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{
"id": "mp-1096599",
"created_at": "2022-09-04T14:41:15.920361Z",
"structure_string": "Na1 Cd2 In1\n1.0\n-5.977618 6.294192 8.963605\n5.977618 -6.294192 8.963605\n5.977618 6.294192 -8.963605\nNa Cd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.252715 0.252715 Cd\n0.000000 0.747285 0.747285 Cd\n0.000000 0.500000 0.500000 In\n",
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{
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"elements": [
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"chemical_system": "Cr-Sc-Tl",
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"updated_at": "2021-11-28T01:37:39.718000Z",
"spacegroup": 71
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{
"id": "mp-1095821",
"created_at": "2022-09-04T14:40:41.050694Z",
"structure_string": "Ti2 Cr1 Co1\n1.0\n-4.946828 5.263248 7.399021\n4.946828 -5.263248 7.399021\n4.946828 5.263248 -7.399021\nTi Cr Co\n2 1 1\ndirect\n0.000000 0.292079 0.292079 Ti\n0.000000 0.707921 0.707921 Ti\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Co-Cr-Ti",
"density": 0.4453459951384875,
"density_atomic": 0.005190929082115075,
"volume": 770.5749658152095,
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"formula_full": "Ti2 Cr1 Co1",
"formula_reduced": "Ti2CrCo",
"formula_anonymous": "ABC2",
"energy": -19.8229506,
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"energy_uncorrected": -19.8229506,
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"updated_at": "2021-11-28T01:35:06.659000Z",
"spacegroup": 71
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{
"id": "mp-1095866",
"created_at": "2022-09-04T14:41:48.995358Z",
"structure_string": "Sr2 In1 Pb1\n1.0\n-6.573448 7.141582 9.877578\n6.573448 -7.141582 9.877578\n6.573448 7.141582 -9.877578\nSr In Pb\n2 1 1\ndirect\n0.000000 0.252360 0.252360 Sr\n0.000000 0.747640 0.747640 Sr\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"In",
"Pb"
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"chemical_system": "In-Pb-Sr",
"density": 0.44517704078360576,
"density_atomic": 0.002156561626878283,
"volume": 1854.8044025944087,
"volume_molar": 279.24732986728094,
"formula_full": "Sr2 In1 Pb1",
"formula_reduced": "Sr2InPb",
"formula_anonymous": "ABC2",
"energy": -5.13355405,
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"energy_uncorrected": -5.13355405,
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"updated_at": "2021-11-28T01:35:29.284000Z",
"spacegroup": 71
},
{
"id": "mp-1095945",
"created_at": "2022-09-04T14:47:13.632266Z",
"structure_string": "La1 Sn1 Hg2\n1.0\n-6.007849 9.398394 10.886611\n6.007849 -9.398394 10.886611\n6.007849 9.398394 -10.886611\nLa Sn Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sn\n0.000000 0.237699 0.237699 Hg\n0.000000 0.762301 0.762301 Hg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-La-Sn",
"density": 0.44491223517680123,
"density_atomic": 0.0016268017793181471,
"volume": 2458.812161907364,
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"formula_full": "La1 Sn1 Hg2",
"formula_reduced": "LaSnHg2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -4.46356986,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:00.152000Z",
"spacegroup": 71
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{
"id": "mp-1097615",
"created_at": "2022-09-04T14:42:43.651075Z",
"structure_string": "Ba2 Mg1 Hg1\n1.0\n-6.802746 7.104682 9.645393\n6.802746 -7.104682 9.645393\n6.802746 7.104682 -9.645393\nBa Mg Hg\n2 1 1\ndirect\n0.264218 0.000000 0.264218 Ba\n0.735782 0.000000 0.735782 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"Mg",
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"density": 0.4448548940688712,
"density_atomic": 0.0021451179289987002,
"volume": 1864.699346327837,
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"formula_full": "Ba2 Mg1 Hg1",
"formula_reduced": "Ba2MgHg",
"formula_anonymous": "ABC2",
"energy": -1.22113816,
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"energy_uncorrected": -1.22113816,
"band_gap": 0.0692999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.262000Z",
"spacegroup": 71
},
{
"id": "mp-1093621",
"created_at": "2022-09-04T14:42:44.077884Z",
"structure_string": "Ca2 P1 Au1\n1.0\n-5.398100 6.143239 8.676373\n5.398100 -6.143239 8.676373\n5.398100 6.143239 -8.676373\nCa P Au\n2 1 1\ndirect\n0.000000 0.230517 0.230517 Ca\n0.000000 0.769483 0.769483 Ca\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"P",
