002 0.000009\n-1.702307 2.948651 -0.000047\n0.000099 -0.000519 35.358378\nTe W Se S\n4 4 2 2\ndirect\n0.333278 0.666582 0.336192 Te\n0.333438 0.666865 0.714144 Te\n0.333349 0.666673 0.229572 Te\n0.333252 0.666512 0.607579 Te\n0.333319 0.666643 0.087151 W\n0.333360 0.666728 0.471982 W\n0.666687 0.333372 0.282861 W\n0.666723 0.333451 0.660921 W\n0.666587 0.333146 0.040415 Se\n0.666680 0.333380 0.133972 Se\n0.666678 0.333374 0.429371 S\n0.666645 0.333274 0.514590 S\n",
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"structure_string": "Sm2 Lu6\n1.0\n3.520945 -6.098456 0.000000\n3.520945 6.098456 0.000000\n-0.000000 0.000000 5.510500\nSm Lu\n2 6\ndirect\n0.333334 0.666668 0.750000 Sm\n0.666668 0.333334 0.250000 Sm\n0.165144 0.330288 0.250000 Lu\n0.669714 0.834857 0.250000 Lu\n0.165144 0.834857 0.250000 Lu\n0.834857 0.669714 0.750000 Lu\n0.330288 0.165144 0.750000 Lu\n0.834857 0.165144 0.750000 Lu\n",
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{
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"created_at": "2022-09-04T14:36:48.414097Z",
"updated_at": "2022-09-04T14:36:48.414121Z",
"structure_string": "Er2 Tm6\n1.0\n7.057027 0.000000 0.000000\n-3.528514 6.111564 0.000000\n-0.000000 -0.000000 5.486970\nEr Tm\n2 6\ndirect\n0.333334 0.666666 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.166556 0.333112 0.250000 Tm\n0.666888 0.833443 0.250000 Tm\n0.166556 0.833443 0.250000 Tm\n0.833444 0.666887 0.750000 Tm\n0.333112 0.166556 0.750000 Tm\n0.833444 0.166556 0.750000 Tm\n",
"nsites": 8,
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"volume": 236.65011985900628,
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{
"id": "jvasp-120312",
"created_at": "2022-09-04T14:38:47.490773Z",
"updated_at": "2022-09-04T14:38:47.490796Z",
"structure_string": "Li2 Sb1\n1.0\n4.594683 0.000000 0.000000\n0.000000 3.327031 0.000000\n0.000000 0.000000 5.805688\nLi Sb\n2 1\ndirect\n-0.033338 0.000000 0.768054 Li\n-0.033338 0.000000 0.231947 Li\n0.466675 0.000000 0.000000 Sb\n",
"nsites": 3,
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"density": 2.537915675330116,
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{
"id": "jvasp-104534",
"created_at": "2022-09-04T14:36:45.762281Z",
"updated_at": "2022-09-04T14:36:45.762302Z",
"structure_string": "Rb2 Na1 Dy1 Cl6\n1.0\n6.477300 -0.000000 3.739671\n2.159100 6.106857 3.739671\n-0.000000 -0.000000 7.479341\nRb Na Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Dy\n0.752845 0.247155 0.247155 Cl\n0.247155 0.247155 0.752845 Cl\n0.247155 0.752846 0.752845 Cl\n0.247155 0.752846 0.247155 Cl\n0.752845 0.247155 0.752845 Cl\n0.752845 0.752846 0.247155 Cl\n",
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{
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"structure_string": "Al1 Bi3\n1.0\n4.909629 -0.000000 0.000000\n0.000000 4.909629 0.000000\n0.000000 0.000000 4.909629\nAl Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n",
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{
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"created_at": "2022-09-04T14:38:13.173753Z",
"updated_at": "2022-09-04T14:38:13.173770Z",
