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{
"id": "jvasp-80023",
"created_at": "2022-09-04T14:37:16.693565Z",
"updated_at": "2022-09-04T14:37:16.693586Z",
"structure_string": "Yb1 Mg1 Tl2\n1.0\n-0.000000 3.699686 3.699686\n3.699686 -0.000000 3.699686\n3.699686 3.699686 -0.000000\nYb Mg Tl\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500001 0.500001 Tl\n",
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{
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"created_at": "2022-09-04T14:37:08.347463Z",
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"structure_string": "Eu2 Sn2 Hg2\n1.0\n5.009537 0.000000 0.000000\n-2.504769 4.338279 0.000000\n0.000000 0.000000 7.133651\nEu Sn Hg\n2 2 2\ndirect\n-0.000004 -0.000008 0.745818 Eu\n0.000004 0.000008 0.245818 Eu\n0.666668 0.333337 0.986430 Sn\n0.333332 0.666663 0.486430 Sn\n0.666668 0.333336 0.537752 Hg\n0.333332 0.666664 0.037752 Hg\n",
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{
"id": "jvasp-81569",
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"structure_string": "Li1 Tl1 Hg2\n1.0\n-11.663997 -2.715168 -4.517285\n-7.750370 -1.081281 0.206717\n-6.106710 1.467601 -0.925469\nLi Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500001 -0.000001 -0.000000 Tl\n0.797975 0.904525 0.095475 Hg\n0.202025 0.095475 0.904524 Hg\n",
"nsites": 4,
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"elements": [
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"volume": 95.97879540983604,
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{
"id": "jvasp-42014",
"created_at": "2022-09-04T14:37:31.934844Z",
"updated_at": "2022-09-04T14:37:31.934864Z",
"structure_string": "Sr2 Tl1 Cd1\n1.0\n0.000000 4.033015 4.033015\n4.033015 0.000000 4.033015\n4.033015 4.033015 -0.000000\nSr Tl Cd\n2 1 1\ndirect\n0.500001 0.500001 0.500001 Sr\n0.000000 0.000000 0.000000 Sr\n0.750001 0.750001 0.750001 Tl\n0.250001 0.250001 0.250001 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.2276610686687,
"density_atomic": 0.030488810697998473,
"volume": 131.19567173745455,
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"formula_full": "Sr2 Tl1 Cd1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40430",
"created_at": "2022-09-04T14:37:27.666864Z",
"updated_at": "2022-09-04T14:37:27.666878Z",
"structure_string": "K4 Sr2 Cd2 Sb4\n1.0\n4.955223 0.000000 0.000000\n0.000000 8.232352 0.000000\n0.000000 0.000000 9.894315\nK Sr Cd Sb\n4 2 2 4\ndirect\n0.500000 0.971595 0.423893 K\n0.000000 0.656951 0.336213 K\n0.500000 0.471596 0.576107 K\n0.000000 0.156951 0.663787 K\n0.000000 0.506786 0.953451 Sr\n0.000000 0.006787 0.046550 Sr\n0.500000 0.849840 0.822002 Cd\n0.500000 0.349840 0.177999 Cd\n0.000000 0.747701 0.680803 Sb\n0.500000 0.721605 0.110346 Sb\n0.000000 0.247701 0.319198 Sb\n0.500000 0.221605 0.889654 Sb\n",
"nsites": 12,
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"elements": [
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],
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"density": 4.293057298017025,
"density_atomic": 0.029730922018621465,
"volume": 403.6201767467555,
"volume_molar": 20.255479316208667,
"formula_full": "K4 Sr2 Cd2 Sb4",
"formula_reduced": "K2SrCdSb2",
"formula_anonymous": "ABC2D2",
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"spacegroup": 26
},
{
"id": "jvasp-24628",
"created_at": "2022-09-04T14:37:18.173195Z",
"updated_at": "2022-09-04T14:37:18.173205Z",
"structure_string": "Hg6 Se4 Cl4\n1.0\n7.499708 -0.000000 -2.651548\n-3.749854 6.494937 -2.651548\n0.000000 0.000000 7.954642\nHg Se Cl\n6 4 4\ndirect\n0.750001 0.940205 0.190205 Hg\n0.309795 0.250000 0.559795 Hg\n0.559795 0.309795 0.250000 Hg\n0.190206 0.750000 0.940205 Hg\n0.940205 0.190205 0.750000 Hg\n0.250000 0.559795 0.309795 Hg\n0.947195 0.500000 -0.000000 Se\n0.500000 -0.000000 0.947194 Se\n0.552806 0.552806 0.552806 Se\n0.000001 0.947195 0.500000 Se\n0.468501 0.500000 -0.000000 Cl\n0.500000 -0.000000 0.468500 Cl\n0.000000 0.468500 0.500000 Cl\n0.031500 0.031500 0.031500 Cl\n",
"nsites": 14,
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"elements": [
