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{
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{
"id": "jvasp-66180",
"created_at": "2022-09-04T14:36:11.866845Z",
"updated_at": "2022-09-04T14:36:11.866873Z",
"structure_string": "Ba1 Cd1 Hg1\n1.0\n0.000000 3.934201 3.934201\n3.934201 0.000000 3.934201\n3.934201 3.934201 0.000000\nBa Cd Hg\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "jvasp-66520",
"created_at": "2022-09-04T14:36:22.123248Z",
"updated_at": "2022-09-04T14:36:22.123277Z",
"structure_string": "Ba1 Tl1 Cd1\n1.0\n0.000000 3.959746 3.959746\n3.959746 0.000000 3.959746\n3.959746 3.959746 -0.000000\nBa Tl Cd\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "jvasp-100083",
"created_at": "2022-09-04T14:36:36.941791Z",
"updated_at": "2022-09-04T14:36:36.941813Z",
"structure_string": "K3 Ce1 I6\n1.0\n7.776404 -0.000000 4.489709\n2.592135 7.331663 4.489709\n-0.000000 -0.000000 8.979417\nK Ce I\n3 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Ce\n0.756555 0.243444 0.243445 I\n0.243444 0.243444 0.756556 I\n0.243444 0.756555 0.756557 I\n0.243444 0.756555 0.243445 I\n0.756555 0.243444 0.756556 I\n0.756555 0.756556 0.243445 I\n",
"nsites": 10,
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"elements": [
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"Ce",
"I"
],
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"density": 3.3046438621984846,
"density_atomic": 0.019533071966266313,
"volume": 511.9522427025322,
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"formula_full": "K3 Ce1 I6",
"formula_reduced": "K3CeI6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-14591",
"created_at": "2022-09-04T14:36:07.574497Z",
"updated_at": "2022-09-04T14:36:07.574522Z",
"structure_string": "Sb2\n1.0\n3.862705 0.008824 2.527338\n1.371145 3.611168 2.527338\n0.012757 0.008824 4.616033\nSb\n2\ndirect\n0.267192 0.267192 0.267192 Sb\n0.732809 0.732807 0.732808 Sb\n",
"nsites": 2,
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"elements": [
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],
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"density": 6.3025045962693635,
"density_atomic": 0.03117162436957734,
"volume": 64.16091687387154,
"volume_molar": 19.319303635255682,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy_above_hull": 0.0,
"spacegroup": 166
},
{
"id": "jvasp-70767",
"created_at": "2022-09-04T14:36:12.484931Z",
"updated_at": "2022-09-04T14:36:12.484960Z",
"structure_string": "Li1 Be1 Zn2\n1.0\n2.935418 0.000000 0.000000\n0.000000 2.935418 0.000000\n-0.000000 0.000000 5.803885\nLi Be Zn\n1 1 2\ndirect\n0.500000 0.500000 0.733693 Li\n0.000000 0.000000 0.502995 Be\n0.000000 0.000000 0.980721 Zn\n0.500000 0.500000 0.282593 Zn\n",
"nsites": 4,
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"elements": [
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"Be",
"Zn"
],
"chemical_system": "Be-Li-Zn",
"density": 4.873390188791927,
"density_atomic": 0.07998366247524008,
"volume": 50.0102130386721,
"volume_molar": 7.529213558911767,
"formula_full": "Li1 Be1 Zn2",
"formula_reduced": "LiBeZn2",
"formula_anonymous": "ABC2",
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"spacegroup": 99
},
{
"id": "jvasp-99689",
"created_at": "2022-09-04T14:36:38.542209Z",
"updated_at": "2022-09-04T14:36:38.542227Z",
"structure_string": "Na3 Ir1 F6\n1.0\n5.096638 -0.000000 2.942545\n1.698880 4.805157 2.942545\n0.000000 -0.000000 5.885091\nNa Ir F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750001 0.750001 Na\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Ir\n0.242419 0.242419 0.757581 F\n0.242419 0.757581 0.757581 F\n0.757581 0.757581 0.242420 F\n0.242419 0.757581 0.242420 F\n0.757581 0.242419 0.757581 F\n0.757581 0.242419 0.242420 F\n",
"nsites": 10,
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"elements": [
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"F"
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"density": 4.322554077275347,
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"volume": 144.12673641361127,
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"formula_full": "Na3 Ir1 F6",