"structure_string": "Ag2 Pb4 Br10\n1.0\n6.555162 0.000000 -2.768974\n-0.319687 7.992132 -0.756812\n-0.038190 0.004227 9.053295\nAg Pb Br\n2 4 10\ndirect\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 0.500000 Ag\n0.870867 0.064270 0.207175 Pb\n0.129132 0.935730 0.792825 Pb\n0.336307 0.564270 0.207175 Pb\n0.663692 0.435730 0.792825 Pb\n0.135808 0.819162 0.443137 Br\n0.925602 0.750000 0.000000 Br\n0.864191 0.180838 0.556863 Br\n0.293489 0.576990 0.825981 Br\n0.532492 0.076990 0.825981 Br\n0.706510 0.423011 0.174019 Br\n0.467507 0.923011 0.174019 Br\n0.692671 0.680838 0.556863 Br\n0.307328 0.319162 0.443137 Br\n0.074397 0.250000 0.000000 Br\n",
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"elements": [
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"volume": 473.47915709220064,
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"formula_full": "Ag2 Pb4 Br10",
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{
"id": "jvasp-8174",
"created_at": "2022-09-04T14:37:03.066439Z",
"updated_at": "2022-09-04T14:37:03.066463Z",
"structure_string": "Sb2 Te1 Se2\n1.0\n4.053779 -0.017277 9.268967\n1.924353 3.567953 9.268967\n-0.029089 -0.017277 10.116622\nSb Te Se\n2 1 2\ndirect\n0.391894 0.391893 0.391895 Sb\n0.599603 0.599601 0.599604 Sb\n0.205782 0.205781 0.205782 Te\n0.996674 0.996671 0.996676 Se\n0.776947 0.776945 0.776949 Se\n",
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{
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"created_at": "2022-09-04T14:38:34.826249Z",
"updated_at": "2022-09-04T14:38:34.826266Z",
"structure_string": "Mg4 Te8\n1.0\n7.081548 -0.000000 -0.000000\n0.000000 7.081548 -0.000000\n-0.000000 -0.000000 7.081548\nMg Te\n4 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.385802 0.385802 0.385802 Te\n0.114198 0.614198 0.885802 Te\n0.885802 0.114198 0.614198 Te\n0.614198 0.885802 0.114198 Te\n0.614198 0.614198 0.614198 Te\n0.885802 0.385802 0.114198 Te\n0.114198 0.885802 0.385802 Te\n0.385802 0.114198 0.885802 Te\n",
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{
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"created_at": "2022-09-04T14:36:10.553271Z",
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"structure_string": "Ba1 Na1 Mg6\n1.0\n7.491117 -0.457306 0.000000\n-4.141597 6.258844 0.000000\n0.000000 0.000000 5.262230\nBa Na Mg\n1 1 6\ndirect\n0.300476 0.199524 0.750000 Ba\n0.132040 0.367960 0.250000 Na\n0.180909 0.827884 0.250000 Mg\n0.672115 0.319089 0.250000 Mg\n0.710101 0.789897 0.250000 Mg\n0.337254 0.710217 0.750000 Mg\n0.789782 0.162744 0.750000 Mg\n0.877322 0.622677 0.750000 Mg\n",
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{
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"created_at": "2022-09-04T14:38:11.986190Z",
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"structure_string": "Te2 W2 Cl18\n1.0\n6.286796 -0.023820 1.789408\n-0.530034 9.048592 2.702767\n0.021768 0.095490 11.484408\nTe W Cl\n2 2 18\ndirect\n0.129508 0.663999 0.164493 Te\n0.870493 0.336001 0.835508 Te\n0.568893 0.261825 0.291246 W\n0.431108 0.738174 0.708754 W\n0.284899 0.954518 0.720979 Cl\n0.089889 0.606500 0.828244 Cl\n0.312073 0.877165 0.162952 Cl\n0.499413 0.694818 0.909445 Cl\n0.715103 0.045482 0.279021 Cl\n0.108914 0.199068 0.937080 Cl\n0.687928 0.122835 0.837049 Cl\n0.891087 0.800932 0.062920 Cl\n0.500589 0.305182 0.090555 Cl\n0.348560 0.752629 0.525245 Cl\n0.907799 0.634618 0.369142 Cl\n0.092203 0.365382 0.630858 Cl\n0.234582 0.150394 0.391644 Cl\n0.651442 0.247371 0.474755 Cl\n0.569214 0.499136 0.703771 Cl\n0.910112 0.393500 0.171756 Cl\n0.430788 0.500863 0.296229 Cl\n0.765420 0.849606 0.608357 Cl\n",
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}