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"results": [
{
"id": "jvasp-105018",
"created_at": "2022-09-04T14:36:47.314451Z",
"updated_at": "2022-09-04T14:36:47.314476Z",
"structure_string": "K2 Hg1 Bi1 Cl6\n1.0\n6.740251 -0.000000 3.891485\n2.246750 6.354769 3.891485\n-0.000000 -0.000000 7.782971\nK Hg Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Hg\n0.000000 0.000000 0.000000 Bi\n0.754222 0.245778 0.245778 Cl\n0.245778 0.245778 0.754223 Cl\n0.245778 0.754222 0.754223 Cl\n0.245778 0.754222 0.245778 Cl\n0.754222 0.245778 0.754223 Cl\n0.754222 0.754222 0.245779 Cl\n",
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{
"id": "jvasp-102858",
"created_at": "2022-09-04T14:36:33.080460Z",
"updated_at": "2022-09-04T14:36:33.080482Z",
"structure_string": "K2 Li1 Er1 Cl6\n1.0\n6.224713 -0.000000 3.593840\n2.074904 5.868716 3.593840\n-0.000000 0.000000 7.187679\nK Li Er Cl\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 Li\n0.000000 0.000000 0.000000 Er\n0.745848 0.254152 0.254152 Cl\n0.254151 0.254152 0.745849 Cl\n0.254151 0.745849 0.745849 Cl\n0.254151 0.745849 0.254152 Cl\n0.745848 0.254152 0.745849 Cl\n0.745847 0.745849 0.254152 Cl\n",
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"spacegroup": 225
},
{
"id": "jvasp-18473",
"created_at": "2022-09-04T14:36:37.006551Z",
"updated_at": "2022-09-04T14:36:37.006566Z",
"structure_string": "Tb2 Br2\n1.0\n3.771713 0.023202 9.292370\n1.832836 3.296523 9.292370\n0.039170 0.023202 10.028580\nTb Br\n2 2\ndirect\n0.880526 0.880523 0.880525 Tb\n0.119475 0.119475 0.119475 Tb\n0.612690 0.612688 0.612690 Br\n0.387311 0.387310 0.387311 Br\n",
"nsites": 4,
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"elements": [
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],
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"density": 6.4666923390704145,
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"volume": 122.65481180528646,
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"formula_full": "Tb2 Br2",
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"formula_anonymous": "AB",
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"spacegroup": 166
},
{
"id": "jvasp-99682",
"created_at": "2022-09-04T14:36:36.215336Z",
"updated_at": "2022-09-04T14:36:36.215347Z",
"structure_string": "Na2 Eu1 Cu1 Cl6\n1.0\n6.286197 0.000000 3.629338\n2.095399 5.926684 3.629338\n0.000000 0.000000 7.258676\nNa Eu Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.750001 Na\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500001 Cu\n0.257618 0.742382 0.257618 Cl\n0.742383 0.742382 0.257618 Cl\n0.742383 0.257617 0.742383 Cl\n0.742383 0.257617 0.257618 Cl\n0.257618 0.742382 0.742384 Cl\n0.257617 0.257617 0.742383 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
],
"chemical_system": "Cl-Cu-Eu-Na",
"density": 2.9117922149254136,
"density_atomic": 0.03697794986866101,
"volume": 270.43143374681915,
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"formula_full": "Na2 Eu1 Cu1 Cl6",
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"spacegroup": 225
},
{
"id": "jvasp-104624",
"created_at": "2022-09-04T14:36:31.083326Z",
"updated_at": "2022-09-04T14:36:31.083342Z",
"structure_string": "Yb1 Dy1 Cd2\n1.0\n4.557992 -0.000000 2.631558\n1.519331 4.297316 2.631558\n-0.000000 -0.000000 5.263116\nYb Dy Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500001 Dy\n0.749999 0.750001 0.750001 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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],
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"density": 9.026179857431066,
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"volume": 103.08934755737727,
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{
"id": "jvasp-56314",
"created_at": "2022-09-04T14:36:47.278901Z",
"updated_at": "2022-09-04T14:36:47.278913Z",
"structure_string": "Li3 Zn3 Ge3\n1.0\n2.138774 -3.704465 -0.000000\n2.138774 3.704465 0.000000\n0.000000 0.000000 9.466359\nLi Zn Ge\n3 3 3\ndirect\n0.333332 0.666666 0.166727 Li\n0.333332 0.666666 0.500000 Li\n0.333332 0.666666 0.833273 Li\n0.000000 0.000000 0.706139 Zn\n0.000000 0.000000 0.293861 Zn\n0.666666 0.333332 0.000000 Zn\n0.666666 0.333332 0.363636 Ge\n0.666666 0.333332 0.636364 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.815097039837942,
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"volume_molar": 10.037180888243281,
"formula_full": "Li3 Zn3 Ge3",
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"formula_anonymous": "ABC",
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},
{
"id": "jvasp-101571",
"created_at": "2022-09-04T14:36:31.082872Z",
