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{
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"results": [
{
"id": "mp-1096598",
"created_at": "2022-09-04T14:40:07.438572Z",
"structure_string": "Li1 Ti2 Ir1\n1.0\n-5.290600 5.327086 7.555336\n5.290600 -5.327086 7.555336\n5.290600 5.327086 -7.555336\nLi Ti Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.291554 0.291554 Ti\n0.000000 0.708446 0.708446 Ti\n0.000000 0.500000 0.500000 Ir\n",
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"elements": [
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{
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"structure_string": "Al2 Co1 Rh1\n1.0\n-8.209821 0.005244 -4.731379\n-8.299550 0.072679 4.886098\n-5.540057 7.877701 0.106518\nAl Co Rh\n2 1 1\ndirect\n0.747581 0.999905 0.999905 Al\n0.252419 0.000095 0.000095 Al\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Rh\n",
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"elements": [
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"density": 0.5749709532508168,
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"updated_at": "2021-11-28T01:34:53.132000Z",
"spacegroup": 71
},
{
"id": "mp-1095923",
"created_at": "2022-09-04T14:41:12.281214Z",
"structure_string": "Sc1 Si1 Ru2\n1.0\n-4.492304 5.589542 7.906346\n4.492304 -5.589542 7.906346\n4.492304 5.589542 -7.906346\nSc Si Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Si\n0.000000 0.246334 0.246334 Ru\n0.000000 0.753666 0.753666 Ru\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ru-Sc-Si",
"density": 0.5754227431897072,
"density_atomic": 0.005037079695181263,
"volume": 794.1109218157917,
"volume_molar": 119.55619375570132,
"formula_full": "Sc1 Si1 Ru2",
"formula_reduced": "ScSiRu2",
"formula_anonymous": "ABC2",
"energy": -19.44167048,
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"energy_uncorrected": -19.44167048,
"band_gap": 0.0493999999999998,
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"updated_at": "2021-11-28T01:35:16.410000Z",
"spacegroup": 71
},
{
"id": "mp-1096475",
"created_at": "2022-09-04T14:45:30.133074Z",
"structure_string": "Ba2 Tl1 Pb1\n1.0\n-6.344516 7.375057 10.578048\n6.344516 -7.375057 10.578048\n6.344516 7.375057 -10.578048\nBa Tl Pb\n2 1 1\ndirect\n0.000000 0.254479 0.254479 Ba\n0.000000 0.745521 0.745521 Ba\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"Pb"
],
"chemical_system": "Ba-Pb-Tl",
"density": 0.5755645203096054,
"density_atomic": 0.0020203684987476736,
"volume": 1979.836847822267,
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"formula_full": "Ba2 Tl1 Pb1",
"formula_reduced": "Ba2TlPb",
"formula_anonymous": "ABC2",
"energy": -5.68837965,
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"updated_at": "2021-11-28T01:36:57.697000Z",
"spacegroup": 71
},
{
"id": "mp-1262938",
"created_at": "2022-09-04T14:46:04.881522Z",
"structure_string": "Al1 V2 W1\n1.0\n-8.533015 0.000000 -4.926538\n-9.168205 -0.137249 6.026721\n-5.835707 9.288479 0.254664\nAl V W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.724665 0.000000 0.000000 V\n0.275335 0.000000 0.000000 V\n0.500000 0.000000 0.000000 W\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Al-V-W",
"density": 0.5760242163951405,
"density_atomic": 0.004437286301029739,
"volume": 901.4518623852917,
"volume_molar": 135.71675009120943,
"formula_full": "Al1 V2 W1",
"formula_reduced": "AlV2W",
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"energy": -19.84787946,
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"energy_uncorrected": -19.84787946,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:14.025000Z",
"spacegroup": 71
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{
"id": "mp-1097341",
"created_at": "2022-09-04T14:40:36.829506Z",
"structure_string": "La1 Cd2 Ag1\n1.0\n-5.942965 6.377883 8.961954\n5.942965 -6.377883 8.961954\n5.942965 6.377883 -8.961954\nLa Cd Ag\n1 2 1\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.231785 0.231785 Cd\n0.000000 0.768215 0.768215 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-La",
"density": 0.5763369767867764,
"density_atomic": 0.0029438628226609864,
"volume": 1358.758964313548,
"volume_molar": 204.56594355020007,
"formula_full": "La1 Cd2 Ag1",
"formula_reduced": "LaCd2Ag",
"formula_anonymous": "ABC2",
"energy": -4.0535213,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.597000Z",
"spacegroup": 71
},
{
"id": "mp-1096180",
"created_at": "2022-09-04T14:43:20.218585Z",
