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{
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"results": [
{
"id": "mp-1111537",
"created_at": "2022-09-04T14:39:45.123304Z",
"structure_string": "Na2 Ga1 Ag1 Br6\n1.0\n0.000000 5.367022 5.367022\n5.367022 0.000000 5.367022\n5.367022 5.367022 0.000000\nNa Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.760163 0.239837 0.239837 Br\n0.239837 0.239837 0.760163 Br\n0.239837 0.760163 0.760163 Br\n0.239837 0.760163 0.239837 Br\n0.760163 0.239837 0.760163 Br\n0.760163 0.760163 0.239837 Br\n",
"nsites": 10,
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"chemical_system": "Ag-Br-Ga-Na",
"density": 3.775470227770617,
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"volume": 309.19333396053383,
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"formula_full": "Na2 Ga1 Ag1 Br6",
"formula_reduced": "Na2GaAgBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "mp-1112470",
"created_at": "2022-09-04T14:47:57.946579Z",
"structure_string": "K2 Ga1 Ag1 Br6\n1.0\n0.000000 5.410677 5.410677\n5.410677 0.000000 5.410677\n5.410677 5.410677 0.000000\nK Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.760820 0.239180 0.239180 Br\n0.239180 0.239180 0.760820 Br\n0.239180 0.760820 0.760820 Br\n0.239180 0.760820 0.239180 Br\n0.760820 0.239180 0.760820 Br\n0.760820 0.760820 0.239180 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Ga",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Ga-K",
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"volume": 316.79974390017986,
"volume_molar": 19.078126504988347,
"formula_full": "K2 Ga1 Ag1 Br6",
"formula_reduced": "K2GaAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.572084360000005,
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"updated_at": "2021-11-28T01:38:19.917000Z",
"spacegroup": 225
},
{
"id": "mp-1212706",
"created_at": "2022-09-04T14:44:23.897606Z",
"structure_string": "Fe4 Ag4 Br16\n1.0\n7.277200 0.000000 0.000000\n0.000000 7.694105 0.000000\n0.000000 0.724409 14.334732\nFe Ag Br\n4 4 16\ndirect\n0.175552 0.707951 0.600067 Fe\n0.824448 0.292049 0.399933 Fe\n0.675552 0.292049 0.899933 Fe\n0.324448 0.707951 0.100067 Fe\n0.485705 0.844403 0.865019 Ag\n0.514295 0.155597 0.134981 Ag\n0.985705 0.155597 0.634981 Ag\n0.014295 0.844403 0.365019 Ag\n0.186196 0.440164 0.686652 Br\n0.813804 0.559836 0.313348 Br\n0.686196 0.559836 0.813348 Br\n0.313804 0.440164 0.186652 Br\n0.320164 0.926391 0.687003 Br\n0.679836 0.073609 0.312997 Br\n0.820164 0.073609 0.812997 Br\n0.179836 0.926391 0.187003 Br\n0.179807 0.691749 0.954033 Br\n0.820193 0.308251 0.045967 Br\n0.679807 0.308251 0.545967 Br\n0.320193 0.691749 0.454033 Br\n0.870377 0.809495 0.572145 Br\n0.129623 0.190505 0.427855 Br\n0.370377 0.190505 0.927855 Br\n0.629623 0.809495 0.072145 Br\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Fe",
"density": 3.999817027458791,
"density_atomic": 0.02990193163821975,
"volume": 802.6237331545472,
"volume_molar": 20.139637909889007,
"formula_full": "Fe4 Ag4 Br16",
"formula_reduced": "FeAgBr4",
"formula_anonymous": "ABC4",
"energy": -90.98012281,
"energy_per_atom": -3.7908384504166666,
"energy_above_hull": null,
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"energy_uncorrected": -82.43612281,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:39.377000Z",
"spacegroup": 14
},
{
"id": "mp-1112323",
"created_at": "2022-09-04T14:40:08.041344Z",
"structure_string": "Cs2 Y1 Ag1 Br6\n1.0\n0.000000 5.702676 5.702676\n5.702676 0.000000 5.702676\n5.702676 5.702676 0.000000\nCs Y Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ag\n0.746122 0.253878 0.253878 Br\n0.253878 0.253878 0.746122 Br\n0.253878 0.746122 0.746122 Br\n0.253878 0.746122 0.253878 Br\n0.746122 0.253878 0.746122 Br\n0.746122 0.746122 0.253878 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Y",
"density": 4.21733441208544,
"density_atomic": 0.02696087056062031,
