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{
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{
"id": "mp-1096218",
"created_at": "2022-09-04T14:44:45.898244Z",
"structure_string": "Y2 Tl1 Cu1\n1.0\n-5.830877 5.846635 10.105070\n5.830877 -5.846635 10.105070\n5.830877 5.846635 -10.105070\nY Tl Cu\n2 1 1\ndirect\n0.000000 0.240279 0.240279 Y\n0.000000 0.759721 0.759721 Y\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cu\n",
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{
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"chemical_system": "Ga-Mn-Ti",
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"updated_at": "2021-11-28T01:34:30.276000Z",
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{
"id": "mp-1093723",
"created_at": "2022-09-04T14:48:20.219905Z",
"structure_string": "La2 Ag1 Hg1\n1.0\n-6.148755 6.256911 8.953198\n6.148755 -6.256911 8.953198\n6.148755 6.256911 -8.953198\nLa Ag Hg\n2 1 1\ndirect\n0.000000 0.250190 0.250190 La\n0.000000 0.749810 0.749810 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"chemical_system": "Ag-Hg-La",
"density": 0.7065790968725209,
"density_atomic": 0.002903184555073442,
"volume": 1377.797354635903,
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"formula_full": "La2 Ag1 Hg1",
"formula_reduced": "La2AgHg",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.315000Z",
"spacegroup": 71
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{
"id": "mp-1096220",
"created_at": "2022-09-04T14:45:03.837844Z",
"structure_string": "Na1 Ca2 Rh1\n1.0\n-6.012126 6.394009 8.957813\n6.012126 -6.394009 8.957813\n6.012126 6.394009 -8.957813\nNa Ca Rh\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.303216 0.303216 Ca\n0.000000 0.696784 0.696784 Ca\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Ca",
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"chemical_system": "Ca-Na-Rh",
"density": 0.24840543352669672,
"density_atomic": 0.0029040005276177215,
"volume": 1377.410218062658,
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"formula_full": "Na1 Ca2 Rh1",
"formula_reduced": "NaCa2Rh",
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"energy_uncorrected": -7.75716412,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.490000Z",
"spacegroup": 71
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{
"id": "mp-1096041",
"created_at": "2022-09-04T14:47:01.207030Z",
"structure_string": "Y1 Cd2 Ag1\n1.0\n-6.037173 6.354821 8.972139\n6.037173 -6.354821 8.972139\n6.037173 6.354821 -8.972139\nY Cd Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.271530 0.271530 Cd\n0.000000 0.728470 0.728470 Cd\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"density": 0.5084552114643599,
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"volume": 1376.8699692014436,
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"formula_full": "Y1 Cd2 Ag1",
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"energy_uncorrected": -5.46335717,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.404000Z",
"spacegroup": 71
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{
"id": "mp-1095958",
"created_at": "2022-09-04T14:47:06.586669Z",
"structure_string": "Ca1 Sn1 Hg2\n1.0\n-5.966625 6.393292 9.022291\n5.966625 -6.393292 9.022291\n5.966625 6.393292 -9.022291\nCa Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.000000 0.259646 0.259646 Hg\n0.000000 0.740354 0.740354 Hg\n",
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"Sn",
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"density": 0.6754328847773211,
"density_atomic": 0.002905560251634056,
"volume": 1376.6708151209195,
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"formula_full": "Ca1 Sn1 Hg2",
"formula_reduced": "CaSnHg2",
"formula_anonymous": "ABC2",
"energy": -2.96923094,
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"energy_uncorrected": -2.96923094,
"band_gap": 0.0926,
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"total_magnetization": 1.51e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.943000Z",
"spacegroup": 71
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{
"id": "mp-1095818",
"created_at": "2022-09-04T14:41:59.710997Z",
"structure_string": "Y1 Sc1 Pd2\n1.0\n-5.048601 6.859791 9.932683\n5.048601 -6.859791 9.932683\n5.048601 6.859791 -9.932683\nY Sc Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.248129 0.248129 Pd\n0.000000 0.751871 0.751871 Pd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Pd"
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"chemical_system": "Pd-Sc-Y",
"density": 0.4184047888889833,
"density_atomic": 0.0029070432404878213,
"volume": 1375.9685250945126,
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"formula_full": "Y1 Sc1 Pd2",
"formula_reduced": "YScPd2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.852000Z",
"spacegroup": 71
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{
"id": "mp-1093850",
"created_at": "2022-09-04T14:48:07.497782Z",
"structure_string": "Na1 Sc1 In2\n1.0\n-6.028607 6.295542 9.062646\n6.028607 -6.295542 9.062646\n6.028607 6.295542 -9.062646\nNa Sc In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sc\n0.000000 0.257637 0.257637 In\n0.000000 0.742363 0.742363 In\n",
"nsites": 4,
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"density": 0.35916183685480496,
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"volume": 1375.8310504178476,
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"formula_full": "Na1 Sc1 In2",
"formula_reduced": "NaScIn2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:30.453000Z",
"spacegroup": 71
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{
"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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"elements": [
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"density": 0.48136467272133193,
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"volume": 1373.273796290077,
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"formula_full": "Y2 Cd1 Ag1",
"formula_reduced": "Y2CdAg",
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"updated_at": "2021-11-28T01:37:49.589000Z",
"spacegroup": 71
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{
"id": "mp-1093783",
"created_at": "2022-09-04T14:47:20.745711Z",
"structure_string": "Na1 Tl2 Au1\n1.0\n-5.804320 6.469479 9.139282\n5.804320 -6.469479 9.139282\n5.804320 6.469479 -9.139282\nNa Tl Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.266472 0.266472 Tl\n0.000000 0.733528 0.733528 Tl\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 1372.7540210692014,
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"formula_full": "Na1 Tl2 Au1",
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"updated_at": "2021-11-28T01:38:01.495000Z",
"spacegroup": 71
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{
"id": "mp-1096762",
"created_at": "2022-09-04T14:46:54.153108Z",
"structure_string": "Sr1 Li2 Si1\n1.0\n-6.105497 6.336943 8.868855\n6.105497 -6.336943 8.868855\n6.105497 6.336943 -8.868855\nSr Li Si\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.000000 0.200532 0.200532 Li\n0.000000 0.799468 0.799468 Li\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"volume": 1372.5506151027485,
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"formula_full": "Sr1 Li2 Si1",
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"updated_at": "2021-11-28T01:37:45.383000Z",
"spacegroup": 71
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{
"id": "mp-1096648",
"created_at": "2022-09-04T14:40:33.264213Z",
"structure_string": "La1 Hg2 Pb1\n1.0\n-6.086811 6.302004 8.944352\n6.086811 -6.302004 8.944352\n6.086811 6.302004 -8.944352\nLa Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.258627 0.258627 Hg\n0.000000 0.741373 0.741373 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.9041870248690226,
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"volume": 1372.3894312875086,
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"formula_full": "La1 Hg2 Pb1",
"formula_reduced": "LaHg2Pb",
"formula_anonymous": "ABC2",
"energy": -3.93725539,
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"updated_at": "2021-11-28T01:34:55.415000Z",
"spacegroup": 71
}
]
}