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"density": 7.119163909767298,
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"volume": 387.4716537062499,
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"formula_full": "Hg6 Se4 Cl4",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 199
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{
"id": "jvasp-85196",
"created_at": "2022-09-04T14:37:16.776622Z",
"updated_at": "2022-09-04T14:37:16.776645Z",
"structure_string": "La2 Zn2 Ga2\n1.0\n4.522842 0.000000 0.000000\n-2.261421 3.916923 -0.000000\n0.000000 0.000000 7.931660\nLa Zn Ga\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333337 0.666674 0.750000 Zn\n0.666662 0.333325 0.250000 Zn\n0.333338 0.666674 0.250000 Ga\n0.666662 0.333325 0.750000 Ga\n",
"nsites": 6,
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"elements": [
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"Ga"
],
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"density_atomic": 0.04270027877537631,
"volume": 140.51430510706595,
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"formula_full": "La2 Zn2 Ga2",
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"spacegroup": 194
},
{
"id": "jvasp-42114",
"created_at": "2022-09-04T14:37:31.699378Z",
"updated_at": "2022-09-04T14:37:31.699406Z",
"structure_string": "Pm1 Cd1 Au2\n1.0\n0.000004 3.536016 3.536017\n3.536016 0.000003 3.536017\n3.536015 3.536016 0.000004\nPm Cd Au\n1 1 2\ndirect\n0.750000 0.750000 0.750001 Pm\n0.249999 0.249999 0.249999 Cd\n0.500001 0.500001 0.500002 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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"density": 12.231720829562947,
"density_atomic": 0.045236390596399445,
"volume": 88.42438459973809,
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"formula_full": "Pm1 Cd1 Au2",
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},
{
"id": "jvasp-53045",
"created_at": "2022-09-04T14:37:31.700173Z",
"updated_at": "2022-09-04T14:37:31.700197Z",
"structure_string": "Na2 Yb2 F8\n1.0\n5.631938 -0.004130 0.075010\n-0.004433 5.636262 -0.025752\n-2.747601 -2.836605 4.819519\nYb Na F\n2 2 8\ndirect\n0.014477 0.004839 -0.000479 Yb\n0.735397 0.245172 0.500473 Yb\n0.484925 0.494508 -0.001137 Na\n0.265193 0.755486 0.501147 Na\n0.370383 0.884467 0.241212 F\n0.878995 0.370133 0.259030 F\n0.100948 0.610703 0.723652 F\n0.649065 0.639296 0.776366 F\n0.871112 0.879976 0.241188 F\n0.650398 0.137120 0.776003 F\n0.099582 0.112863 0.723954 F\n0.379526 0.365432 0.258594 F\n",
"nsites": 12,
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"volume": 153.73714752841428,
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{
"id": "jvasp-80243",
"created_at": "2022-09-04T14:37:07.419450Z",
"updated_at": "2022-09-04T14:37:07.419482Z",
"structure_string": "Rb2 Au1 I1\n1.0\n-11.436587 -0.000000 -6.602917\n-10.013355 0.049482 4.137807\n-7.173307 8.082352 -0.781301\nRb Au I\n2 1 1\ndirect\n0.742176 -0.000000 0.000000 Rb\n0.257824 -0.000000 0.000000 Rb\n0.500000 -0.000000 0.000000 Au\n0.000000 0.000000 0.000000 I\n",
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{
"id": "jvasp-8338",
"created_at": "2022-09-04T14:37:08.426645Z",
"updated_at": "2022-09-04T14:37:08.426669Z",
"structure_string": "Ca1 Sb1 F6\n1.0\n4.950518 0.181156 3.438164\n1.893957 4.577485 3.438164\n0.260562 0.181156 6.021685\nCa Sb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Sb\n0.384392 0.086825 0.764159 F\n0.086824 0.764160 0.384391 F\n0.235841 0.615609 0.913175 F\n0.913176 0.235843 0.615607 F\n0.615608 0.913178 0.235839 F\n0.764159 0.384393 0.086823 F\n",
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"volume": 128.54864958993903,
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},
{
"id": "jvasp-36003",
"created_at": "2022-09-04T14:37:08.345138Z",
"updated_at": "2022-09-04T14:37:08.345156Z",
"structure_string": "K1 Na1 I1 Cl1\n1.0\n4.444488 0.000000 -0.000000\n0.000000 4.444488 0.000000\n0.000000 0.000000 6.674309\nK Na I Cl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 Cl\n",
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