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{
"id": "jvasp-88985",
"created_at": "2022-09-04T14:36:12.403728Z",
"updated_at": "2022-09-04T14:36:12.403750Z",
"structure_string": "Ba8 Cd4 Se12\n1.0\n4.528968 0.000000 0.000000\n0.000000 9.320019 0.000000\n0.000000 0.000000 18.039943\nBa Cd Se\n8 4 12\ndirect\n0.750000 0.575219 0.285460 Ba\n0.750000 0.075219 0.214540 Ba\n0.250000 0.924781 0.785460 Ba\n0.750000 0.740821 0.539699 Ba\n0.250000 0.759179 0.039699 Ba\n0.750000 0.240821 0.960301 Ba\n0.250000 0.259179 0.460301 Ba\n0.250000 0.424781 0.714540 Ba\n0.250000 0.874490 0.366451 Cd\n0.250000 0.374490 0.133549 Cd\n0.750000 0.125510 0.633549 Cd\n0.750000 0.625510 0.866451 Cd\n0.250000 0.485143 0.904213 Se\n0.750000 0.189676 0.777902 Se\n0.250000 0.810324 0.222098 Se\n0.750000 0.689676 0.722098 Se\n0.250000 0.115232 0.071969 Se\n0.750000 0.384768 0.571968 Se\n0.250000 0.615232 0.428031 Se\n0.750000 0.014857 0.404213 Se\n0.250000 0.985143 0.595787 Se\n0.750000 0.514857 0.095787 Se\n0.250000 0.310324 0.277902 Se\n0.750000 0.884769 0.928031 Se\n",
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{
"id": "jvasp-100369",
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"structure_string": "Na4 Sr1 Ca1 Si2\n1.0\n5.253657 0.000000 0.000000\n0.000000 5.253657 0.000000\n-0.000000 0.000000 7.456152\nNa Sr Ca Si\n4 1 1 2\ndirect\n0.500000 0.000000 0.269264 Na\n0.000000 0.500000 0.730736 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.737978 Si\n0.000000 0.500000 0.262022 Si\n",
"nsites": 8,
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"formula_full": "Na4 Sr1 Ca1 Si2",
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"spacegroup": 115
},
{
"id": "jvasp-39130",
"created_at": "2022-09-04T14:38:30.273033Z",
"updated_at": "2022-09-04T14:38:30.273069Z",
"structure_string": "Mg2 Cd4\n1.0\n2.790141 -4.832665 0.000000\n2.790141 4.832665 0.000000\n0.000000 0.000000 4.842314\nMg Cd\n2 4\ndirect\n0.333333 0.666667 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.662654 -0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n-0.000000 0.662654 0.000000 Cd\n0.337346 0.337346 0.000000 Cd\n",
"nsites": 6,
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"elements": [
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"density": 6.335838608166524,
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"volume": 130.5857492997509,
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"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
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"spacegroup": 189
},
{
"id": "jvasp-102119",
"created_at": "2022-09-04T14:36:40.013454Z",
"updated_at": "2022-09-04T14:36:40.013485Z",
"structure_string": "Nd2 Hg1 Pb1\n1.0\n4.736679 -0.000000 2.734723\n1.578893 4.465784 2.734723\n-0.000000 -0.000000 5.469447\nNd Hg Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Nd\n0.750000 0.749999 0.750000 Nd\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"elements": [
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"Hg",
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"density": 9.993421146103653,
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"volume": 115.6951319427418,
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"formula_full": "Nd2 Hg1 Pb1",
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},
{
"id": "jvasp-78979",
"created_at": "2022-09-04T14:37:11.313316Z",
"updated_at": "2022-09-04T14:37:11.313337Z",
"structure_string": "Zn1 Cu1 Ni2\n1.0\n0.000000 2.861857 2.861857\n2.861857 0.000000 2.861857\n2.861857 2.861857 -0.000000\nZn Cu Ni\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Zn\n0.249999 0.249999 0.249999 Cu\n0.000000 0.000000 0.000000 Ni\n0.500002 0.500002 0.500002 Ni\n",
"nsites": 4,
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"elements": [
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],
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"formula_full": "Zn1 Cu1 Ni2",
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{
"id": "jvasp-110384",
