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{
"id": "jvasp-34591",
"created_at": "2022-09-04T14:36:40.023153Z",
"updated_at": "2022-09-04T14:36:40.023172Z",
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{
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{
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"created_at": "2022-09-04T14:36:10.632833Z",
"updated_at": "2022-09-04T14:36:10.632854Z",
"structure_string": "K2 Hg7\n1.0\n3.544976 -6.140078 0.000000\n3.544976 6.140078 0.000000\n0.000000 0.000000 6.315499\nK Hg\n2 7\ndirect\n0.333334 0.666668 0.168108 K\n0.666668 0.333334 0.831892 K\n0.183016 0.816985 0.671855 Hg\n0.633969 0.816985 0.671855 Hg\n0.183016 0.366032 0.671855 Hg\n0.816985 0.183016 0.328145 Hg\n0.816985 0.633969 0.328145 Hg\n0.366032 0.183016 0.328145 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 9,
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"elements": [
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{
"id": "jvasp-90637",
"created_at": "2022-09-04T14:35:42.923581Z",
"updated_at": "2022-09-04T14:35:42.923603Z",
"structure_string": "Y1 Mg6 Cu1\n1.0\n6.679825 -0.284874 0.000000\n-3.586621 5.642461 0.000000\n0.000000 0.000000 4.874415\nY Mg Cu\n1 6 1\ndirect\n0.195920 0.304080 0.250000 Y\n0.176335 0.823520 0.250000 Mg\n0.676480 0.323666 0.250000 Mg\n0.655033 0.844967 0.250000 Mg\n0.314115 0.682615 0.749999 Mg\n0.817385 0.185886 0.749999 Mg\n0.810465 0.689536 0.749999 Mg\n0.354265 0.145735 0.749999 Cu\n",
"nsites": 8,
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"density": 2.7711200504568447,
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"formula_full": "Y1 Mg6 Cu1",
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"spacegroup": 38
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{
"id": "jvasp-74934",
"created_at": "2022-09-04T14:35:46.450524Z",
"updated_at": "2022-09-04T14:35:46.450539Z",
"structure_string": "Be1 Tl1 Hg2\n1.0\n-2.249986 2.249986 4.611292\n2.249986 -2.249986 4.611292\n2.249986 2.249986 -4.611292\nBe Tl Hg\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Hg\n0.250000 0.750001 0.500001 Hg\n",
"nsites": 4,
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{
"id": "jvasp-74093",
"created_at": "2022-09-04T14:35:46.154093Z",
"updated_at": "2022-09-04T14:35:46.154118Z",
"structure_string": "Be1 Zn2 Cd1\n1.0\n3.382378 -0.000000 0.000000\n0.000000 3.382378 -0.000000\n-0.000000 -0.000000 5.410219\nBe Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.477329 Be\n0.000000 0.000000 0.028706 Zn\n0.500000 0.500000 0.255595 Zn\n0.500000 0.500000 0.738370 Cd\n",
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{
"id": "jvasp-3099",
"created_at": "2022-09-04T14:35:50.438641Z",
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"structure_string": "Ti1 Tl2 F6\n1.0\n2.976312 -5.155123 0.000000\n2.976312 5.155123 0.000000\n0.000000 0.000000 4.756025\nTi Tl F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.695102 Tl\n0.333333 0.666667 0.304899 Tl\n0.847490 0.152509 0.222877 F\n0.305017 0.152509 0.222877 F\n0.847490 0.694982 0.222877 F\n0.152509 0.847490 0.777124 F\n0.694982 0.847490 0.777124 F\n0.152509 0.305017 0.777124 F\n",
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"density_atomic": 0.06166672687285046,
"volume": 145.94580345665082,
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"formula_full": "Ti1 Tl2 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 164
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{
"id": "jvasp-14107",
"created_at": "2022-09-04T14:35:52.954981Z",
"updated_at": "2022-09-04T14:35:52.955002Z",
"structure_string": "Cu1 Br2\n1.0\n3.370698 -0.000000 0.955429\n1.700430 3.638886 0.424511\n0.064036 -0.212612 6.197609\nCu Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.253476 0.243389 0.249659 Br\n0.746525 0.756613 0.750341 Br\n",
"nsites": 3,
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"formula_anonymous": "AB2",
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"spacegroup": 12
},
{
"id": "jvasp-93183",
"created_at": "2022-09-04T14:35:55.605493Z",
"updated_at": "2022-09-04T14:35:55.605523Z",
"structure_string": "K1 Mg6 Ga1\n1.0\n7.747168 -0.852108 0.000000\n-4.611532 6.283189 0.000000\n0.000000 0.000000 4.749290\nK Mg Ga\n1 6 1\ndirect\n0.213964 0.286036 0.250000 K\n0.170441 0.819324 0.250000 Mg\n0.680676 0.329559 0.250000 Mg\n0.630852 0.869148 0.250000 Mg\n0.303788 0.686438 0.750000 Mg\n0.813562 0.196212 0.750000 Mg\n0.798467 0.701533 0.750000 Mg\n0.388252 0.111748 0.750000 Ga\n",
"nsites": 8,
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{
"id": "jvasp-105615",
"created_at": "2022-09-04T14:35:49.223176Z",
"updated_at": "2022-09-04T14:35:49.223197Z",
"structure_string": "K3 Sm1 Cl6\n1.0\n6.829723 0.000000 3.943142\n2.276574 6.439125 3.943142\n0.000000 0.000000 7.886284\nK Sm Cl\n3 1 6\ndirect\n0.749999 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sm\n0.760442 0.239558 0.239558 Cl\n0.239558 0.239558 0.760442 Cl\n0.239557 0.760442 0.760442 Cl\n0.239557 0.760442 0.239558 Cl\n0.760442 0.239558 0.760442 Cl\n0.760442 0.760442 0.239558 Cl\n",
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},
{
"id": "jvasp-1345",
"created_at": "2022-09-04T14:35:47.816138Z",
"updated_at": "2022-09-04T14:35:47.816162Z",
"structure_string": "Yb1 Te1\n1.0\n3.860649 0.000000 2.228946\n1.286883 3.639854 2.228946\n0.000000 0.000000 4.457893\nYb Te\n1 1\ndirect\n0.500000 0.499999 0.500001 Yb\n0.000000 0.000000 0.000000 Te\n",
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{
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"structure_string": "K1 Rb2 Co1 F6\n1.0\n5.320036 -0.000000 3.071524\n1.773345 5.015778 3.071524\n-0.000000 -0.000000 6.143049\nK Rb Co F\n1 2 1 6\ndirect\n0.500001 0.500000 0.499999 K\n0.750001 0.750000 0.749998 Rb\n0.250000 0.250000 0.249999 Rb\n0.000000 0.000000 0.000000 Co\n0.785528 0.214473 0.214472 F\n0.785528 0.785527 0.214471 F\n0.214473 0.214473 0.785527 F\n0.214474 0.785527 0.785526 F\n0.785528 0.214473 0.785526 F\n0.214474 0.785527 0.214472 F\n",
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