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{
"id": "mp-1097333",
"created_at": "2022-09-04T14:41:01.743389Z",
"structure_string": "Sc2 Ga1 Pd1\n1.0\n-5.037892 5.715714 7.720585\n5.037892 -5.715714 7.720585\n5.037892 5.715714 -7.720585\nSc Ga Pd\n2 1 1\ndirect\n0.000000 0.262255 0.262255 Sc\n0.000000 0.737745 0.737745 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
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{
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"spacegroup": 71
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{
"id": "mp-1093698",
"created_at": "2022-09-04T14:47:08.180505Z",
"structure_string": "Y2 Co1 Cu1\n1.0\n-5.048683 5.942101 8.373045\n5.048683 -5.942101 8.373045\n5.048683 5.942101 -8.373045\nY Co Cu\n2 1 1\ndirect\n0.000000 0.222760 0.222760 Y\n0.000000 0.777240 0.777240 Y\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Co-Cu-Y",
"density": 0.4962833590048149,
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"volume": 1004.758175836681,
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"formula_full": "Y2 Co1 Cu1",
"formula_reduced": "Y2CoCu",
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"updated_at": "2021-11-28T01:37:54.142000Z",
"spacegroup": 71
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{
"id": "mp-1097614",
"created_at": "2022-09-04T14:48:23.108207Z",
"structure_string": "Ti2 Mn1 Mo1\n1.0\n-4.851836 5.401343 7.872859\n4.851836 -5.401343 7.872859\n4.851836 5.401343 -7.872859\nTi Mn Mo\n2 1 1\ndirect\n0.000000 0.270230 0.270230 Ti\n0.000000 0.729770 0.729770 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"Mo"
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"chemical_system": "Mn-Mo-Ti",
"density": 0.4962071839820986,
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"volume": 825.2781262259814,
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"formula_full": "Ti2 Mn1 Mo1",
"formula_reduced": "Ti2MnMo",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:29.339000Z",
"spacegroup": 71
},
{
"id": "mp-1093987",
"created_at": "2022-09-04T14:39:48.744305Z",
"structure_string": "La2 Mg1 In1\n1.0\n-6.272669 6.413873 8.674547\n6.272669 -6.413873 8.674547\n6.272669 6.413873 -8.674547\nLa Mg In\n2 1 1\ndirect\n0.000000 0.262881 0.262881 La\n0.000000 0.737119 0.737119 La\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"density": 0.4959487776003232,
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"volume": 1395.9810505257492,
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"formula_full": "La2 Mg1 In1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:42.376000Z",
"spacegroup": 71
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{
"id": "mp-1093602",
"created_at": "2022-09-04T14:39:59.541302Z",
"structure_string": "Ba2 Zn1 Pb1\n1.0\n-6.276325 7.189133 10.167398\n6.276325 -7.189133 10.167398\n6.276325 7.189133 -10.167398\nBa Zn Pb\n2 1 1\ndirect\n0.000000 0.252126 0.252126 Ba\n0.000000 0.747874 0.747874 Ba\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
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"elements": [
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"density": 0.49521458440537564,
"density_atomic": 0.002179757765260707,
"volume": 1835.066292112319,
"volume_molar": 276.2756878757916,
"formula_full": "Ba2 Zn1 Pb1",
"formula_reduced": "Ba2ZnPb",
"formula_anonymous": "ABC2",
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"band_gap": 0.1117999999999999,
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"total_magnetization": 1.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.681000Z",
"spacegroup": 71
},
{
"id": "mp-1093986",
"created_at": "2022-09-04T14:45:54.352919Z",
"structure_string": "Zr2 Tl1 Tc1\n1.0\n-5.296662 7.270478 10.562975\n5.296662 -7.270478 10.562975\n5.296662 7.270478 -10.562975\nZr Tl Tc\n2 1 1\ndirect\n0.000000 0.211325 0.211325 Zr\n0.000000 0.788675 0.788675 Zr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"elements": [
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"Tl",
"Tc"
],
