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{
"id": "mp-1097457",
"created_at": "2022-09-04T14:44:26.932198Z",
"structure_string": "Sr2 Li1 Al1\n1.0\n-6.373902 6.682265 9.005028\n6.373902 -6.682265 9.005028\n6.373902 6.682265 -9.005028\nSr Li Al\n2 1 1\ndirect\n0.269793 0.000000 0.269793 Sr\n0.730207 0.000000 0.730207 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Al\n",
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{
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"elements": [
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"updated_at": "2021-11-28T01:35:09.913000Z",
"spacegroup": 71
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{
"id": "mp-1093965",
"created_at": "2022-09-04T14:40:11.093926Z",
"structure_string": "Na2 Tl1 As1\n1.0\n-6.140253 6.611468 9.443766\n6.140253 -6.611468 9.443766\n6.140253 6.611468 -9.443766\nNa Tl As\n2 1 1\ndirect\n0.000000 0.234269 0.234269 Na\n0.000000 0.765731 0.765731 Na\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"chemical_system": "As-Na-Tl",
"density": 0.3522272968231147,
"density_atomic": 0.0026083785269363498,
"volume": 1533.5197551630545,
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"formula_full": "Na2 Tl1 As1",
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"formula_anonymous": "ABC2",
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"is_stable": null,
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"band_gap": 0.0161999999999999,
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"is_magnetic": true,
"total_magnetization": 1.9879089,
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"updated_at": "2021-11-28T01:34:55.346000Z",
"spacegroup": 71
},
{
"id": "mp-1097470",
"created_at": "2022-09-04T14:42:05.424395Z",
"structure_string": "Li1 La1 Tl2\n1.0\n-5.946364 6.769157 9.519408\n5.946364 -6.769157 9.519408\n5.946364 6.769157 -9.519408\nLi La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.233983 0.233983 Tl\n0.000000 0.766017 0.766017 Tl\n",
"nsites": 4,
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"elements": [
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"La",
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],
"chemical_system": "La-Li-Tl",
"density": 0.6008736889529516,
"density_atomic": 0.0026097804980366756,
"volume": 1532.6959501035353,
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"formula_full": "Li1 La1 Tl2",
"formula_reduced": "LiLaTl2",
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"band_gap": 0.0,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:35.110000Z",
"spacegroup": 71
},
{
"id": "mp-1096141",
"created_at": "2022-09-04T14:39:44.327040Z",
"structure_string": "Sr2 Li1 Ga1\n1.0\n-6.343284 6.716797 8.963921\n6.343284 -6.716797 8.963921\n6.343284 6.716797 -8.963921\nSr Li Ga\n2 1 1\ndirect\n0.265312 0.000000 0.265311 Sr\n0.734689 0.000000 0.734689 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
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"chemical_system": "Ga-Li-Sr",
"density": 0.2738102933860131,
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"volume": 1527.6870268828761,
"volume_molar": 229.9986578278646,
"formula_full": "Sr2 Li1 Ga1",
"formula_reduced": "Sr2LiGa",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:31.127000Z",
"spacegroup": 71
},
{
"id": "mp-1093835",
"created_at": "2022-09-04T14:41:55.981325Z",
"structure_string": "La2 Hg1 Pb1\n1.0\n-6.110293 6.635819 9.385778\n6.110293 -6.635819 9.385778\n6.110293 6.635819 -9.385778\nLa Hg Pb\n2 1 1\ndirect\n0.000000 0.255506 0.255506 La\n0.000000 0.744494 0.744494 La\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
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"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-La-Pb",
"density": 0.747883006436318,
"density_atomic": 0.0026276841092592027,
"volume": 1522.2529930082353,
"volume_molar": 229.1805449056722,
"formula_full": "La2 Hg1 Pb1",
"formula_reduced": "La2HgPb",
"formula_anonymous": "ABC2",
"energy": -7.63728,
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"energy_uncorrected": -7.63728,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.863000Z",
"spacegroup": 71
},
{
"id": "mp-1093631",
"created_at": "2022-09-04T14:41:17.762349Z",
