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{
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"results": [
{
"id": "mp-30745",
"created_at": "2022-09-04T14:42:22.213363Z",
"structure_string": "Ir6 W2\n1.0\n2.776267 -4.808636 0.000000\n2.776267 4.808636 0.000000\n0.000000 0.000000 4.434679\nIr W\n6 2\ndirect\n0.666940 0.833470 0.750000 Ir\n0.333060 0.166530 0.250000 Ir\n0.833470 0.166530 0.250000 Ir\n0.166530 0.333060 0.750000 Ir\n0.166530 0.833470 0.750000 Ir\n0.833470 0.666940 0.250000 Ir\n0.666667 0.333333 0.750000 W\n0.333333 0.666667 0.250000 W\n",
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],
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"spacegroup": 194
},
{
"id": "mp-9888",
"created_at": "2022-09-04T14:44:23.579011Z",
"structure_string": "Ir3 Se8\n1.0\n4.267654 -4.304177 0.000000\n4.267654 4.304177 0.000000\n-0.073359 0.000000 6.060811\nIr Se\n3 8\ndirect\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.617808 0.883980 0.121330 Se\n0.883980 0.121330 0.617808 Se\n0.121330 0.617808 0.883980 Se\n0.625238 0.625238 0.625238 Se\n0.374762 0.374762 0.374762 Se\n0.878670 0.382192 0.116020 Se\n0.116020 0.878670 0.382192 Se\n0.382192 0.116020 0.878670 Se\n",
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"formula_full": "Ir3 Se8",
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"formula_anonymous": "A3B8",
"energy": -61.49740107,
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"updated_at": "2021-11-28T01:36:37.243000Z",
"spacegroup": 148
},
{
"id": "mp-1361",
"created_at": "2022-09-04T14:39:12.546676Z",
"structure_string": "Ir8 Se16\n1.0\n3.806903 0.000000 0.000000\n0.000000 6.021498 0.000000\n0.000000 0.000000 21.262684\nIr Se\n8 16\ndirect\n0.250000 0.941382 0.805005 Ir\n0.750000 0.058618 0.194995 Ir\n0.750000 0.441382 0.694995 Ir\n0.250000 0.558618 0.305005 Ir\n0.250000 0.930444 0.576561 Ir\n0.750000 0.069556 0.423439 Ir\n0.750000 0.430444 0.923439 Ir\n0.250000 0.569556 0.076561 Ir\n0.250000 0.572535 0.861582 Se\n0.750000 0.427465 0.138418 Se\n0.750000 0.072535 0.638418 Se\n0.250000 0.927465 0.361582 Se\n0.250000 0.182738 0.261310 Se\n0.750000 0.817262 0.738690 Se\n0.750000 0.682738 0.238690 Se\n0.250000 0.317262 0.761310 Se\n0.250000 0.277324 0.990792 Se\n0.750000 0.722676 0.009208 Se\n0.750000 0.777324 0.509208 Se\n0.250000 0.222676 0.490792 Se\n0.250000 0.951935 0.122001 Se\n0.750000 0.048065 0.877999 Se\n0.750000 0.451935 0.377999 Se\n0.250000 0.548065 0.622001 Se\n",
"nsites": 24,
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"elements": [
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"density": 9.54295000044884,
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"volume": 487.4100081293755,
"volume_molar": 12.230215319949348,
"formula_full": "Ir8 Se16",
"formula_reduced": "IrSe2",
"formula_anonymous": "AB2",
"energy": -142.39939156,
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"updated_at": "2021-11-28T01:34:33.004000Z",
"spacegroup": 62
},
{
"id": "mp-685099",
"created_at": "2022-09-04T14:45:08.397207Z",
"structure_string": "Ir7 Se21\n1.0\n6.009590 0.000000 0.000000\n0.029568 6.057034 0.000000\n0.030922 0.624597 17.965554\nIr Se\n7 21\ndirect\n0.000079 0.517750 0.164082 Ir\n0.495220 0.502092 0.330096 Ir\n0.987268 0.491898 0.497491 Ir\n0.492708 0.510108 0.665456 Ir\n0.016972 0.516270 0.829823 Ir\n0.490448 0.529057 0.995295 Ir\n0.994794 0.002712 0.330576 Ir\n0.884490 0.125074 0.198347 Se\n0.612599 0.111389 0.371985 Se\n0.860463 0.111420 0.533991 Se\n0.382324 0.391655 0.202118 Se\n0.372740 0.394531 0.543351 Se\n0.117946 0.402495 0.039072 Se\n0.362780 0.353611 0.884412 Se\n0.116428 0.376134 0.370935 Se\n0.124494 0.380042 0.707740 Se\n0.874072 0.628968 0.290210 Se\n0.873306 0.614034 0.622963 Se\n0.616433 0.630274 0.120444 Se\n0.874472 0.629002 0.954795 Se\n0.607476 0.616538 0.457047 Se\n0.642530 0.505621 0.791120 Se\n0.122456 0.898101 0.125490 Se\n0.375355 0.892451 0.287687 Se\n0.104562 0.884184 0.462939 Se\n0.369668 0.885210 0.690009 Se\n0.196035 0.867449 0.815139 Se\n0.412182 0.895432 0.937453 Se\n",