"chemical_system": "Tc-Tl-Zr",
"density": 0.4947983915758999,
"density_atomic": 0.0024583772235178742,
"volume": 1627.0895946050555,
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"formula_full": "Zr2 Tl1 Tc1",
"formula_reduced": "Zr2TlTc",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:11.975000Z",
"spacegroup": 71
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{
"id": "mp-1096077",
"created_at": "2022-09-04T14:42:05.417215Z",
"structure_string": "Na1 In2 Sn1\n1.0\n-5.835649 6.259854 8.532876\n5.835649 -6.259854 8.532876\n5.835649 6.259854 -8.532876\nNa In Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.265363 0.265363 In\n0.000000 0.734637 0.734637 In\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 0.4945464517829896,
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"volume": 1246.8344469812919,
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"formula_full": "Na1 In2 Sn1",
"formula_reduced": "NaIn2Sn",
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"energy_uncorrected": -7.11896862,
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"updated_at": "2021-11-28T01:35:39.480000Z",
"spacegroup": 71
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{
"id": "mp-1096053",
"created_at": "2022-09-04T14:46:13.045419Z",
"structure_string": "Na1 Sr1 Tl2\n1.0\n-6.439250 6.876289 9.855776\n6.439250 -6.876289 9.855776\n6.439250 6.876289 -9.855776\nNa Sr Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sr\n0.000000 0.243402 0.243402 Tl\n0.000000 0.756598 0.756598 Tl\n",
"nsites": 4,
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"elements": [
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"Sr",
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"chemical_system": "Na-Sr-Tl",
"density": 0.4940729303511832,
"density_atomic": 0.0022914995054037035,
"volume": 1745.581873601715,
"volume_molar": 262.80349377335136,
"formula_full": "Na1 Sr1 Tl2",
"formula_reduced": "NaSrTl2",
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"updated_at": "2021-11-28T01:37:26.988000Z",
"spacegroup": 71
},
{
"id": "mp-1097218",
"created_at": "2022-09-04T14:42:52.462496Z",
"structure_string": "Li1 Cd2 In1\n1.0\n-5.868143 5.922758 8.383652\n5.868143 -5.922758 8.383652\n5.868143 5.922758 -8.383652\nLi Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.237874 0.237874 Cd\n0.000000 0.762126 0.762126 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"volume": 1165.5151165860107,
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"formula_full": "Li1 Cd2 In1",
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"updated_at": "2021-11-28T01:35:52.570000Z",
"spacegroup": 71
},
{
"id": "mp-1093690",
"created_at": "2022-09-04T14:46:17.259747Z",
"structure_string": "Li1 La2 In1\n1.0\n-6.014945 6.230409 8.968845\n6.014945 -6.230409 8.968845\n6.014945 6.230409 -8.968845\nLi La In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.256678 0.256678 La\n0.000000 0.743322 0.743322 La\n0.000000 0.500000 0.500000 In\n",
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"volume": 1344.4502234330025,
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"updated_at": "2021-11-28T01:37:28.302000Z",
"spacegroup": 71
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{
"id": "mp-1093576",
"created_at": "2022-09-04T14:39:10.314738Z",
"structure_string": "Y2 Cd1 In1\n1.0\n-6.149746 6.205991 8.930231\n6.149746 -6.205991 8.930231\n6.149746 6.205991 -8.930231\nY Cd In\n2 1 1\ndirect\n0.742116 0.000000 0.742116 Y\n0.257884 0.000000 0.257884 Y\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
"nsites": 4,
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"density": 0.49335184642912117,
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"volume": 1363.2986493943113,
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"formula_full": "Y2 Cd1 In1",
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"band_gap": 0.1166,
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"updated_at": "2021-11-28T01:34:25.335000Z",
"spacegroup": 71
}
]
}