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{
"id": "jvasp-12129",
"created_at": "2022-09-04T14:37:04.070642Z",
"updated_at": "2022-09-04T14:37:04.070677Z",
"structure_string": "Zn2 Cl4\n1.0\n3.700523 -0.000000 0.000000\n0.000000 3.700523 0.000000\n0.000000 0.000000 10.587052\nZn Cl\n2 4\ndirect\n0.749999 0.250000 0.250000 Zn\n0.250000 0.749999 0.750000 Zn\n0.250000 0.250000 0.379003 Cl\n0.749999 0.749999 0.620997 Cl\n0.749999 0.749999 0.120997 Cl\n0.250000 0.250000 0.879003 Cl\n",
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{
"id": "jvasp-104979",
"created_at": "2022-09-04T14:38:47.510190Z",
"updated_at": "2022-09-04T14:38:47.510220Z",
"structure_string": "Zn2 Cl6\n1.0\n8.996057 0.000000 0.000000\n-4.498029 7.790813 0.000000\n-0.000000 -0.000000 2.975034\nZn Cl\n2 6\ndirect\n0.666667 0.333333 0.749999 Zn\n0.333333 0.666666 0.250000 Zn\n0.573520 0.721633 0.749999 Cl\n0.851888 0.573520 0.250000 Cl\n0.426480 0.278367 0.250000 Cl\n0.148112 0.426479 0.749999 Cl\n0.278367 0.851887 0.749999 Cl\n0.721633 0.148112 0.250000 Cl\n",
"nsites": 8,
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"elements": [
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"density": 2.7358635911869,
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"volume": 208.51001147174048,
"volume_molar": 15.695957986900451,
"formula_full": "Zn2 Cl6",
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{
"id": "jvasp-12464",
"created_at": "2022-09-04T14:37:27.571168Z",
"updated_at": "2022-09-04T14:37:27.571192Z",
"structure_string": "Zn4 Cl8\n1.0\n6.119620 0.000000 0.000000\n0.000000 6.421573 0.000000\n0.000000 0.000000 7.541139\nZn Cl\n4 8\ndirect\n0.373779 0.585091 0.375459 Zn\n0.873779 0.414909 0.624541 Zn\n0.873779 0.914908 0.875459 Zn\n0.373779 0.085091 0.124541 Zn\n0.001155 0.579219 0.875052 Cl\n0.501155 0.420780 0.124948 Cl\n0.501155 0.920780 0.375052 Cl\n0.001155 0.079219 0.624948 Cl\n-0.002034 0.076881 0.127519 Cl\n0.497966 0.923118 0.872482 Cl\n0.497966 0.423118 0.627519 Cl\n-0.002034 0.576881 0.372481 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "Cl-Zn",
"density": 3.0552722220661908,
"density_atomic": 0.04049285710543735,
"volume": 296.34856263053484,
"volume_molar": 14.872106318206306,
"formula_full": "Zn4 Cl8",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
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"spacegroup": 33
},
{
"id": "jvasp-3522",
"created_at": "2022-09-04T14:36:46.593416Z",
"updated_at": "2022-09-04T14:36:46.593440Z",
"structure_string": "Zn2 Cl4\n1.0\n4.820215 -0.000000 -2.229667\n-1.031368 4.708582 -2.229667\n0.047583 0.059133 6.428000\nZn Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.249999 0.749999 0.499999 Zn\n0.378558 0.375000 0.249999 Cl\n0.124999 0.621440 0.749999 Cl\n0.624999 0.128558 0.749999 Cl\n0.871440 0.874999 0.249999 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Cl-Zn",
"density": 3.0762596012824592,
"density_atomic": 0.04077101200812792,
"volume": 147.16338163997176,
"volume_molar": 14.770643315891826,
"formula_full": "Zn2 Cl4",
"formula_reduced": "ZnCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0008866666666666,
"spacegroup": 122
},
{
"id": "jvasp-37605",
"created_at": "2022-09-04T14:37:52.642563Z",
"updated_at": "2022-09-04T14:37:52.642573Z",
"structure_string": "Zn3 Cd1\n1.0\n-2.058585 2.058585 4.098909\n2.058585 -2.058585 4.098909\n2.058585 2.058585 -4.098909\nZn Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Zn\n0.250000 0.749999 0.499999 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Zn",
"density": 7.376198877290368,
"density_atomic": 0.05756971977286963,
"volume": 69.48097047859949,
"volume_molar": 10.460604609088268,
"formula_full": "Zn3 Cd1",
"formula_reduced": "Zn3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-79111",
"created_at": "2022-09-04T14:36:45.066121Z",
"updated_at": "2022-09-04T14:36:45.066149Z",
"structure_string": "Zn3 C1\n1.0\n-1.837450 1.837450 3.801223\n1.837450 -1.837450 3.801223\n1.837450 1.837450 -3.801223\nZn C\n3 1\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"C"
],
"chemical_system": "C-Zn",
"density": 6.7358755698975985,
"density_atomic": 0.07791939852925141,
"volume": 51.335098518482226,
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"formula_full": "Zn3 C1",
