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{
"id": "jvasp-107705",
"created_at": "2022-09-04T14:36:57.602812Z",
"updated_at": "2022-09-04T14:36:57.602837Z",
"structure_string": "Yb2 Tl1 Zn1\n1.0\n4.523137 -0.000000 2.611434\n1.507712 4.264455 2.611434\n-0.000000 -0.000000 5.222869\nYb Tl Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.749999 0.749999 Yb\n0.500000 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Zn\n",
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{
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{
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"structure_string": "K12 Cd2 Te8\n1.0\n5.553539 -9.619012 0.000000\n5.553539 9.619012 -0.000000\n0.000000 0.000000 8.161563\nK Cd Te\n12 2 8\ndirect\n0.042276 0.521138 0.022458 K\n0.849966 0.699934 0.212431 K\n0.150034 0.849966 0.712431 K\n0.849966 0.150034 0.212431 K\n0.300067 0.150034 0.212431 K\n0.150034 0.300067 0.712431 K\n0.699934 0.849966 0.712431 K\n0.478862 0.521138 0.022458 K\n0.478862 0.957724 0.022458 K\n0.521138 0.042276 0.522458 K\n0.521138 0.478862 0.522458 K\n0.957724 0.478862 0.522458 K\n0.333333 0.666667 0.398012 Cd\n0.666667 0.333333 0.898012 Cd\n0.333333 0.666667 0.753421 Te\n0.189761 0.379523 0.292793 Te\n0.379523 0.189761 0.792793 Te\n0.810239 0.189761 0.792793 Te\n0.189761 0.810239 0.292793 Te\n0.620478 0.810239 0.292793 Te\n0.810239 0.620478 0.792793 Te\n0.666667 0.333333 0.253421 Te\n",
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],
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{
"id": "jvasp-102536",
"created_at": "2022-09-04T14:36:59.189512Z",
"updated_at": "2022-09-04T14:36:59.189529Z",
"structure_string": "Nd1 Ho1 Zn2\n1.0\n4.409577 -0.000000 2.545871\n1.469859 4.157389 2.545871\n-0.000000 -0.000000 5.091741\nNd Ho Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Zn\n0.750001 0.750000 0.749999 Zn\n",
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{
"id": "jvasp-58881",
"created_at": "2022-09-04T14:36:57.649284Z",
"updated_at": "2022-09-04T14:36:57.649304Z",
"structure_string": "K4 In4 Br12\n1.0\n4.254016 -7.368170 0.000000\n4.254015 7.368170 -0.000000\n0.000000 -0.000000 10.796943\nK In Br\n4 4 12\ndirect\n0.333334 0.666668 0.130010 K\n0.666668 0.333334 0.869989 K\n0.000000 0.000000 0.739240 K\n0.000000 0.000000 0.260760 K\n0.333334 0.666668 0.759086 In\n0.666668 0.333334 0.240913 In\n0.333334 0.666668 0.503991 In\n0.666668 0.333334 0.496008 In\n0.914502 0.612146 0.624477 Br\n0.612146 0.697645 0.375523 Br\n0.302357 0.914502 0.375523 Br\n0.085499 0.387855 0.375523 Br\n0.906110 0.620648 0.117049 Br\n0.620648 0.714539 0.882951 Br\n0.714539 0.093891 0.117049 Br\n0.093891 0.379353 0.882951 Br\n0.697644 0.085499 0.624477 Br\n0.285462 0.906110 0.882951 Br\n0.379353 0.285462 0.117049 Br\n0.387855 0.302356 0.624477 Br\n",
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"elements": [
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{
"id": "jvasp-102795",
"created_at": "2022-09-04T14:36:57.440818Z",
"updated_at": "2022-09-04T14:36:57.440848Z",
"structure_string": "Ca1 Yb3 In2 Ge4\n1.0\n7.327123 -0.001048 0.000000\n-0.026732 7.327075 0.000000\n0.000000 0.000000 4.379875\nYb Ca In Ge\n3 1 2 4\ndirect\n0.174070 0.825929 -0.000000 Yb\n0.672721 0.673570 -0.000000 Yb\n0.326429 0.327279 -0.000000 Yb\n0.825294 0.174706 -0.000000 Ca\n0.500082 0.999717 0.500001 In\n0.000282 0.499918 0.500001 In\n0.376676 0.623324 0.500001 Ge\n0.620505 0.379494 0.500001 Ge\n0.124892 0.120952 0.500001 Ge\n0.879048 0.875107 0.500001 Ge\n",
