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{
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{
"id": "mp-1093920",
"created_at": "2022-09-04T14:48:07.719075Z",
"structure_string": "Tc2 Ge1 Sb1\n1.0\n-4.918383 5.552828 7.861002\n4.918383 -5.552828 7.861002\n4.918383 5.552828 -7.861002\nTc Ge Sb\n2 1 1\ndirect\n0.000000 0.240458 0.240458 Tc\n0.000000 0.759542 0.759542 Tc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Sb\n",
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{
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"updated_at": "2021-11-28T01:36:43.184000Z",
"spacegroup": 71
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{
"id": "mp-1093586",
"created_at": "2022-09-04T14:40:43.431216Z",
"structure_string": "Hf2 V1 Tc1\n1.0\n-5.030832 5.307872 8.039274\n5.030832 -5.307872 8.039274\n5.030832 5.307872 -8.039274\nHf V Tc\n2 1 1\ndirect\n0.000000 0.276188 0.276188 Hf\n0.000000 0.723812 0.723812 Hf\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hf-Tc-V",
"density": 0.9783520407315923,
"density_atomic": 0.004658251293257924,
"volume": 858.6913303259018,
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"formula_full": "Hf2 V1 Tc1",
"formula_reduced": "Hf2VTc",
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"energy": -24.13705111,
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"energy_uncorrected": -24.13705111,
"band_gap": 0.3003,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.594000Z",
"spacegroup": 71
},
{
"id": "mp-1097439",
"created_at": "2022-09-04T14:41:07.914299Z",
"structure_string": "Hf1 Ti1 Re2\n1.0\n-4.819950 5.617534 7.926995\n4.819950 -5.617534 7.926995\n4.819950 5.617534 -7.926995\nHf Ti Re\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245048 0.245048 Re\n0.000000 0.754952 0.754952 Re\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hf-Re-Ti",
"density": 1.1581186017616043,
"density_atomic": 0.004659112240902083,
"volume": 858.5326545439764,
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"formula_full": "Hf1 Ti1 Re2",
"formula_reduced": "HfTiRe2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:10.794000Z",
"spacegroup": 71
},
{
"id": "mp-1093731",
"created_at": "2022-09-04T14:45:26.952911Z",
"structure_string": "Ti2 Sn1 Mo1\n1.0\n-4.819744 5.610143 7.933917\n4.819744 -5.610143 7.933917\n4.819744 5.610143 -7.933917\nTi Sn Mo\n2 1 1\ndirect\n0.000000 0.221993 0.221993 Ti\n0.000000 0.778007 0.778007 Ti\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"density": 0.6006242687623344,
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"volume": 858.1151053213914,
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"formula_full": "Ti2 Sn1 Mo1",
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"energy": -18.22546714,
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"updated_at": "2021-11-28T01:37:11.078000Z",
"spacegroup": 71
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{
"id": "mp-1096675",
"created_at": "2022-09-04T14:44:18.136235Z",
"structure_string": "Sc1 Bi1 Ru2\n1.0\n-4.790131 5.553038 8.064277\n4.790131 -5.553038 8.064277\n4.790131 5.553038 -8.064277\nSc Bi Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Bi\n0.000000 0.230590 0.230590 Ru\n0.000000 0.769410 0.769410 Ru\n",
"nsites": 4,
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],
"chemical_system": "Bi-Ru-Sc",
"density": 0.8826390735416348,
"density_atomic": 0.004661831016543211,
"volume": 858.0319590747489,
"volume_molar": 129.17973085316743,
"formula_full": "Sc1 Bi1 Ru2",
"formula_reduced": "ScBiRu2",
"formula_anonymous": "ABC2",
"energy": -17.71612305,
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"energy_uncorrected": -17.71612305,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.306000Z",
"spacegroup": 71
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{
"id": "mp-1096357",
"created_at": "2022-09-04T14:46:58.364773Z",