"structure_string": "Li1 Zr1 Pd2\n1.0\n-4.981736 5.636816 7.966433\n4.981736 -5.636816 7.966433\n4.981736 5.636816 -7.966433\nLi Zr Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zr\n0.000000 0.264639 0.264639 Pd\n0.000000 0.735361 0.735361 Pd\n",
"nsites": 4,
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"elements": [
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"Zr",
"Pd"
],
"chemical_system": "Li-Pd-Zr",
"density": 0.577135782970445,
"density_atomic": 0.004470144112000671,
"volume": 894.8257371080032,
"volume_molar": 134.71916361337875,
"formula_full": "Li1 Zr1 Pd2",
"formula_reduced": "LiZrPd2",
"formula_anonymous": "ABC2",
"energy": -14.27820741,
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"band_gap": 0.4173999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.465000Z",
"spacegroup": 71
},
{
"id": "mp-1096587",
"created_at": "2022-09-04T14:41:51.955231Z",
"structure_string": "Sc2 Tl1 Pd1\n1.0\n-5.196454 6.268789 8.842698\n5.196454 -6.268789 8.842698\n5.196454 6.268789 -8.842698\nSc Tl Pd\n2 1 1\ndirect\n0.000000 0.229323 0.229323 Sc\n0.000000 0.770677 0.770677 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Tl",
"Pd"
],
"chemical_system": "Pd-Sc-Tl",
"density": 0.5774964352581726,
"density_atomic": 0.003471558336016071,
"volume": 1152.2203036318163,
"volume_molar": 173.47082137501843,
"formula_full": "Sc2 Tl1 Pd1",
"formula_reduced": "Sc2TlPd",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:30.375000Z",
"spacegroup": 71
},
{
"id": "mp-1093837",
"created_at": "2022-09-04T14:46:55.833673Z",
"structure_string": "Mn1 Zn2 Rh1\n1.0\n-5.039925 5.315937 7.740277\n5.039925 -5.315937 7.740277\n5.039925 5.315937 -7.740277\nMn Zn Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.260018 0.260018 Zn\n0.000000 0.739982 0.739982 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Zn",
"Rh"
],
"chemical_system": "Mn-Rh-Zn",
"density": 0.5778533506100929,
"density_atomic": 0.004822137589839609,
"volume": 829.5076458266395,
"volume_molar": 124.88529511660624,
"formula_full": "Mn1 Zn2 Rh1",
"formula_reduced": "MnZn2Rh",
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"energy": -11.00439923,
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"updated_at": "2021-11-28T01:37:45.355000Z",
"spacegroup": 71
},
{
"id": "mp-1096193",
"created_at": "2022-09-04T14:41:22.199812Z",
"structure_string": "Zr2 Cr1 Tc1\n1.0\n-5.214872 5.701060 8.032812\n5.214872 -5.701060 8.032812\n5.214872 5.701060 -8.032812\nZr Cr Tc\n2 1 1\ndirect\n0.000000 0.284536 0.284536 Zr\n0.000000 0.715464 0.715464 Zr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"Cr",
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],
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"density": 0.5778842635803584,
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"volume": 955.2715834317105,
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"formula_full": "Zr2 Cr1 Tc1",
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"updated_at": "2021-11-28T01:35:17.962000Z",
"spacegroup": 71
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{
"id": "mp-1095840",
"created_at": "2022-09-04T14:46:54.414606Z",
"structure_string": "Y2 Cu1 Pd1\n1.0\n-5.247631 5.789743 8.212342\n5.247631 -5.789743 8.212342\n5.247631 5.789743 -8.212342\nY Cu Pd\n2 1 1\ndirect\n0.000000 0.261026 0.261026 Y\n0.000000 0.738974 0.738974 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
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"volume": 998.0437830853396,
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"formula_full": "Y2 Cu1 Pd1",
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"updated_at": "2021-11-28T01:37:47.784000Z",
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{
"id": "mp-1095845",
"created_at": "2022-09-04T14:48:22.717411Z",
"structure_string": "Li1 Ti2 Os1\n1.0\n-5.249533 5.350918 7.480480\n5.249533 -5.350918 7.480480\n5.249533 5.350918 -7.480480\nLi Ti Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.292900 0.292900 Ti\n0.000000 0.707100 0.707100 Ti\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"elements": [
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"density": 0.5786786497903298,
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"volume": 840.5013654447093,
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"formula_full": "Li1 Ti2 Os1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:09.202000Z",
"spacegroup": 71
}
]
}