"volume": 370.9079043837048,
"volume_molar": 22.336596091952913,
"formula_full": "Cs2 Y1 Ag1 Br6",
"formula_reduced": "Cs2YAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.99396956,
"energy_per_atom": -3.9993969559999996,
"energy_above_hull": null,
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"energy_uncorrected": -36.78996956,
"band_gap": 3.335,
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"updated_at": "2021-11-28T01:34:48.899000Z",
"spacegroup": 225
},
{
"id": "mp-1113444",
"created_at": "2022-09-04T14:46:17.830474Z",
"structure_string": "Cs2 Tl1 Ag1 Br6\n1.0\n0.000000 5.661343 5.661343\n5.661343 0.000000 5.661343\n5.661343 5.661343 0.000000\nCs Tl Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ag\n0.748074 0.251926 0.251926 Br\n0.251926 0.251926 0.748074 Br\n0.251926 0.748074 0.748074 Br\n0.251926 0.748074 0.251926 Br\n0.748074 0.251926 0.748074 Br\n0.748074 0.748074 0.251926 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Tl",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Tl",
"density": 4.8387756906704125,
"density_atomic": 0.02755570967214504,
"volume": 362.90119612156457,
"volume_molar": 21.85442085016428,
"formula_full": "Cs2 Tl1 Ag1 Br6",
"formula_reduced": "Cs2TlAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -30.36877036,
"energy_per_atom": -3.036877036,
"energy_above_hull": null,
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"energy_uncorrected": -27.16477036,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.643000Z",
"spacegroup": 225
},
{
"id": "mp-1112334",
"created_at": "2022-09-04T14:45:31.679013Z",
"structure_string": "Cs2 Ta1 Ag1 Br6\n1.0\n0.000000 5.546797 5.546797\n5.546797 0.000000 5.546797\n5.546797 5.546797 0.000000\nCs Ta Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ag\n0.738956 0.261044 0.261044 Br\n0.261044 0.261044 0.738956 Br\n0.261044 0.738956 0.738956 Br\n0.261044 0.738956 0.261044 Br\n0.738956 0.261044 0.738956 Br\n0.738956 0.738956 0.261044 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ta",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Ta",
"density": 5.0307673999421425,
"density_atomic": 0.029298351723825753,
"volume": 341.31612912093914,
"volume_molar": 20.554537732246306,
"formula_full": "Cs2 Ta1 Ag1 Br6",
"formula_reduced": "Cs2TaAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.9091954,
"energy_per_atom": -3.99091954,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:00.994000Z",
"spacegroup": 225
},
{
"id": "mp-1113451",
"created_at": "2022-09-04T14:45:55.483814Z",
"structure_string": "Cs2 Sc1 Ag1 Br6\n1.0\n0.000000 5.582014 5.582014\n5.582014 0.000000 5.582014\n5.582014 5.582014 0.000000\nCs Sc Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Ag\n0.760054 0.239946 0.239946 Br\n0.239946 0.239946 0.760054 Br\n0.239946 0.760054 0.760054 Br\n0.239946 0.760054 0.239946 Br\n0.760054 0.239946 0.760054 Br\n0.760054 0.760054 0.239946 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Sc",
"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Sc",
"density": 4.286977605502238,
"density_atomic": 0.02874731184701276,
"volume": 347.85861207538045,
"volume_molar": 20.94853526496177,
"formula_full": "Cs2 Sc1 Ag1 Br6",
"formula_reduced": "Cs2ScAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -39.15614625,
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"updated_at": "2021-11-28T01:37:11.609000Z",
"spacegroup": 225
},
{
"id": "mp-1112943",
"created_at": "2022-09-04T14:43:18.814150Z",
"structure_string": "Cs2 Ag1 Sb1 Br6\n1.0\n0.000000 5.689253 5.689253\n5.689253 0.000000 5.689253\n5.689253 5.689253 0.000000\nCs Ag Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.751554 0.248446 0.248446 Br\n0.248446 0.248446 0.751554 Br\n0.248446 0.751554 0.751554 Br\n0.248446 0.751554 0.248446 Br\n0.751554 0.248446 0.751554 Br\n0.751554 0.751554 0.248446 Br\n",
"nsites": 10,
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"volume": 368.29492736939363,