"formula_reduced": "Zn3C",
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"spacegroup": 139
},
{
"id": "jvasp-39579",
"created_at": "2022-09-04T14:37:45.436854Z",
"updated_at": "2022-09-04T14:37:45.436881Z",
"structure_string": "Zn3 C1\n1.0\n3.714940 -0.000000 0.000000\n-0.000000 3.714940 -0.000000\n0.000000 0.000000 3.714940\nZn C\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 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
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],
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"density": 6.744551018425395,
"density_atomic": 0.07801975455932393,
"volume": 51.26906669462178,
"volume_molar": 7.718738406721008,
"formula_full": "Zn3 C1",
"formula_reduced": "Zn3C",
"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-29602",
"created_at": "2022-09-04T14:38:27.661975Z",
"updated_at": "2022-09-04T14:38:27.662003Z",
"structure_string": "Zn1 Br2\n1.0\n3.666504 0.036456 5.474116\n1.690858 3.253548 5.474116\n0.059364 0.036456 6.588298\nZn Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.746528 0.746533 0.746532 Br\n0.253469 0.253470 0.253470 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Zn",
"Br"
],
"chemical_system": "Br-Zn",
"density": 4.872918671557037,
"density_atomic": 0.039089503228827975,
"volume": 76.74694616706054,
"volume_molar": 15.406030423939368,
"formula_full": "Zn1 Br2",
"formula_reduced": "ZnBr2",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-79520",
"created_at": "2022-09-04T14:37:11.679667Z",
"updated_at": "2022-09-04T14:37:11.679685Z",
"structure_string": "Zn2 Bi2\n1.0\n-2.386598 -4.139657 0.000000\n-2.386598 4.139657 0.000000\n0.000000 0.000000 -6.182891\nZn Bi\n2 2\ndirect\n0.243026 0.756974 0.560023 Zn\n0.756974 0.243026 0.060023 Zn\n0.422255 0.577746 0.057977 Bi\n0.577746 0.422255 0.557977 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Zn",
"Bi"
],
"chemical_system": "Bi-Zn",
"density": 7.459010296561446,
"density_atomic": 0.032741213728887116,
"volume": 122.17018077344079,
"volume_molar": 18.393150632307655,
"formula_full": "Zn2 Bi2",
"formula_reduced": "ZnBi",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-104995",
"created_at": "2022-09-04T14:36:57.987116Z",
"updated_at": "2022-09-04T14:36:57.987148Z",
"structure_string": "Zn1 Bi3\n1.0\n4.880597 0.000000 0.000000\n0.000000 4.880597 0.000000\n-0.000000 0.000000 4.880597\nZn Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n-0.000000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.500000 0.500000 -0.000000 Bi\n",
"nsites": 4,
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"elements": [
"Zn",
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],
"chemical_system": "Bi-Zn",
"density": 9.889084174610108,
"density_atomic": 0.03440655142878323,
"volume": 116.25692880844052,
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"formula_full": "Zn1 Bi3",
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},
{
"id": "jvasp-39537",
"created_at": "2022-09-04T14:38:11.500709Z",
"updated_at": "2022-09-04T14:38:11.500737Z",
"structure_string": "Zn1 Bi3\n1.0\n-2.487261 2.487261 4.724959\n2.487261 -2.487261 4.724959\n2.487261 2.487261 -4.724959\nZn Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749998 0.249999 0.499999 Bi\n0.249999 0.749998 0.499999 Bi\n0.500000 0.500000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 9.832731119281496,
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"volume": 116.92321705145265,
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"formula_full": "Zn1 Bi3",
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"spacegroup": 139
},
{
"id": "jvasp-39580",
"created_at": "2022-09-04T14:37:45.662515Z",
"updated_at": "2022-09-04T14:37:45.662530Z",
"structure_string": "Zn3 B1\n1.0\n-1.856684 1.856684 3.756079\n1.856684 -1.856684 3.756079\n1.856684 1.856684 -3.756079\nZn B\n3 1\ndirect\n0.250000 0.750001 0.500000 Zn\n0.750001 0.250000 0.500000 Zn\n0.499999 0.499999 0.000000 Zn\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "B-Zn",
"density": 6.637865710629353,
"density_atomic": 0.07723057925443948,
"volume": 51.792956088310916,
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"formula_full": "Zn3 B1",
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"spacegroup": 139
}
]
}