"nsites": 28,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ir-Se",
"density": 7.627059714286827,
"density_atomic": 0.04281663791658623,
"volume": 653.9513927868076,
"volume_molar": 14.064954777000729,
"formula_full": "Ir7 Se21",
"formula_reduced": "IrSe3",
"formula_anonymous": "AB3",
"energy": -149.88624811,
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"updated_at": "2021-11-28T01:36:46.577000Z",
"spacegroup": 1
},
{
"id": "mp-1184749",
"created_at": "2022-09-04T14:40:23.951256Z",
"structure_string": "Ir2 Se2\n1.0\n1.901971 -3.294310 0.000000\n1.901971 3.294310 0.000000\n0.000000 0.000000 6.856805\nIr Se\n2 2\ndirect\n0.666667 0.333333 0.508504 Ir\n0.333333 0.666667 0.008504 Ir\n0.666667 0.333333 0.866498 Se\n0.333333 0.666667 0.366498 Se\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Se",
"density": 10.481218992875181,
"density_atomic": 0.046552160495390446,
"volume": 85.92512049781398,
"volume_molar": 12.936329261444927,
"formula_full": "Ir2 Se2",
"formula_reduced": "IrSe",
"formula_anonymous": "AB",
"energy": -24.53355253,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:46.811000Z",
"spacegroup": 186
},
{
"id": "mp-1184783",
"created_at": "2022-09-04T14:40:34.959443Z",
"structure_string": "Ir3 Se1\n1.0\n-2.014924 2.014924 3.786349\n2.014924 -2.014924 3.786349\n2.014924 2.014924 -3.786349\nIr Se\n3 1\ndirect\n0.750000 0.250000 0.500000 Ir\n0.250000 0.750000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ir-Se",
"density": 17.705058103376462,
"density_atomic": 0.06505220449282155,
"volume": 61.489076829692934,
"volume_molar": 9.257396896771635,
"formula_full": "Ir3 Se1",
"formula_reduced": "Ir3Se",
"formula_anonymous": "AB3",
"energy": -28.26628719,
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"updated_at": "2021-11-28T01:34:53.829000Z",
"spacegroup": 139
},
{
"id": "mp-1102261",
"created_at": "2022-09-04T14:43:45.465792Z",
"structure_string": "Ir4 S8\n1.0\n5.745747 0.000000 0.000000\n0.000000 5.745747 0.000000\n0.000000 0.000000 5.745747\nIr S\n4 8\ndirect\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.132588 0.867412 0.367412 S\n0.867412 0.367412 0.132588 S\n0.367412 0.132588 0.867412 S\n0.632588 0.632588 0.632588 S\n0.867412 0.132588 0.632588 S\n0.132588 0.632588 0.867412 S\n0.632588 0.867412 0.132588 S\n0.367412 0.367412 0.367412 S\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Ir-S",
"density": 8.976309762126093,
"density_atomic": 0.06326182975993429,
"volume": 189.68784250372693,
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"formula_full": "Ir4 S8",
"formula_reduced": "IrS2",
"formula_anonymous": "AB2",
"energy": -75.91587894,
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"updated_at": "2021-11-28T01:36:16.175000Z",
"spacegroup": 205
},
{
"id": "mp-861979",
"created_at": "2022-09-04T14:39:09.214029Z",
"structure_string": "Ir4 S6\n1.0\n5.578034 -3.013903 0.000000\n5.578034 3.013903 0.000000\n3.949573 0.000000 4.959733\nIr S\n4 6\ndirect\n0.851702 0.851702 0.851702 Ir\n0.648298 0.648298 0.648298 Ir\n0.351702 0.351702 0.351702 Ir\n0.148298 0.148298 0.148298 Ir\n0.546499 0.953501 0.250000 S\n0.953501 0.250000 0.546499 S\n0.250000 0.546499 0.953501 S\n0.750000 0.453501 0.046499 S\n0.046499 0.750000 0.453501 S\n0.453501 0.046499 0.750000 S\n",
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"volume": 166.76262437156467,
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"formula_full": "Ir4 S6",
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"energy": -66.84619305999999,
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"spacegroup": 167
},
{
"id": "mp-1101826",
"created_at": "2022-09-04T14:39:43.334588Z",