"created_at": "2022-09-04T14:38:39.355958Z",
"updated_at": "2022-09-04T14:38:39.355984Z",
"structure_string": "Rb2 Li1 Ta1 I6\n1.0\n7.039604 -0.000000 4.064318\n2.346535 6.637002 4.064318\n-0.000000 0.000000 8.128635\nRb Li Ta I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ta\n0.753658 0.246341 0.246342 I\n0.246341 0.246341 0.753659 I\n0.246341 0.753658 0.753660 I\n0.246341 0.753658 0.246342 I\n0.753658 0.246341 0.753660 I\n0.753658 0.753658 0.246343 I\n",
"nsites": 10,
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{
"id": "jvasp-39494",
"created_at": "2022-09-04T14:37:51.085490Z",
"updated_at": "2022-09-04T14:37:51.085499Z",
"structure_string": "Nd1 Er1 Tl2\n1.0\n0.000000 3.817102 3.817102\n3.817102 -0.000000 3.817102\n3.817102 3.817102 -0.000000\nNd Er Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250000 0.250000 0.250000 Er\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"density_atomic": 0.03596074661105282,
"volume": 111.23239579154254,
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"formula_full": "Nd1 Er1 Tl2",
"formula_reduced": "NdErTl2",
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"spacegroup": 225
},
{
"id": "jvasp-37926",
"created_at": "2022-09-04T14:37:56.310429Z",
"updated_at": "2022-09-04T14:37:56.310449Z",
"structure_string": "Dy1 Ho1 In2\n1.0\n-0.000000 3.730804 3.730804\n3.730804 -0.000000 3.730804\n3.730804 3.730804 -0.000000\nDy Ho In\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Dy\n0.749999 0.749999 0.749999 Ho\n0.000000 0.000000 0.000000 In\n0.499999 0.499999 0.499999 In\n",
"nsites": 4,
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"elements": [
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"formula_full": "Dy1 Ho1 In2",
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"spacegroup": 225
},
{
"id": "jvasp-106687",
"created_at": "2022-09-04T14:36:54.236524Z",
"updated_at": "2022-09-04T14:36:54.236550Z",
"structure_string": "Yb1 Er1 Se2\n1.0\n3.876694 -0.004533 5.968454\n1.764835 3.451686 5.968454\n-0.007419 -0.004533 7.116962\nYb Er Se\n1 1 2\ndirect\n0.499999 0.500002 0.499999 Yb\n0.000000 0.000000 0.000000 Er\n0.251191 0.251192 0.251191 Se\n0.748807 0.748811 0.748806 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-12743",
"created_at": "2022-09-04T14:37:56.333961Z",
"updated_at": "2022-09-04T14:37:56.333988Z",
"structure_string": "Na4 Mn2 Cl8\n1.0\n3.826929 0.000000 0.000000\n0.000000 6.900938 0.000000\n0.000000 -0.000000 11.827540\nNa Mn Cl\n4 2 8\ndirect\n0.500000 0.086612 0.679885 Na\n0.500000 0.913388 0.320115 Na\n0.500000 0.413388 0.179885 Na\n0.500000 0.586613 0.820114 Na\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.741023 0.544486 Cl\n0.500000 0.258977 0.455514 Cl\n0.000000 0.120727 0.197912 Cl\n0.000000 0.879274 0.802088 Cl\n0.000000 0.620727 0.302088 Cl\n0.000000 0.379273 0.697912 Cl\n0.500000 0.241023 0.955514 Cl\n0.500000 0.758977 0.044486 Cl\n",
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{
"id": "jvasp-64428",
"created_at": "2022-09-04T14:35:43.600348Z",
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"structure_string": "Ba4 Na1 Rh1\n1.0\n0.000000 5.000083 5.000083\n5.000083 0.000000 5.000083\n5.000083 5.000083 0.000000\nBa Na Rh\n4 1 1\ndirect\n0.119829 0.626723 0.626723 Ba\n0.626723 0.626723 0.626723 Ba\n0.626723 0.119829 0.626723 Ba\n0.626723 0.626723 0.119829 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Rh\n",
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{
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"created_at": "2022-09-04T14:37:07.183415Z",
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"structure_string": "Ce2 Cu4\n1.0\n4.027053 -0.000000 1.733447\n1.844958 5.050887 1.258334\n0.010135 0.135317 5.520898\nCe Cu\n2 4\ndirect\n0.518297 0.731703 0.231702 Ce\n0.481701 0.268298 0.768298 Ce\n0.833636 0.692774 0.639953 Cu\n0.166362 0.307227 0.360048 Cu\n0.833637 0.139952 0.192774 Cu\n0.166361 0.860049 0.807226 Cu\n",
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}