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"density_atomic": 0.042527944399181866,
"volume": 235.1395098276223,
"volume_molar": 14.16043226419345,
"formula_full": "Ca1 Yb3 In2 Ge4",
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"spacegroup": 38
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{
"id": "jvasp-107577",
"created_at": "2022-09-04T14:36:57.439936Z",
"updated_at": "2022-09-04T14:36:57.439956Z",
"structure_string": "Ca2 Zn3 Ga1\n1.0\n4.470345 0.029494 3.608858\n2.197837 3.892862 3.608858\n0.011373 0.006690 7.277022\nCa Zn Ga\n2 3 1\ndirect\n0.458469 0.458468 0.792300 Ca\n0.542266 0.542264 0.205910 Ca\n0.163466 0.163465 0.383867 Zn\n0.164853 0.164853 0.786714 Zn\n0.835194 0.835191 0.220883 Zn\n0.835756 0.835754 0.610326 Ga\n",
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},
{
"id": "jvasp-105182",
"created_at": "2022-09-04T14:36:57.438323Z",
"updated_at": "2022-09-04T14:36:57.438344Z",
"structure_string": "K3 Ga1\n1.0\n5.105092 -0.033583 -4.417577\n-1.088140 4.987890 -4.417577\n0.027229 0.033583 6.751016\nK Ga\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Ga\n",
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{
"id": "jvasp-107488",
"created_at": "2022-09-04T14:36:58.606519Z",
"updated_at": "2022-09-04T14:36:58.606547Z",
"structure_string": "Tb3 Mg3 Ag3\n1.0\n7.613634 -0.000000 0.000000\n-3.806817 6.593601 0.000000\n-0.000000 -0.000000 4.173122\nTb Mg Ag\n3 3 3\ndirect\n0.585916 0.000000 -0.000000 Tb\n-0.000000 0.585916 -0.000000 Tb\n0.414083 0.414084 -0.000000 Tb\n0.245058 0.000000 0.500000 Mg\n-0.000000 0.245058 0.500000 Mg\n0.754941 0.754942 0.500000 Mg\n0.333333 0.666667 0.500000 Ag\n0.666666 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
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{
"id": "jvasp-16011",
"created_at": "2022-09-04T14:36:57.378843Z",
"updated_at": "2022-09-04T14:36:57.378860Z",
"structure_string": "Ba2 Hg1\n1.0\n4.065478 -0.000000 -1.083443\n-0.288735 4.055211 -1.083443\n-0.032541 -0.034941 8.047201\nBa Hg\n2 1\ndirect\n0.369504 0.369504 0.739007 Ba\n0.630496 0.630496 0.260994 Ba\n0.000000 0.000000 0.000000 Hg\n",
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},
{
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"created_at": "2022-09-04T14:36:59.626768Z",
"updated_at": "2022-09-04T14:36:59.626790Z",
"structure_string": "In2 F6\n1.0\n4.732960 0.101793 3.316732\n1.780010 4.386666 3.316732\n0.147707 0.101793 5.777526\nIn F\n2 6\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.403168 0.750000 0.096831 F\n0.750001 0.096831 0.403168 F\n0.903168 0.596832 0.249999 F\n0.250000 0.903168 0.596832 F\n0.596833 0.249999 0.903168 F\n0.096833 0.403168 0.750000 F\n",
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},
{
"id": "jvasp-107491",
"created_at": "2022-09-04T14:36:59.568106Z",
"updated_at": "2022-09-04T14:36:59.568136Z",
"structure_string": "Rb3 Fe1 F6\n1.0\n5.500984 0.142840 -3.405082\n-1.636310 5.253924 -3.405082\n-0.102289 -0.142840 6.468767\nRb Fe F\n3 1 6\ndirect\n0.749999 0.250000 0.500000 Rb\n0.250000 0.749999 0.500000 Rb\n0.499999 0.500000 -0.000000 Rb\n0.000000 0.000000 0.000000 Fe\n-0.000000 0.297683 0.297683 F\n-0.000000 0.702316 0.702317 F\n0.297683 0.000000 0.297683 F\n0.702316 0.000000 0.702317 F\n0.206129 0.206130 -0.000000 F\n0.793870 0.793870 -0.000000 F\n",
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