"Au"
],
"chemical_system": "Au-Ca-P",
"density": 0.44452795861036415,
"density_atomic": 0.003475549261808229,
"volume": 1150.897224779635,
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"formula_full": "Ca2 P1 Au1",
"formula_reduced": "Ca2PAu",
"formula_anonymous": "ABC2",
"energy": -10.59055888,
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"energy_uncorrected": -10.59055888,
"band_gap": 0.6576999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.718000Z",
"spacegroup": 71
},
{
"id": "mp-1096697",
"created_at": "2022-09-04T14:45:16.518143Z",
"structure_string": "Y1 Al1 Cu2\n1.0\n-5.243886 5.501022 7.867669\n5.243886 -5.501022 7.867669\n5.243886 5.501022 -7.867669\nY Al Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Al\n0.000000 0.232600 0.232600 Cu\n0.000000 0.767400 0.767400 Cu\n",
"nsites": 4,
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"elements": [
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"Al",
"Cu"
],
"chemical_system": "Al-Cu-Y",
"density": 0.4444427611753075,
"density_atomic": 0.004406129892592388,
"volume": 907.8261643454553,
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"formula_full": "Y1 Al1 Cu2",
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"formula_anonymous": "ABC2",
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"band_gap": 0.2416999999999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.614000Z",
"spacegroup": 71
},
{
"id": "mp-1095743",
"created_at": "2022-09-04T14:41:04.459184Z",
"structure_string": "Sc2 Cu1 Ag1\n1.0\n-5.177162 5.773004 8.168930\n5.177162 -5.773004 8.168930\n5.177162 5.773004 -8.168930\nSc Cu Ag\n2 1 1\ndirect\n0.000000 0.238419 0.238419 Sc\n0.000000 0.761581 0.761581 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Cu",
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],
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"density": 0.4443375122353699,
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"volume": 976.6046305390164,
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"formula_full": "Sc2 Cu1 Ag1",
"formula_reduced": "Sc2CuAg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:11.199000Z",
"spacegroup": 71
},
{
"id": "mp-1097509",
"created_at": "2022-09-04T14:39:41.322971Z",
"structure_string": "Zr1 Sc1 Cd2\n1.0\n-5.984689 6.123115 9.205433\n5.984689 -6.123115 9.205433\n5.984689 6.123115 -9.205433\nZr Sc Cd\n1 1 2\ndirect\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Sc\n0.251314 0.000000 0.251314 Cd\n0.748686 0.000000 0.748686 Cd\n",
"nsites": 4,
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"elements": [
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"density": 0.44426324440108583,
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"volume": 1349.330122507497,
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"formula_full": "Zr1 Sc1 Cd2",
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"updated_at": "2021-11-28T01:34:24.720000Z",
"spacegroup": 71
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{
"id": "mp-1093913",
"created_at": "2022-09-04T14:39:34.381671Z",
"structure_string": "La1 Zn1 Ag2\n1.0\n-5.878273 6.959780 9.601569\n5.878273 -6.959780 9.601569\n5.878273 6.959780 -9.601569\nLa Zn Ag\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Zn\n0.000000 0.234464 0.234464 Ag\n0.000000 0.765536 0.765536 Ag\n",
"nsites": 4,
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"density": 0.44391878581184147,
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"volume": 1571.257855913229,
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"formula_full": "La1 Zn1 Ag2",
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"updated_at": "2021-11-28T01:34:28.421000Z",
"spacegroup": 71
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{
"id": "mp-1093851",
"created_at": "2022-09-04T14:39:12.659738Z",
"structure_string": "Zr1 Be2 Pt1\n1.0\n-4.597053 6.902608 8.976811\n4.597053 -6.902608 8.976811\n4.597053 6.902608 -8.976811\nZr Be Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.276321 0.276321 Be\n0.000000 0.723679 0.723679 Be\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 0.44352943054054406,
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"volume": 1139.3962719381157,
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"formula_full": "Zr1 Be2 Pt1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:32.449000Z",
"spacegroup": 71
}
]
}