"structure_string": "Ba1 Hg2 Bi1\n1.0\n-5.992811 6.744829 9.402999\n5.992811 -6.744829 9.402999\n5.992811 6.744829 -9.402999\nBa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.267672 0.267672 Hg\n0.000000 0.732328 0.732328 Hg\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"Hg",
"Bi"
],
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"density": 0.8164414921943298,
"density_atomic": 0.002631068076865408,
"volume": 1520.2951360975444,
"volume_molar": 228.88578265806922,
"formula_full": "Ba1 Hg2 Bi1",
"formula_reduced": "BaHg2Bi",
"formula_anonymous": "ABC2",
"energy": -3.4473748,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.913000Z",
"spacegroup": 71
},
{
"id": "mp-1096067",
"created_at": "2022-09-04T14:43:08.899773Z",
"structure_string": "Y1 Sc1 Cd2\n1.0\n-6.165934 6.463856 9.529692\n6.165934 -6.463856 9.529692\n6.165934 6.463856 -9.529692\nY Sc Cd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.241220 0.241220 Cd\n0.000000 0.758780 0.758780 Cd\n",
"nsites": 4,
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"elements": [
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"Sc",
"Cd"
],
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"density": 0.3920409323015227,
"density_atomic": 0.002632877123461514,
"volume": 1519.2505432008513,
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"formula_full": "Y1 Sc1 Cd2",
"formula_reduced": "YScCd2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -6.59413413,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:05.456000Z",
"spacegroup": 71
},
{
"id": "mp-1093838",
"created_at": "2022-09-04T14:46:32.080072Z",
"structure_string": "La2 Ga1 Ir1\n1.0\n-5.399111 7.282420 9.639912\n5.399111 -7.282420 9.639912\n5.399111 7.282420 -9.639912\nLa Ga Ir\n2 1 1\ndirect\n0.000000 0.271820 0.271820 La\n0.000000 0.728180 0.728180 La\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ir"
],
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"density": 0.5911687457648696,
"density_atomic": 0.002638329004958467,
"volume": 1516.1111417425245,
"volume_molar": 228.25586758444484,
"formula_full": "La2 Ga1 Ir1",
"formula_reduced": "La2GaIr",
"formula_anonymous": "ABC2",
"energy": -15.74211734,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.653000Z",
"spacegroup": 71
},
{
"id": "mp-1095746",
"created_at": "2022-09-04T14:45:08.019452Z",
"structure_string": "Li1 Y2 Pb1\n1.0\n-6.214910 6.566948 9.284118\n6.214910 -6.566948 9.284118\n6.214910 6.566948 -9.284118\nLi Y Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.272319 0.272319 Y\n0.000000 0.727681 0.727681 Y\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density": 0.42942141011654916,
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"volume": 1515.6504898828914,
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"formula_full": "Li1 Y2 Pb1",
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"updated_at": "2021-11-28T01:36:51.246000Z",
"spacegroup": 71
},
{
"id": "mp-1097247",
"created_at": "2022-09-04T14:45:57.024629Z",
"structure_string": "K1 Rb1 Au2\n1.0\n-6.301003 6.510713 9.215288\n6.301003 -6.510713 9.215288\n6.301003 6.510713 -9.215288\nK Rb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Rb\n0.000000 0.244555 0.244555 Au\n0.000000 0.755445 0.755445 Au\n",
"nsites": 4,
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"volume": 1512.1927159433346,
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"formula_full": "K1 Rb1 Au2",
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"updated_at": "2021-11-28T01:37:13.079000Z",
"spacegroup": 71
},
{
"id": "mp-1093907",
"created_at": "2022-09-04T14:42:55.836032Z",
"structure_string": "Y2 Ge1 Pd1\n1.0\n-5.125681 7.230895 10.195242\n5.125681 -7.230895 10.195242\n5.125681 7.230895 -10.195242\nY Ge Pd\n2 1 1\ndirect\n0.000000 0.249504 0.249504 Y\n0.000000 0.750496 0.750496 Y\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.3920667815868962,
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"volume": 1511.4756654858652,
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"formula_full": "Y2 Ge1 Pd1",
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"formula_anonymous": "ABC2",
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"band_gap": 0.0006999999999997,
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"updated_at": "2021-11-28T01:36:00.616000Z",
"spacegroup": 71
}
]
}