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{
"id": "jvasp-65737",
"created_at": "2022-09-04T14:36:08.035732Z",
"updated_at": "2022-09-04T14:36:08.035753Z",
"structure_string": "Ba1 Zn4 Br1\n1.0\n0.000000 4.216839 4.216839\n4.216839 0.000000 4.216839\n4.216839 4.216839 -0.000000\nBa Zn Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.115973 0.628009 0.628009 Zn\n0.628009 0.628009 0.628009 Zn\n0.628009 0.115973 0.628009 Zn\n0.628009 0.628009 0.115973 Zn\n0.000000 0.000000 0.000000 Br\n",
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{
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"structure_string": "Ba2 Li1 Zn1\n1.0\n-0.000000 4.171108 4.171108\n4.171108 -0.000000 4.171108\n4.171108 4.171108 -0.000000\nBa Li Zn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Zn\n",
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{
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"structure_string": "Yb3 Cd3 Sn3\n1.0\n0.000000 0.000000 -4.598236\n-3.824439 -6.624122 0.000000\n-3.824589 6.624209 0.000000\nYb Cd Sn\n3 3 3\ndirect\n0.500000 0.576105 0.000000 Yb\n0.500000 0.423875 0.423882 Yb\n0.500000 0.999993 0.576118 Yb\n0.000000 0.254758 0.000000 Cd\n0.000000 0.745218 0.745236 Cd\n0.000000 0.999983 0.254765 Cd\n0.000000 0.333324 0.666666 Sn\n0.000000 0.666659 0.333335 Sn\n0.500000 -0.000014 -0.000000 Sn\n",
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"volume": 232.98538684030376,
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{
"id": "jvasp-1405",
"created_at": "2022-09-04T14:36:01.242232Z",
"updated_at": "2022-09-04T14:36:01.242243Z",
"structure_string": "Ca1 O1\n1.0\n2.945310 0.000000 1.700475\n0.981770 2.776865 1.700475\n0.000000 0.000000 3.400951\nCa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500002 O\n",
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"volume": 27.815454031278747,
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"spacegroup": 225
},
{
"id": "jvasp-18660",
"created_at": "2022-09-04T14:36:02.148192Z",
"updated_at": "2022-09-04T14:36:02.148220Z",
"structure_string": "Ce1 Hg2\n1.0\n2.535585 -4.391764 -0.000000\n2.535585 4.391764 -0.000000\n-0.000000 -0.000000 3.333850\nCe Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
"nsites": 3,
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"elements": [
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"formula_full": "Ce1 Hg2",
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},
{
"id": "jvasp-3633",
"created_at": "2022-09-04T14:35:54.411151Z",
"updated_at": "2022-09-04T14:35:54.411176Z",
"structure_string": "Pr2 Cl6\n1.0\n3.713237 -6.431517 0.000000\n3.713237 6.431517 0.000000\n0.000000 0.000000 4.318180\nPr Cl\n2 6\ndirect\n0.666667 0.333333 0.750000 Pr\n0.333333 0.666667 0.250000 Pr\n0.299628 0.914719 0.750000 Cl\n0.384909 0.299628 0.250000 Cl\n0.700373 0.085282 0.250000 Cl\n0.615092 0.700373 0.750000 Cl\n0.085282 0.384909 0.750000 Cl\n0.914719 0.615092 0.250000 Cl\n",
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"volume": 206.25136357548905,
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"spacegroup": 176
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{
"id": "jvasp-93090",
"created_at": "2022-09-04T14:35:54.197877Z",
"updated_at": "2022-09-04T14:35:54.197903Z",
"structure_string": "Mg6 Ga1 Si1\n1.0\n6.137309 -0.061782 0.000000\n-3.122160 5.284174 0.000000\n0.000000 0.000000 5.097184\nMg Ga Si\n6 1 1\ndirect\n0.159102 0.853602 0.250000 Mg\n0.646397 0.340897 0.250000 Mg\n0.659390 0.840610 0.250000 Mg\n0.338435 0.642011 0.749999 Mg\n0.857989 0.161565 0.749999 Mg\n0.838787 0.661213 0.749999 Mg\n0.360176 0.139824 0.749999 Ga\n0.139723 0.360277 0.250000 Si\n",
"nsites": 8,
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"spacegroup": 38
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{
"id": "jvasp-71218",
"created_at": "2022-09-04T14:36:05.583542Z",
"updated_at": "2022-09-04T14:36:05.583569Z",
"structure_string": "Be1 Cd1 Cl2\n1.0\n3.143368 -0.000000 0.000000\n-0.000000 3.143368 0.000000\n0.000000 0.000000 7.714746\nBe Cd Cl\n1 1 2\ndirect\n0.000000 0.000000 0.456913 Be\n0.500000 0.500000 0.746982 Cd\n0.000000 0.000000 0.971971 Cl\n0.500000 0.500000 0.324136 Cl\n",
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{
"id": "jvasp-65235",
"created_at": "2022-09-04T14:36:04.308370Z",
"updated_at": "2022-09-04T14:36:04.308392Z",
"structure_string": "Be1 In1 Ga4\n1.0\n-0.000000 3.915913 3.915913\n3.915913 -0.000000 3.915913\n3.915913 3.915913 0.000000\nBe In Ga\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 In\n0.122931 0.625690 0.625690 Ga\n0.625690 0.625690 0.625690 Ga\n0.625690 0.122931 0.625690 Ga\n0.625690 0.625690 0.122931 Ga\n",
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},
{
"id": "jvasp-18701",
"created_at": "2022-09-04T14:35:49.089072Z",
"updated_at": "2022-09-04T14:35:49.089096Z",
"structure_string": "Dy1 Zn5\n1.0\n2.653531 -4.596050 0.000000\n2.653531 4.596050 -0.000000\n0.000000 0.000000 4.193691\nDy Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 -0.000000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n-0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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{
"id": "jvasp-109257",
"created_at": "2022-09-04T14:38:18.946327Z",
"updated_at": "2022-09-04T14:38:18.946347Z",
"structure_string": "Rb3 As1 I6\n1.0\n7.618055 -0.000000 4.398286\n2.539352 7.182371 4.398286\n-0.000000 -0.000000 8.796573\nRb As I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.769564 0.230436 0.230436 I\n0.230436 0.230436 0.769564 I\n0.230436 0.769564 0.769564 I\n0.230436 0.769564 0.230437 I\n0.769564 0.230436 0.769564 I\n0.769564 0.769564 0.230437 I\n",
"nsites": 10,
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"volume": 481.3106256192881,
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{
"id": "jvasp-109400",
"created_at": "2022-09-04T14:38:06.002414Z",
"updated_at": "2022-09-04T14:38:06.002442Z",
"structure_string": "Hg2 I3 Br1\n1.0\n4.373231 0.233114 0.059225\n1.754292 4.012724 0.059225\n-0.105751 -0.073276 13.355876\nHg I Br\n2 3 1\ndirect\n0.655013 0.655011 0.659497 Hg\n0.346302 0.346301 0.174422 Hg\n0.389109 0.389107 0.522262 I\n0.609683 0.609682 0.036040 I\n0.911151 0.911148 0.802810 I\n0.088744 0.088743 0.300253 Br\n",
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"formula_anonymous": "AB2C3",
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"spacegroup": 8
}
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}