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"results": [
{
"id": "mp-1093890",
"created_at": "2022-09-04T14:39:08.056701Z",
"structure_string": "Li2 Tl1 Cd1\n1.0\n-5.758943 5.879143 8.366931\n5.758943 -5.879143 8.366931\n5.758943 5.879143 -8.366931\nLi Tl Cd\n2 1 1\ndirect\n0.000000 0.251342 0.251342 Li\n0.000000 0.748658 0.748658 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
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{
"id": "mp-1096439",
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"elements": [
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"chemical_system": "Li-Ru-Zn",
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"volume": 818.8067961065458,
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"updated_at": "2021-11-28T01:35:09.901000Z",
"spacegroup": 71
},
{
"id": "mp-1093645",
"created_at": "2022-09-04T14:43:34.349379Z",
"structure_string": "Ti2 Al1 W1\n1.0\n-4.912853 6.069733 8.823233\n4.912853 -6.069733 8.823233\n4.912853 6.069733 -8.823233\nTi Al W\n2 1 1\ndirect\n0.000000 0.275623 0.275623 Ti\n0.000000 0.724377 0.724377 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
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"elements": [
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"W"
],
"chemical_system": "Al-Ti-W",
"density": 0.48369006617432114,
"density_atomic": 0.003800746418772544,
"volume": 1052.4248553503355,
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"formula_full": "Ti2 Al1 W1",
"formula_reduced": "Ti2AlW",
"formula_anonymous": "ABC2",
"energy": -18.12276124,
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"energy_uncorrected": -18.12276124,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:17.910000Z",
"spacegroup": 71
},
{
"id": "mp-1097120",
"created_at": "2022-09-04T14:39:42.480249Z",
"structure_string": "Li1 Si1 Ag2\n1.0\n-5.092427 5.473000 7.732831\n5.092427 -5.473000 7.732831\n5.092427 5.473000 -7.732831\nLi Si Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Si\n0.000000 0.263657 0.263657 Ag\n0.000000 0.736343 0.736343 Ag\n",
"nsites": 4,
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"elements": [
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"Si",
"Ag"
],
"chemical_system": "Ag-Li-Si",
"density": 0.4830183285505791,
"density_atomic": 0.004639927780699194,
"volume": 862.0823834023635,
"volume_molar": 129.789536489133,
"formula_full": "Li1 Si1 Ag2",
"formula_reduced": "LiSiAg2",
"formula_anonymous": "ABC2",
"energy": -6.89585839,
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"energy_uncorrected": -6.96685839,
"band_gap": 0.6611000000000002,
"is_gap_direct": true,
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"updated_at": "2021-11-28T01:34:33.124000Z",
"spacegroup": 71
},
{
"id": "mp-1096184",
"created_at": "2022-09-04T14:42:06.741053Z",
"structure_string": "Rb2 Hg1 Te1\n1.0\n-6.598444 7.097084 9.167750\n6.598444 -7.097084 9.167750\n6.598444 7.097084 -9.167750\nRb Hg Te\n2 1 1\ndirect\n0.776602 0.000000 0.776602 Rb\n0.223398 0.000000 0.223398 Rb\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-Rb-Te",
"density": 0.4826304389108661,
"density_atomic": 0.0023292481404970857,
"volume": 1717.2923444499816,
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"formula_full": "Rb2 Hg1 Te1",
"formula_reduced": "Rb2HgTe",
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"energy": -6.01741029,
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"energy_uncorrected": -5.59541029,
"band_gap": 0.2839999999999998,
"is_gap_direct": true,
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"total_magnetization": 1.46e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.498000Z",
"spacegroup": 71
},
{
"id": "mp-1096412",
"created_at": "2022-09-04T14:40:41.458869Z",
"structure_string": "Sc1 Zn2 Cd1\n1.0\n-5.508934 5.645449 7.975566\n5.508934 -5.645449 7.975566\n5.508934 5.645449 -7.975566\nSc Zn Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.250230 0.250230 Zn\n0.000000 0.749770 0.749770 Zn\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Sc-Zn",
"density": 0.48231722767821117,
"density_atomic": 0.004031553514578053,
"volume": 992.1733608486267,
"volume_molar": 149.37519093381758,
"formula_full": "Sc1 Zn2 Cd1",
"formula_reduced": "ScZn2Cd",
"formula_anonymous": "ABC2",
"energy": -4.13688763,
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"energy_uncorrected": -4.13688763,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.0140606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 71