"updated_at": "2022-09-04T14:36:31.082894Z",
"structure_string": "K3 Ba1\n1.0\n6.439524 -0.000000 0.000000\n0.000000 6.439524 0.000000\n0.000000 0.000000 6.439524\nK Ba\n3 1\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.014979547445901997,
"volume": 267.03076407654044,
"volume_molar": 40.202421212981946,
"formula_full": "K3 Ba1",
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"formula_anonymous": "AB3",
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"spacegroup": 221
},
{
"id": "jvasp-100671",
"created_at": "2022-09-04T14:36:47.282504Z",
"updated_at": "2022-09-04T14:36:47.282529Z",
"structure_string": "Rb1 Au1 Cl3\n1.0\n5.107179 -0.000000 0.000000\n0.000000 5.107179 0.000000\n0.000000 0.000000 5.107179\nRb Au Cl\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Cl\n0.500000 0.000000 -0.000000 Cl\n-0.000000 0.500000 -0.000000 Cl\n",
"nsites": 5,
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"elements": [
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"Au",
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],
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"density": 4.846460840771618,
"density_atomic": 0.03753416558531984,
"volume": 133.2119662720189,
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"formula_full": "Rb1 Au1 Cl3",
"formula_reduced": "RbAuCl3",
"formula_anonymous": "ABC3",
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},
{
"id": "jvasp-105080",
"created_at": "2022-09-04T14:36:47.187522Z",
"updated_at": "2022-09-04T14:36:47.187546Z",
"structure_string": "K1 Rb2 Al1 Br6\n1.0\n6.797185 -0.000000 3.924357\n2.265728 6.408448 3.924357\n-0.000000 -0.000000 7.848714\nK Rb Al Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750001 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.773763 0.226238 0.226238 Br\n0.226238 0.226238 0.773762 Br\n0.226238 0.773762 0.773762 Br\n0.226238 0.773762 0.226238 Br\n0.773763 0.226238 0.773762 Br\n0.773763 0.773762 0.226238 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Al-Br-K-Rb",
"density": 3.4797506391210327,
"density_atomic": 0.029249573706715555,
"volume": 341.8853245612961,
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"formula_full": "K1 Rb2 Al1 Br6",
"formula_reduced": "KRb2AlBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-101709",
"created_at": "2022-09-04T14:36:37.116281Z",
"updated_at": "2022-09-04T14:36:37.116321Z",
"structure_string": "K1 Na1 Mg2 F6\n1.0\n4.847231 -0.000000 2.798550\n1.615744 4.570013 2.798550\n-0.000000 -0.000000 5.597100\nK Na Mg F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.750000 Mg\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.500000 F\n-0.000000 0.500000 0.000000 F\n-0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 10,
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"density_atomic": 0.08065397592742607,
"volume": 123.9864480952332,
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"formula_full": "K1 Na1 Mg2 F6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-99722",
"created_at": "2022-09-04T14:36:30.990765Z",
"updated_at": "2022-09-04T14:36:30.990775Z",
"structure_string": "Rb2 Ga1 Hg1 F6\n1.0\n5.456645 0.000000 3.150395\n1.818882 5.144575 3.150395\n-0.000000 -0.000000 6.300790\nRb Ga Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.749999 0.750001 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500001 Hg\n0.216168 0.216167 0.783833 F\n0.216168 0.783832 0.783834 F\n0.783833 0.783832 0.216169 F\n0.216168 0.783832 0.216168 F\n0.783833 0.216167 0.783833 F\n0.783833 0.216167 0.216168 F\n",
"nsites": 10,
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],
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"volume": 176.87652951487868,
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"formula_full": "Rb2 Ga1 Hg1 F6",
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"formula_anonymous": "ABC2D6",
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{
"id": "jvasp-104903",
"created_at": "2022-09-04T14:36:47.170595Z",
"updated_at": "2022-09-04T14:36:47.170612Z",
"structure_string": "Zn3 P1 Br3\n1.0\n4.041715 -0.000000 0.000000\n0.000000 6.609176 0.076449\n0.000000 -0.046026 6.920494\nZn P Br\n3 1 3\ndirect\n-0.000000 0.470777 0.692784 Zn\n0.499999 0.505966 0.123161 Zn\n0.499999 0.027027 0.855964 Zn\n0.499999 0.372561 0.818620 P\n-0.000000 0.870131 0.671033 Br\n0.499999 0.872973 0.181200 Br\n-0.000000 0.376564 0.323887 Br\n",
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"formula_full": "Zn3 P1 Br3",
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"formula_anonymous": "AB3C3",
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}
]
}