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"formula_anonymous": "AB3C6",
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},
{
"id": "jvasp-102974",
"created_at": "2022-09-04T14:36:36.909479Z",
"updated_at": "2022-09-04T14:36:36.909507Z",
"structure_string": "Pr1 Eu1 Hg2\n1.0\n4.649459 0.000000 2.684366\n1.549819 4.383552 2.684366\n0.000000 -0.000000 5.368733\nPr Eu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750001 Hg\n",
"nsites": 4,
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"elements": [
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"Eu",
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"volume": 109.42092734114313,
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"formula_full": "Pr1 Eu1 Hg2",
"formula_reduced": "PrEuHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-19905",
"created_at": "2022-09-04T14:36:20.554540Z",
"updated_at": "2022-09-04T14:36:20.554559Z",
"structure_string": "Hg4 Pt1\n1.0\n5.190924 -0.000000 -1.835269\n-2.595461 4.495471 -1.835269\n0.000000 0.000000 5.505805\nHg Pt\n4 1\ndirect\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 -0.000000 Hg\n0.000000 0.500000 -0.000000 Hg\n-0.000000 -0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 5,
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],
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"density": 12.891306167729782,
"density_atomic": 0.038916099725474974,
"volume": 128.4815291170337,
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"formula_full": "Hg4 Pt1",
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"formula_anonymous": "AB4",
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"spacegroup": 229
},
{
"id": "jvasp-107954",
"created_at": "2022-09-04T14:38:18.063553Z",
"updated_at": "2022-09-04T14:38:18.063563Z",
"structure_string": "Mg5 Pb1\n1.0\n4.988223 0.016592 3.641141\n1.859235 4.628811 3.641141\n0.024457 0.016592 6.175733\nMg Pb\n5 1\ndirect\n0.000001 0.671067 0.328932 Mg\n0.671067 0.328932 0.000000 Mg\n0.328933 -0.000000 0.671067 Mg\n0.830798 0.830796 0.830796 Mg\n0.169203 0.169203 0.169203 Mg\n0.500001 0.499999 0.500000 Pb\n",
"nsites": 6,
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"volume": 141.80457311989946,
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"formula_full": "Mg5 Pb1",
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"spacegroup": 155
},
{
"id": "jvasp-109093",
"created_at": "2022-09-04T14:38:18.058425Z",
"updated_at": "2022-09-04T14:38:18.058443Z",
"structure_string": "Yb6 Pb2\n1.0\n6.998076 -0.000000 0.000000\n-3.499038 6.060512 0.000000\n-0.000000 -0.000000 5.563048\nYb Pb\n6 2\ndirect\n0.171964 0.343927 0.250000 Yb\n0.656073 0.828036 0.250000 Yb\n0.171964 0.828036 0.250000 Yb\n0.828036 0.656073 0.750000 Yb\n0.343927 0.171964 0.750000 Yb\n0.828036 0.171964 0.750000 Yb\n0.333333 0.666666 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n",
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"volume": 235.93956661956707,
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"spacegroup": 194
},
{
"id": "jvasp-109091",
"created_at": "2022-09-04T14:38:18.014773Z",
"updated_at": "2022-09-04T14:38:18.014792Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n3.543290 -0.000000 2.045720\n1.181097 3.340646 2.045720\n-0.000000 -0.000000 4.091439\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500001 0.500000 Ga\n0.250000 0.250000 0.250000 Ni\n0.750000 0.750001 0.750000 Ni\n",
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"volume": 48.42986250905713,
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-109656",
"created_at": "2022-09-04T14:38:18.011976Z",
"updated_at": "2022-09-04T14:38:18.012004Z",
"structure_string": "Yb1 Ga3 Cu1\n1.0\n3.863098 -0.010526 -4.711858\n-0.501893 3.830371 -4.711858\n0.009262 0.010526 6.093032\nYb Ga Cu\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.614455 0.614454 -0.000001 Ga\n0.385546 0.385545 -0.000000 Ga\n0.750000 0.250000 0.499999 Ga\n0.250000 0.750000 0.500000 Cu\n",
"nsites": 5,
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"formula_full": "Yb1 Ga3 Cu1",
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"formula_anonymous": "ABC3",
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}
]
}