"structure_string": "Ir3 S8\n1.0\n4.062813 -4.024708 0.000000\n4.062813 4.024708 0.000000\n0.075852 0.000000 5.718302\nIr S\n3 8\ndirect\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.500000 0.500000 0.000000 Ir\n0.395067 0.888585 0.110455 S\n0.110455 0.395067 0.888585 S\n0.888585 0.110455 0.395067 S\n0.604933 0.111415 0.889545 S\n0.889545 0.604933 0.111415 S\n0.111415 0.889545 0.604933 S\n0.627289 0.627289 0.627289 S\n0.372711 0.372711 0.372711 S\n",
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"elements": [
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"volume": 187.00718549662946,
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"formula_full": "Ir3 S8",
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"energy": -67.18625401,
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},
{
"id": "mp-1188655",
"created_at": "2022-09-04T14:39:29.463208Z",
"structure_string": "Ir8 S12\n1.0\n6.066270 0.000000 0.000000\n0.000000 6.196189 0.000000\n0.000000 0.000000 8.555082\nIr S\n8 12\ndirect\n0.749184 0.530427 0.108283 Ir\n0.750816 0.030427 0.391717 Ir\n0.750816 0.469573 0.608283 Ir\n0.749184 0.969573 0.891717 Ir\n0.250816 0.469573 0.891717 Ir\n0.249184 0.969573 0.608283 Ir\n0.249184 0.530427 0.391717 Ir\n0.250816 0.030427 0.108283 Ir\n0.609786 0.892427 0.150131 S\n0.890214 0.392427 0.349869 S\n0.890214 0.107573 0.650131 S\n0.609786 0.607573 0.849869 S\n0.390214 0.107573 0.849869 S\n0.109786 0.607573 0.650131 S\n0.109786 0.892427 0.349869 S\n0.390214 0.392427 0.150131 S\n0.044787 0.750000 0.000000 S\n0.455213 0.250000 0.500000 S\n0.955213 0.250000 0.000000 S\n0.544787 0.750000 0.500000 S\n",
"nsites": 20,
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"density": 9.927696484528779,
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"volume": 321.5663300281782,
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"formula_full": "Ir8 S12",
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"updated_at": "2021-11-28T01:34:26.424000Z",
"spacegroup": 60
},
{
"id": "mp-2833",
"created_at": "2022-09-04T14:41:47.868540Z",
"structure_string": "Ir8 S16\n1.0\n3.612557 0.000000 0.000000\n0.000000 5.686064 0.000000\n0.000000 0.000000 20.041696\nIr S\n8 16\ndirect\n0.250000 0.941021 0.804023 Ir\n0.750000 0.058979 0.195977 Ir\n0.750000 0.441021 0.695977 Ir\n0.250000 0.558979 0.304023 Ir\n0.250000 0.927279 0.577434 Ir\n0.750000 0.072721 0.422566 Ir\n0.750000 0.427279 0.922566 Ir\n0.250000 0.572721 0.077434 Ir\n0.250000 0.221555 0.491016 S\n0.750000 0.778445 0.508984 S\n0.750000 0.721555 0.008984 S\n0.250000 0.278445 0.991016 S\n0.250000 0.179289 0.262922 S\n0.750000 0.820711 0.737078 S\n0.750000 0.679289 0.237078 S\n0.250000 0.320711 0.762922 S\n0.250000 0.935848 0.359377 S\n0.750000 0.064152 0.640623 S\n0.750000 0.435848 0.140623 S\n0.250000 0.564152 0.859377 S\n0.250000 0.546414 0.623466 S\n0.750000 0.453586 0.376534 S\n0.750000 0.046414 0.876534 S\n0.250000 0.953586 0.123466 S\n",
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"volume": 411.6810932517843,
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"formula_full": "Ir8 S16",
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},
{
"id": "mp-1223860",
"created_at": "2022-09-04T14:39:25.924186Z",
"structure_string": "Ir1 Ru1\n1.0\n4.523543 -1.358693 0.000000\n4.523543 1.358693 0.000000\n4.115445 0.000000 2.317670\nIr Ru\n1 1\ndirect\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Ru\n",
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"density": 17.094651631723746,
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"volume": 28.48929195621203,
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"formula_full": "Ir1 Ru1",
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"energy": -18.13029243,
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"updated_at": "2021-11-28T01:34:45.418000Z",
"spacegroup": 166
}
]
}