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{
"id": "jvasp-68727",
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"updated_at": "2022-09-04T14:36:05.284067Z",
"structure_string": "Be1 Pb2 Cl1\n1.0\n-2.038721 2.038721 6.384641\n2.038721 -2.038721 6.384641\n2.038721 2.038721 -6.384641\nBe Pb Cl\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Pb\n0.250000 0.750000 0.500000 Pb\n0.750000 0.250000 0.500000 Cl\n",
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{
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{
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"structure_string": "Ti2 Ga1 Tc1\n1.0\n3.825536 -0.000000 2.208674\n1.275179 3.606750 2.208674\n-0.000000 -0.000000 4.417349\nTi Ga Tc\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Ti\n0.250000 0.250000 0.249999 Ti\n0.500001 0.500000 0.499999 Ga\n0.000000 0.000000 0.000000 Tc\n",
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{
"id": "jvasp-36433",
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"updated_at": "2022-09-04T14:37:29.654599Z",
"structure_string": "Ce1 Se2\n1.0\n2.704706 -2.704706 -0.000000\n2.704706 2.704706 0.000000\n-2.704706 0.000000 4.712619\nCe Se\n1 2\ndirect\n0.500001 0.500001 0.000000 Ce\n0.846368 0.846368 0.692734 Se\n0.153633 0.153633 0.307266 Se\n",
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"volume": 68.94971167358135,
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"formula_full": "Ce1 Se2",
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{
"id": "jvasp-110466",
"created_at": "2022-09-04T14:38:38.304505Z",
"updated_at": "2022-09-04T14:38:38.304526Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n3.991473 -0.000000 2.304478\n1.330491 3.763196 2.304478\n0.000000 0.000000 4.608956\nSc Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.749999 0.750001 0.750001 Sc\n0.499999 0.500000 0.500001 Pd\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "jvasp-117855",
"created_at": "2022-09-04T14:38:52.982970Z",
"updated_at": "2022-09-04T14:38:52.982998Z",
"structure_string": "Pb1 Se1 Br1\n1.0\n5.588370 -0.000000 -0.000000\n-2.794185 4.839670 0.000000\n-0.000000 -0.000000 3.131506\nPb Se Br\n1 1 1\ndirect\n0.333334 0.666666 0.000000 Pb\n0.666667 0.333333 0.000000 Se\n0.000000 0.000000 0.000000 Br\n",
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{
"id": "jvasp-49183",
"created_at": "2022-09-04T14:37:04.382625Z",
"updated_at": "2022-09-04T14:37:04.382648Z",
"structure_string": "Cd6 Te2 O12\n1.0\n0.000000 5.574690 0.000425\n5.708141 0.000000 0.000000\n0.000000 -5.553536 -8.155908\nCd Te O\n6 2 12\ndirect\n0.751567 0.455632 0.741304 Cd\n0.248432 0.955632 0.758697 Cd\n0.248433 0.544367 0.258697 Cd\n0.751568 0.044367 0.241304 Cd\n0.500000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.658401 0.424327 0.277489 O\n0.341599 0.924327 0.222512 O\n0.758651 0.824481 0.049879 O\n0.241350 0.324481 0.450121 O\n0.241350 0.175519 0.950121 O\n0.915885 0.280741 0.081615 O\n0.084115 0.719259 0.918386 O\n0.915885 0.219259 0.581615 O\n0.658401 0.075673 0.777489 O\n0.084115 0.780741 0.418386 O\n0.758650 0.675519 0.549880 O\n0.341599 0.575673 0.722512 O\n",
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"spacegroup": 14
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{
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"structure_string": "Mo1 W2 Se2 S4\n1.0\n3.235852 0.000001 0.000000\n-1.617925 2.799706 0.120304\n0.000003 1.061023 19.196226\nMo W Se S\n1 2 2 4\ndirect\n0.444721 0.889440 0.013255 Mo\n0.223297 0.446596 0.676824 W\n0.665289 0.330579 0.350884 W\n0.808037 0.616073 -0.075897 Se\n0.748057 0.496112 0.102424 Se\n0.304524 0.609044 0.432447 S\n0.584069 0.168140 0.595249 S\n0.529212 0.058424 0.758367 S\n0.359396 0.718791 0.269288 S\n",
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],
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"density": 7.176459375031349,
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"volume": 173.49393720092522,
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"formula_full": "Mo1 W2 Se2 S4",
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{
"id": "jvasp-74866",
"created_at": "2022-09-04T14:36:08.275479Z",
"updated_at": "2022-09-04T14:36:08.275492Z",
"structure_string": "Be2 Sn1 Pb1\n1.0\n-1.911029 1.911029 5.447995\n1.911029 -1.911029 5.447995\n1.911029 1.911029 -5.447995\nBe Sn Pb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Sn\n0.500000 0.500000 0.000000 Pb\n",
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},
{
"id": "jvasp-105905",
"created_at": "2022-09-04T14:36:05.967497Z",
"updated_at": "2022-09-04T14:36:05.967515Z",
"structure_string": "Ba2 Yb1 Mo1 O6\n1.0\n5.142052 0.000000 2.968765\n1.714017 4.847974 2.968765\n-0.000000 0.000000 5.937530\nYb Ba Mo O\n1 2 1 6\ndirect\n0.500000 0.500000 0.500001 Yb\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Mo\n0.769577 0.230423 0.230424 O\n0.230424 0.769576 0.769578 O\n0.230424 0.769576 0.230424 O\n0.769577 0.230423 0.769578 O\n0.230423 0.230423 0.769577 O\n0.769577 0.769576 0.230424 O\n",
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"formula_full": "Ba2 Yb1 Mo1 O6",
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{
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"created_at": "2022-09-04T14:37:14.852572Z",
"updated_at": "2022-09-04T14:37:14.852595Z",
"structure_string": "Ba2 Ho1 Ru1 O6\n1.0\n5.134221 0.000000 2.964244\n1.711407 4.840590 2.964244\n-0.000000 -0.000000 5.928487\nBa Ho Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.499999 Ho\n0.000000 0.000000 0.000000 Ru\n0.235203 0.764798 0.764797 O\n0.235203 0.764798 0.235202 O\n0.764798 0.235202 0.764797 O\n0.235202 0.235202 0.764798 O\n0.764798 0.235202 0.235202 O\n0.764798 0.764798 0.235201 O\n",
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{
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"created_at": "2022-09-04T14:38:26.827351Z",
"updated_at": "2022-09-04T14:38:26.827385Z",
"structure_string": "Tb6 Mg2\n1.0\n6.975454 -0.000000 0.000000\n-3.487727 6.040920 0.000000\n-0.000000 -0.000000 5.504032\nTb Mg\n6 2\ndirect\n0.170134 0.340269 0.250000 Tb\n0.659730 0.829866 0.250000 Tb\n0.170134 0.829866 0.250000 Tb\n0.829865 0.170134 0.750000 Tb\n0.340269 0.170134 0.750000 Tb\n0.829865 0.659731 0.750000 Tb\n0.666666 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
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