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{
"id": "jvasp-16778",
"created_at": "2022-09-04T14:38:02.680171Z",
"updated_at": "2022-09-04T14:38:02.680198Z",
"structure_string": "Li2 Cd1 Sn1\n1.0\n4.106643 -0.000000 2.370972\n1.368881 3.871780 2.370972\n-0.000000 -0.000000 4.741942\nLi Cd Sn\n2 1 1\ndirect\n0.749999 0.750000 0.749999 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Sn\n",
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{
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"created_at": "2022-09-04T14:37:48.570030Z",
"updated_at": "2022-09-04T14:37:48.570051Z",
"structure_string": "Zn3 Co1\n1.0\n3.730357 0.000000 -0.000000\n0.000000 3.730357 0.000000\n0.000000 0.000000 3.730357\nZn Co\n3 1\ndirect\n0.000000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Co\n",
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{
"id": "jvasp-38471",
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"updated_at": "2022-09-04T14:37:57.714869Z",
"structure_string": "Pr1 Ho1 Zn2\n1.0\n-0.000000 3.618881 3.618881\n3.618881 -0.000000 3.618881\n3.618881 3.618881 -0.000000\nPr Ho Zn\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pr\n0.249999 0.249999 0.249999 Ho\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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},
{
"id": "jvasp-37490",
"created_at": "2022-09-04T14:38:02.612240Z",
"updated_at": "2022-09-04T14:38:02.612257Z",
"structure_string": "Yb2 Ga1 Hg1\n1.0\n-0.000000 3.634133 3.634133\n3.634133 -0.000000 3.634133\n3.634133 3.634133 0.000000\nYb Ga Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.250000 0.250000 0.250000 Ga\n0.749999 0.749999 0.749999 Hg\n",
"nsites": 4,
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"Ga",
"Hg"
],
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"density": 10.662875732104135,
"density_atomic": 0.04167038794230948,
"volume": 95.99142694658364,
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"formula_full": "Yb2 Ga1 Hg1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-37769",
"created_at": "2022-09-04T14:37:48.528457Z",
"updated_at": "2022-09-04T14:37:48.528479Z",
"structure_string": "Pm1 Sm1 Hg2\n1.0\n-0.000000 3.774753 3.774753\n3.774753 -0.000000 3.774753\n3.774753 3.774753 0.000000\nPm Sm Hg\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Pm\n0.749999 0.749999 0.749999 Sm\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.75225477719439,
"density_atomic": 0.03718470828841062,
"volume": 107.57110070557371,
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"formula_full": "Pm1 Sm1 Hg2",
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"spacegroup": 225
},
{
"id": "jvasp-108999",
"created_at": "2022-09-04T14:37:46.540336Z",
"updated_at": "2022-09-04T14:37:46.540357Z",
"structure_string": "Rb2 Hg1 Au1 Br6\n1.0\n6.726338 -0.000000 3.883453\n2.242113 6.341652 3.883453\n-0.000000 -0.000000 7.766906\nRb Hg Au Br\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 Hg\n0.000000 0.000000 0.000000 Au\n0.755362 0.244638 0.244638 Br\n0.244638 0.244638 0.755362 Br\n0.244638 0.755362 0.755362 Br\n0.244638 0.755362 0.244638 Br\n0.755362 0.244638 0.755362 Br\n0.755362 0.755362 0.244638 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 5.252263385899216,
"density_atomic": 0.030183587547459517,
"volume": 331.3058788746163,
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"formula_full": "Rb2 Hg1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "jvasp-20267",
"created_at": "2022-09-04T14:37:46.540674Z",
"updated_at": "2022-09-04T14:37:46.540684Z",
"structure_string": "Ba8 Sn4\n1.0\n5.664589 0.000000 0.000000\n0.000000 8.625424 0.000000\n0.000000 0.000000 10.658381\nBa Sn\n8 4\ndirect\n0.750000 0.842166 0.079491 Ba\n0.250000 0.157834 0.920509 Ba\n0.750000 0.342166 0.420509 Ba\n0.250000 0.657833 0.579491 Ba\n0.750000 0.979144 0.681735 Ba\n0.250000 0.020855 0.318265 Ba\n0.750000 0.479145 0.818265 Ba\n0.250000 0.520855 0.181735 Ba\n0.750000 0.753703 0.397453 Sn\n0.250000 0.246297 0.602547 Sn\n0.750000 0.253703 0.102547 Sn\n0.250000 0.746296 0.897453 Sn\n",
