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{
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"results": [
{
"id": "jvasp-102067",
"created_at": "2022-09-04T14:37:06.496329Z",
"updated_at": "2022-09-04T14:37:06.496356Z",
"structure_string": "K1 Au1 Br3\n1.0\n5.356746 0.000000 0.000000\n0.000000 5.356746 0.000000\n-0.000000 -0.000000 5.356746\nK Au Br\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n0.000000 0.500000 0.000000 Br\n",
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"density_atomic": 0.032528710126495525,
"volume": 153.71036787368226,
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"formula_full": "K1 Au1 Br3",
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{
"id": "jvasp-59035",
"created_at": "2022-09-04T14:38:20.069985Z",
"updated_at": "2022-09-04T14:38:20.070003Z",
"structure_string": "K4 Au4 Br16\n1.0\n0.000000 9.008381 0.088585\n6.634141 0.000000 0.000000\n0.000000 -1.778078 -12.749240\nK Au Br\n4 4 16\ndirect\n0.203796 0.557674 0.181318 K\n0.203796 0.942325 0.681318 K\n0.796204 0.442325 0.818683 K\n0.796204 0.057675 0.318683 K\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n-0.000000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.493954 0.340413 0.325796 Br\n0.506045 0.840413 0.174205 Br\n0.096561 0.442578 0.688232 Br\n0.903439 0.942578 0.811768 Br\n0.903439 0.557422 0.311768 Br\n0.096561 0.057422 0.188232 Br\n0.856869 0.798190 0.544656 Br\n0.333767 0.726417 0.921344 Br\n0.143130 0.201810 0.455344 Br\n0.856870 0.701810 0.044656 Br\n0.493954 0.159587 0.825796 Br\n0.333767 0.773582 0.421344 Br\n0.666232 0.273582 0.078657 Br\n0.666232 0.226417 0.578657 Br\n0.143130 0.298190 0.955344 Br\n0.506045 0.659587 0.674205 Br\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.850816159433084,
"density_atomic": 0.0315421667573196,
"volume": 760.8862189034816,
"volume_molar": 19.092349635753912,
"formula_full": "K4 Au4 Br16",
"formula_reduced": "KAuBr4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 14
},
{
"id": "jvasp-102365",
"created_at": "2022-09-04T14:36:59.545411Z",
"updated_at": "2022-09-04T14:36:59.545442Z",
"structure_string": "K2 Na1 Au1 Br6\n1.0\n6.658800 -0.000000 3.844460\n2.219600 6.277977 3.844460\n-0.000000 -0.000000 7.688920\nK Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756801 0.243199 0.243199 Br\n0.243199 0.243199 0.756801 Br\n0.243199 0.756801 0.756801 Br\n0.243199 0.756801 0.243199 Br\n0.756801 0.243199 0.756801 Br\n0.756801 0.756801 0.243199 Br\n",
"nsites": 10,
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"elements": [
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"Na",
"Au",
"Br"
],
"chemical_system": "Au-Br-K-Na",
"density": 4.01708883231675,
"density_atomic": 0.031111357874768118,
"volume": 321.4260219773366,
"volume_molar": 19.35672748274375,
"formula_full": "K2 Na1 Au1 Br6",
"formula_reduced": "K2NaAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103204",
"created_at": "2022-09-04T14:36:38.196243Z",
"updated_at": "2022-09-04T14:36:38.196265Z",
"structure_string": "K1 Rb2 Au1 Br6\n1.0\n6.931496 -0.000000 4.001901\n2.310499 6.535077 4.001901\n0.000000 0.000000 8.003802\nK Rb Au Br\n1 2 1 6\ndirect\n0.500000 0.500000 0.499999 K\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Au\n0.766768 0.233232 0.233232 Br\n0.233232 0.233232 0.766767 Br\n0.233232 0.766768 0.766767 Br\n0.233232 0.766768 0.233232 Br\n0.766768 0.233232 0.766767 Br\n0.766768 0.766768 0.233232 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Br"
],
"chemical_system": "Au-Br-K-Rb",
"density": 4.059913783019125,
"density_atomic": 0.02758201419105281,
"volume": 362.5551031455799,
"volume_molar": 21.833578643990005,
"formula_full": "K1 Rb2 Au1 Br6",
"formula_reduced": "KRb2AuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-101486",
"created_at": "2022-09-04T14:36:37.459095Z",
"updated_at": "2022-09-04T14:36:37.459122Z",
"structure_string": "K2 Rb1 Au1 Br6\n1.0\n7.049783 -0.000000 4.070194\n2.349928 6.646599 4.070194\n-0.000000 -0.000000 8.140389\nK Rb Au Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.770365 0.229635 0.229634 Br\n0.229635 0.229635 0.770365 Br\n0.229635 0.770365 0.770365 Br\n0.229635 0.770365 0.229634 Br\n0.770365 0.229635 0.770365 Br\n0.770365 0.770365 0.229634 Br\n",
"nsites": 10,
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"elements": [
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"density_atomic": 0.026216795969915167,
"volume": 381.43486379782655,
"volume_molar": 22.970544405619403,
"formula_full": "K2 Rb1 Au1 Br6",
"formula_reduced": "K2RbAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107815",
"created_at": "2022-09-04T14:36:43.562478Z",
"updated_at": "2022-09-04T14:36:43.562489Z",
"structure_string": "K2 Y1 Au1 Br6\n1.0\n6.831081 -0.000000 3.943927\n2.277027 6.440405 3.943927\n-0.000000 -0.000000 7.887853\nK Y Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Au\n0.751865 0.248135 0.248135 Br\n0.248135 0.248135 0.751865 Br\n0.248135 0.751866 0.751865 Br\n0.248135 0.751866 0.248135 Br\n0.751865 0.248135 0.751865 Br\n0.751865 0.751866 0.248135 Br\n",