},
{
"id": "mp-1095961",
"created_at": "2022-09-04T14:45:16.566674Z",
"structure_string": "Na1 In2 Ag1\n1.0\n-5.813494 6.148276 8.687164\n5.813494 -6.148276 8.687164\n5.813494 6.148276 -8.687164\nNa In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.267882 0.267882 In\n0.000000 0.732118 0.732118 In\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"In",
"Ag"
],
"chemical_system": "Ag-In-Na",
"density": 0.48196833458142996,
"density_atomic": 0.0032205600104902622,
"volume": 1242.0200173171388,
"volume_molar": 186.99048427553618,
"formula_full": "Na1 In2 Ag1",
"formula_reduced": "NaIn2Ag",
"formula_anonymous": "ABC2",
"energy": -5.58798962,
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"energy_uncorrected": -5.58798962,
"band_gap": 0.1055000000000001,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.901000Z",
"spacegroup": 71
},
{
"id": "mp-1095772",
"created_at": "2022-09-04T14:47:23.746633Z",
"structure_string": "Li2 Tl1 In1\n1.0\n-5.813652 5.937374 8.314122\n5.813652 -5.937374 8.314122\n5.813652 5.937374 -8.314122\nLi Tl In\n2 1 1\ndirect\n0.000000 0.249556 0.249556 Li\n0.000000 0.750444 0.750444 Li\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"Tl",
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"chemical_system": "In-Li-Tl",
"density": 0.4818170162353395,
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"volume": 1147.9416737990252,
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"formula_full": "Li2 Tl1 In1",
"formula_reduced": "Li2TlIn",
"formula_anonymous": "ABC2",
"energy": -4.86685479,
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"band_gap": 0.0665,
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"is_magnetic": false,
"total_magnetization": 3e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:09.679000Z",
"spacegroup": 71
},
{
"id": "mp-1095882",
"created_at": "2022-09-04T14:44:09.041908Z",
"structure_string": "Ti1 V2 Mo1\n1.0\n-5.273727 5.418619 7.408159\n5.273727 -5.418619 7.408159\n5.273727 5.418619 -7.408159\nTi V Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.769370 0.000000 0.769370 V\n0.230630 0.000000 0.230630 V\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"V",
"Mo"
],
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"density": 0.4817924961919868,
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"volume": 846.7916094533385,
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"formula_full": "Ti1 V2 Mo1",
"formula_reduced": "TiV2Mo",
"formula_anonymous": "ABC2",
"energy": -20.121391,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:32.431000Z",
"spacegroup": 71
},
{
"id": "mp-1095853",
"created_at": "2022-09-04T14:46:55.155685Z",
"structure_string": "Y2 Cd1 Ag1\n1.0\n-6.093447 6.307535 8.932529\n6.093447 -6.307535 8.932529\n6.093447 6.307535 -8.932529\nY Cd Ag\n2 1 1\ndirect\n0.000000 0.243526 0.243526 Y\n0.000000 0.756474 0.756474 Y\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"volume": 1373.273796290077,
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"formula_full": "Y2 Cd1 Ag1",
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"updated_at": "2021-11-28T01:37:49.589000Z",
"spacegroup": 71
},
{
"id": "mp-1096147",
"created_at": "2022-09-04T14:45:15.245209Z",
"structure_string": "V1 In1 Ru2\n1.0\n-4.760359 5.754990 11.586303\n4.760359 -5.754990 11.586303\n4.760359 5.754990 -11.586303\nV In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 In\n0.000000 0.212350 0.212350 Ru\n0.000000 0.787650 0.787650 Ru\n",
"nsites": 4,
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"volume": 1269.665013580656,
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"updated_at": "2021-11-28T01:37:00.703000Z",
"spacegroup": 71
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{
"id": "mp-1095972",
"created_at": "2022-09-04T14:47:22.444443Z",
"structure_string": "Sr2 Hg1 Ge1\n1.0\n-6.410819 6.531191 9.241228\n6.410819 -6.531191 9.241228\n6.410819 6.531191 -9.241228\nSr Hg Ge\n2 1 1\ndirect\n0.000000 0.224059 0.224059 Sr\n0.000000 0.775941 0.775941 Sr\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"density": 0.4811571208264284,
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"volume": 1547.7313396484974,
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"formula_full": "Sr2 Hg1 Ge1",
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"updated_at": "2021-11-28T01:38:06.774000Z",
"spacegroup": 71
}
]
}