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"elements": [
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"density": 5.01722528231383,
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"volume": 520.7629736672324,
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"formula_full": "Ba8 Sn4",
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"spacegroup": 62
},
{
"id": "jvasp-29624",
"created_at": "2022-09-04T14:38:02.623607Z",
"updated_at": "2022-09-04T14:38:02.623633Z",
"structure_string": "Yb1 I2\n1.0\n4.433452 0.000000 -0.000000\n-2.216726 3.839482 0.000000\n0.000000 -0.000000 6.939221\nYb I\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.666666 0.333333 0.745712 I\n0.333332 0.666667 0.254288 I\n",
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"elements": [
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"density_atomic": 0.025397787717237465,
"volume": 118.12052425195685,
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"formula_full": "Yb1 I2",
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"formula_anonymous": "AB2",
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"spacegroup": 164
},
{
"id": "jvasp-109845",
"created_at": "2022-09-04T14:38:03.315863Z",
"updated_at": "2022-09-04T14:38:03.315886Z",
"structure_string": "K2 Pr1 Ag1 Br6\n1.0\n6.952665 -0.000000 4.014123\n2.317555 6.555035 4.014123\n-0.000000 -0.000000 8.028246\nK Pr Ag Br\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.753366 0.246633 0.246633 Br\n0.246633 0.246633 0.753367 Br\n0.246632 0.753367 0.753367 Br\n0.246632 0.753367 0.246633 Br\n0.753366 0.246633 0.753367 Br\n0.753366 0.753367 0.246633 Br\n",
"nsites": 10,
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"elements": [
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],
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"density": 3.6597440542193778,
"density_atomic": 0.027330841855390784,
"volume": 365.88700973466655,
"volume_molar": 22.034230748776526,
"formula_full": "K2 Pr1 Ag1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-77404",
"created_at": "2022-09-04T14:38:06.761326Z",
"updated_at": "2022-09-04T14:38:06.761350Z",
"structure_string": "Sr2 Hg1 Sb1\n1.0\n-6.400714 -4.694855 -11.362119\n-4.322132 -3.112518 -1.915510\n-2.687482 1.510971 -4.746808\nSr Hg Sb\n2 1 1\ndirect\n0.749988 0.000013 0.000014 Sr\n0.250012 -0.000014 -0.000013 Sr\n0.500000 -0.000001 0.000000 Hg\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 4,
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-40582",
"created_at": "2022-09-04T14:37:48.560564Z",
"updated_at": "2022-09-04T14:37:48.560574Z",
"structure_string": "Sm1 Mg1 Zn2\n1.0\n0.000000 3.446646 3.446646\n3.446646 0.000000 3.446646\n3.446646 3.446646 -0.000000\nSm Mg Zn\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Sm\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
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"volume": 81.88795687538078,
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},
{
"id": "jvasp-109003",
"created_at": "2022-09-04T14:37:46.718242Z",
"updated_at": "2022-09-04T14:37:46.718263Z",
"structure_string": "Rb2 Sc1 Tl1 I6\n1.0\n7.529679 -0.000000 4.347262\n2.509893 7.099049 4.347262\n-0.000000 -0.000000 8.694524\nRb Sc Tl I\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.766394 0.233606 0.233606 I\n0.233606 0.233606 0.766393 I\n0.233606 0.766394 0.766393 I\n0.233606 0.766394 0.233606 I\n0.766394 0.233606 0.766393 I\n0.766394 0.766394 0.233606 I\n",
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"formula_full": "Rb2 Sc1 Tl1 I6",
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