"nsites": 10,
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"elements": [
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"Y",
"Au",
"Br"
],
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"density": 4.03616737981988,
"density_atomic": 0.028816323968409115,
"volume": 347.0255266064764,
"volume_molar": 20.89836568537326,
"formula_full": "K2 Y1 Au1 Br6",
"formula_reduced": "K2YAuBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108581",
"created_at": "2022-09-04T14:38:27.806308Z",
"updated_at": "2022-09-04T14:38:27.806329Z",
"structure_string": "Na3 Au1 Br6\n1.0\n6.628303 -0.000000 3.826852\n2.209434 6.249224 3.826852\n-0.000000 -0.000000 7.653705\nNa Au Br\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.756469 0.243531 0.243531 Br\n0.243531 0.243531 0.756469 Br\n0.243531 0.756469 0.756469 Br\n0.243531 0.756469 0.243531 Br\n0.756469 0.243531 0.756469 Br\n0.756468 0.756469 0.243531 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"chemical_system": "Au-Br-Na",
"density": 3.904046160757343,
"density_atomic": 0.031542770482117,
"volume": 317.02985651401315,
"volume_molar": 19.091984210499902,
"formula_full": "Na3 Au1 Br6",
"formula_reduced": "Na3AuBr6",
"formula_anonymous": "AB3C6",
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"spacegroup": 225
},
{
"id": "jvasp-108603",
"created_at": "2022-09-04T14:38:03.167260Z",
"updated_at": "2022-09-04T14:38:03.167286Z",
"structure_string": "Rb2 Na1 Au1 Br6\n1.0\n6.689749 -0.000000 3.862328\n2.229916 6.307155 3.862328\n-0.000000 -0.000000 7.724656\nRb Na Au Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757235 0.242765 0.242765 Br\n0.242765 0.242765 0.757235 Br\n0.242765 0.757235 0.757235 Br\n0.242765 0.757235 0.242765 Br\n0.757235 0.242765 0.757235 Br\n0.757235 0.757235 0.242765 Br\n",
"nsites": 10,
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"elements": [
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"formula_full": "Rb2 Na1 Au1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-36820",
"created_at": "2022-09-04T14:38:02.450870Z",
"updated_at": "2022-09-04T14:38:02.450895Z",
"structure_string": "Au2 Br2 O4\n1.0\n-2.179247 2.985111 -0.044083\n3.434401 2.665063 -0.982431\n-3.374354 -2.681929 -8.962433\nAu Br O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Au\n0.500000 -0.000000 0.500000 Au\n0.249999 0.356760 0.713520 Br\n0.750000 0.643239 0.286480 Br\n0.255285 0.894528 0.066935 O\n0.755284 0.827592 0.933064 O\n0.744714 0.105471 0.933064 O\n0.244715 0.172406 0.066935 O\n",
"nsites": 8,
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"O"
],
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"density": 6.427868134516859,
"density_atomic": 0.050130612603616675,
"volume": 159.58312864149678,
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"formula_full": "Au2 Br2 O4",
"formula_reduced": "AuBrO2",
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"spacegroup": 15
},
{
"id": "jvasp-30512",
"created_at": "2022-09-04T14:37:08.641094Z",
"updated_at": "2022-09-04T14:37:08.641115Z",
"structure_string": "Au2 Br2 O4\n1.0\n-0.000000 0.000000 3.924814\n6.514760 0.105700 0.000000\n-2.381228 6.064901 -0.000000\nAu Br O\n2 2 4\ndirect\n0.499999 0.262477 0.262477 Au\n0.000000 0.737523 0.737523 Au\n0.250000 0.355626 0.644373 Br\n0.749999 0.644373 0.355627 Br\n0.710236 0.020257 0.804552 O\n0.789763 0.195447 0.979743 O\n0.289763 0.804552 0.020257 O\n0.210236 0.979743 0.195448 O\n",
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"formula_full": "Au2 Br2 O4",
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"spacegroup": 20
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{
"id": "jvasp-13132",
"created_at": "2022-09-04T14:37:07.991231Z",
"updated_at": "2022-09-04T14:37:07.991260Z",
"structure_string": "Rb2 Au2 Br8\n1.0\n0.000000 7.450859 0.023823\n6.081668 0.000000 0.000000\n0.000000 -5.616550 -8.763958\nRb Au Br\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.000000 0.500000 0.500000 Au\n0.609321 0.989747 0.877193 Br\n0.390680 0.489746 0.622807 Br\n0.390680 0.010254 0.122807 Br\n0.609321 0.510254 0.377193 Br\n0.959510 0.307399 0.828930 Br\n0.040491 0.807399 0.671071 Br\n0.040491 0.692601 0.171071 Br\n0.959509 0.192601 0.328930 Br\n",
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"formula_full": "Rb2 Au2 Br8",
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{
"id": "jvasp-77247",
"created_at": "2022-09-04T14:38:03.802874Z",
"updated_at": "2022-09-04T14:38:03.802900Z",
"structure_string": "Rb2 Au1 Br1\n1.0\n-11.047402 0.000025 -6.378240\n-9.833753 0.067703 4.276124\n-6.992303 8.104574 -0.645441\nRb Au Br\n2 1 1\ndirect\n0.751764 -0.000000 0.000000 Rb\n0.248236 -0.000000 0.000000 Rb\n0.500000 -0.000000 0.000000 Au\n0.000000 0.000000 0.000000 Br\n",
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}
]
}