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"formula_full": "Cs2 Ag1 Sb1 Br6",
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"updated_at": "2021-11-28T01:36:08.131000Z",
"spacegroup": 225
},
{
"id": "mp-1112944",
"created_at": "2022-09-04T14:40:14.018621Z",
"structure_string": "Cs2 Nd1 Ag1 Br6\n1.0\n0.000000 5.776443 5.776443\n5.776443 0.000000 5.776443\n5.776443 5.776443 0.000000\nCs Nd Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ag\n0.750070 0.249930 0.249930 Br\n0.249930 0.249930 0.750070 Br\n0.249930 0.750070 0.750070 Br\n0.249930 0.750070 0.249930 Br\n0.750070 0.249930 0.750070 Br\n0.750070 0.750070 0.249930 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ag",
"Br"
],
"chemical_system": "Ag-Br-Cs-Nd",
"density": 4.296186094379305,
"density_atomic": 0.025941108350431064,
"volume": 385.48854061718725,
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"formula_full": "Cs2 Nd1 Ag1 Br6",
"formula_reduced": "Cs2NdAgBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.2210278,
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"updated_at": "2021-11-28T01:34:50.619000Z",
"spacegroup": 225
},
{
"id": "mp-1113243",
"created_at": "2022-09-04T14:48:10.009385Z",
"structure_string": "Cs2 Ag1 Mo1 Br6\n1.0\n0.000000 5.527680 5.527680\n5.527680 0.000000 5.527680\n5.527680 5.527680 0.000000\nCs Ag Mo Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Mo\n0.761694 0.238306 0.238306 Br\n0.238306 0.238306 0.761694 Br\n0.238306 0.761694 0.761694 Br\n0.238306 0.761694 0.238306 Br\n0.761694 0.238306 0.761694 Br\n0.761694 0.761694 0.238306 Br\n",
"nsites": 10,
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"elements": [
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"Mo",
"Br"
],
"chemical_system": "Ag-Br-Cs-Mo",
"density": 4.665265439099171,
"density_atomic": 0.029603381610629236,
"volume": 337.7992464350577,
"volume_molar": 20.342746106538453,
"formula_full": "Cs2 Ag1 Mo1 Br6",
"formula_reduced": "Cs2AgMoBr6",
"formula_anonymous": "ABC2D6",
"energy": -38.63179109,
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"updated_at": "2021-11-28T01:38:27.660000Z",
"spacegroup": 225
},
{
"id": "mp-1113554",
"created_at": "2022-09-04T14:42:08.743945Z",
"structure_string": "Cs2 In1 Ag1 Br6\n1.0\n0.000000 5.611998 5.611998\n5.611998 0.000000 5.611998\n5.611998 5.611998 0.000000\nCs In Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.755995 0.244005 0.244005 Br\n0.244005 0.244005 0.755995 Br\n0.244005 0.755995 0.755995 Br\n0.244005 0.755995 0.244005 Br\n0.755995 0.244005 0.755995 Br\n0.755995 0.755995 0.244005 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ag-Br-Cs-In",
"density": 4.54680718945434,
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"volume": 353.49438392160664,
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"formula_full": "Cs2 In1 Ag1 Br6",
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"energy": -31.96848984,
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"updated_at": "2021-11-28T01:35:46.088000Z",
"spacegroup": 225
},
{
"id": "mp-1113553",
"created_at": "2022-09-04T14:42:59.006540Z",
"structure_string": "Cs2 Ga1 Ag1 Br6\n1.0\n0.000000 5.493831 5.493831\n5.493831 0.000000 5.493831\n5.493831 5.493831 0.000000\nCs Ga Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ag\n0.762591 0.237409 0.237409 Br\n0.237409 0.237409 0.762591 Br\n0.237409 0.762591 0.762591 Br\n0.237409 0.762591 0.237409 Br\n0.762591 0.237409 0.762591 Br\n0.762591 0.762591 0.237409 Br\n",
"nsites": 10,
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"elements": [
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"volume": 331.63158189697117,
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"formula_full": "Cs2 Ga1 Ag1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -31.76355929,
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"updated_at": "2021-11-28T01:36:16.430000Z",
"spacegroup": 225
}
]
}