"structure_string": "Ta1 Mn2 Ga1\n1.0\n-4.773255 6.280598 7.153424\n4.773255 -6.280598 7.153424\n4.773255 6.280598 -7.153424\nTa Mn Ga\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.262454 0.262454 Mn\n0.000000 0.737546 0.737546 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Mn",
"Ga"
],
"chemical_system": "Ga-Mn-Ta",
"density": 0.6979452503139996,
"density_atomic": 0.004663053517400908,
"volume": 857.8070110225798,
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"formula_full": "Ta1 Mn2 Ga1",
"formula_reduced": "TaMn2Ga",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.328000Z",
"spacegroup": 71
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{
"id": "mp-1097542",
"created_at": "2022-09-04T14:46:35.958384Z",
"structure_string": "Al1 Tc2 Sb1\n1.0\n-5.016398 5.503619 7.757993\n5.016398 -5.503619 7.757993\n5.016398 5.503619 -7.757993\nAl Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.247730 0.247730 Tc\n0.000000 0.752270 0.752270 Tc\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"Tc",
"Sb"
],
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"density": 0.6681792596930055,
"density_atomic": 0.004668853741867517,
"volume": 856.7413376286278,
"volume_molar": 128.98542325275702,
"formula_full": "Al1 Tc2 Sb1",
"formula_reduced": "AlTc2Sb",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:43.593000Z",
"spacegroup": 71
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{
"id": "mp-1095933",
"created_at": "2022-09-04T14:39:46.040917Z",
"structure_string": "Mg1 Si1 Pd2\n1.0\n-4.911328 5.552526 7.850278\n4.911328 -5.552526 7.850278\n4.911328 5.552526 -7.850278\nMg Si Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Si\n0.000000 0.279105 0.279105 Pd\n0.000000 0.720895 0.720895 Pd\n",
"nsites": 4,
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"elements": [
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"Si",
"Pd"
],
"chemical_system": "Mg-Pd-Si",
"density": 0.5143254248897261,
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"volume": 856.3170039635522,
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"formula_full": "Mg1 Si1 Pd2",
"formula_reduced": "MgSiPd2",
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"energy": -12.21924555,
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"updated_at": "2021-11-28T01:34:35.842000Z",
"spacegroup": 71
},
{
"id": "mp-1093773",
"created_at": "2022-09-04T14:45:59.780638Z",
"structure_string": "Sc2 Be1 Os1\n1.0\n-5.041607 5.541964 7.659369\n5.041607 -5.541964 7.659369\n5.041607 5.541964 -7.659369\nSc Be Os\n2 1 1\ndirect\n0.000000 0.277960 0.277960 Sc\n0.000000 0.722040 0.722040 Sc\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
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"volume": 856.0234721810264,
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"formula_full": "Sc2 Be1 Os1",
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"updated_at": "2021-11-28T01:37:16.047000Z",
"spacegroup": 71
},
{
"id": "mp-1096748",
"created_at": "2022-09-04T14:40:58.979366Z",
"structure_string": "Hf1 Al1 Tc2\n1.0\n-4.802919 5.613172 7.934831\n4.802919 -5.613172 7.934831\n4.802919 5.613172 -7.934831\nHf Al Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Al\n0.000000 0.257951 0.257951 Tc\n0.000000 0.742049 0.742049 Tc\n",
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"volume": 855.6798109567547,
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"updated_at": "2021-11-28T01:35:08.540000Z",
"spacegroup": 71
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{
"id": "mp-1096677",
"created_at": "2022-09-04T14:43:54.256414Z",
"structure_string": "Mg1 Sb1 Rh2\n1.0\n-5.057162 5.502620 7.686092\n5.057162 -5.502620 7.686092\n5.057162 5.502620 -7.686092\nMg Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Sb\n0.000000 0.264383 0.264383 Rh\n0.000000 0.735617 0.735617 Rh\n",
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"formula_full": "Mg1 Sb1 Rh2",
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"updated_at": "2021-11-28T01:36:22.509000Z",
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}
]
}