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{
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"results": [
{
"id": "mp-1096478",
"created_at": "2022-09-04T14:47:30.326282Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-6.114135 6.224303 8.874188\n6.114135 -6.224303 8.874188\n6.114135 6.224303 -8.874188\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.258701 0.258701 Hg\n0.000000 0.741299 0.741299 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.597670902094675,
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"volume": 1350.8725165819108,
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"formula_full": "Ca1 Sc1 Hg2",
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{
"id": "mp-1095803",
"created_at": "2022-09-04T14:41:31.031824Z",
"structure_string": "Y2 In1 Pd1\n1.0\n-5.643129 6.513628 9.187108\n5.643129 -6.513628 9.187108\n5.643129 6.513628 -9.187108\nY In Pd\n2 1 1\ndirect\n0.000000 0.227922 0.227922 Y\n0.000000 0.772078 0.772078 Y\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "In-Pd-Y",
"density": 0.4905624959554835,
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"volume": 1350.7710471718196,
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"formula_full": "Y2 In1 Pd1",
"formula_reduced": "Y2InPd",
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"updated_at": "2021-11-28T01:35:20.838000Z",
"spacegroup": 71
},
{
"id": "mp-1096507",
"created_at": "2022-09-04T14:42:16.297035Z",
"structure_string": "Na1 Mg2 Hg1\n1.0\n-6.173545 6.218051 8.787708\n6.173545 -6.218051 8.787708\n6.173545 6.218051 -8.787708\nNa Mg Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.257820 0.257820 Mg\n0.000000 0.742180 0.742180 Mg\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
"Hg"
],
"chemical_system": "Hg-Mg-Na",
"density": 0.334962653317965,
"density_atomic": 0.0029643909889146363,
"volume": 1349.349669108438,
"volume_molar": 203.14934104576096,
"formula_full": "Na1 Mg2 Hg1",
"formula_reduced": "NaMg2Hg",
"formula_anonymous": "ABC2",
"energy": -1.55699565,
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"energy_above_hull": null,
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"energy_uncorrected": -1.55699565,
"band_gap": 0.0,
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"total_magnetization": 0.0065122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.295000Z",
"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": [
"Zr",
"Sc",
"Cd"
],
"chemical_system": "Cd-Sc-Zr",
"density": 0.44426324440108583,
"density_atomic": 0.0029644339315324044,
"volume": 1349.330122507497,
"volume_molar": 203.14639823620476,
"formula_full": "Zr1 Sc1 Cd2",
"formula_reduced": "ZrScCd2",
"formula_anonymous": "ABC2",
"energy": -7.12596658,
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"energy_above_hull": null,
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"energy_uncorrected": -7.12596658,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.720000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"Cd",
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],
"chemical_system": "Cd-In-Na",
"density": 0.446376893027602,
"density_atomic": 0.002965166911795407,
"volume": 1348.9965721956617,
"volume_molar": 203.09618106299442,
"formula_full": "Na1 Cd2 In1",
"formula_reduced": "NaCd2In",
"formula_anonymous": "ABC2",
"energy": -2.65177555,
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"energy_above_hull": null,
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"energy_uncorrected": -2.65177555,
"band_gap": 0.0056000000000002,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.247000Z",
"spacegroup": 71
},
{
"id": "mp-1096680",
"created_at": "2022-09-04T14:40:42.367484Z",
"structure_string": "Li1 Ca1 Hg2\n1.0\n-6.141254 6.237536 8.802758\n6.141254 -6.237536 8.802758\n6.141254 6.237536 -8.802758\nLi Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Ca\n0.000000 0.225422 0.225422 Hg\n0.000000 0.774578 0.774578 Hg\n",
"nsites": 4,
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"elements": [
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"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Li",
"density": 0.5517865389777867,
"density_atomic": 0.002965590024382735,
"volume": 1348.8041054604537,
"volume_molar": 203.06720451871843,
"formula_full": "Li1 Ca1 Hg2",
"formula_reduced": "LiCaHg2",
"formula_anonymous": "ABC2",
"energy": -1.94900028,
"energy_per_atom": -0.48725007,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -1.94900028,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0777545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.713000Z",
"spacegroup": 71
},
{
"id": "mp-1097552",
"created_at": "2022-09-04T14:39:15.345317Z",
"structure_string": "La1 Sc1 Tl2\n1.0\n-5.953282 6.278715 9.014727\n5.953282 -6.278715 9.014727\n5.953282 6.278715 -9.014727\nLa Sc Tl\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sc\n0.000000 0.243005 0.243005 Tl\n0.000000 0.756995 0.756995 Tl\n",
"nsites": 4,
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"elements": [
"La",
"Sc",
"Tl"
],
"chemical_system": "La-Sc-Tl",
"density": 0.7301153098182152,
"density_atomic": 0.0029677013585738938,
"volume": 1347.844515568834,
"volume_molar": 202.9227348837382,
"formula_full": "La1 Sc1 Tl2",
"formula_reduced": "LaScTl2",
"formula_anonymous": "ABC2",
"energy": -8.68382011,
"energy_per_atom": -2.1709550275,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -8.68382011,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.152000Z",
"spacegroup": 71
},
{
"id": "mp-1097214",
"created_at": "2022-09-04T14:44:00.143942Z",
"structure_string": "Tl2 In1 Bi1\n1.0\n-5.657776 6.542284 9.099822\n5.657776 -6.542284 9.099822\n5.657776 6.542284 -9.099822\nTl In Bi\n2 1 1\ndirect\n0.000000 0.253913 0.253913 Tl\n0.000000 0.746087 0.746087 Tl\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
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"elements": [
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"In",
"Bi"
],
"chemical_system": "Bi-In-Tl",
"density": 0.9028741776741619,
"density_atomic": 0.002968875328961686,
"volume": 1347.3115428524686,
"volume_molar": 202.84249396575845,
"formula_full": "Tl2 In1 Bi1",
"formula_reduced": "Tl2InBi",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -7.30792057,
"band_gap": 0.2710000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.34e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.282000Z",
"spacegroup": 71
},
{
"id": "mp-1096336",
"created_at": "2022-09-04T14:44:01.049419Z",
"structure_string": "Ca1 Y1 Ag2\n1.0\n-5.986376 6.308494 8.912941\n5.986376 -6.308494 8.912941\n5.986376 6.308494 -8.912941\nCa Y Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.250402 0.250402 Ag\n0.000000 0.749598 0.749598 Ag\n",
"nsites": 4,
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"elements": [
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"Y",
"Ag"
],
"chemical_system": "Ag-Ca-Y",
"density": 0.42515293846562935,
"density_atomic": 0.002970908544946152,
"volume": 1346.3894763116987,
"volume_molar": 202.70367360329337,
"formula_full": "Ca1 Y1 Ag2",
"formula_reduced": "CaYAg2",
"formula_anonymous": "ABC2",
"energy": -7.77821383,
"energy_per_atom": -1.9445534575,
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"band_gap": 0.0760999999999998,
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"updated_at": "2021-11-28T01:36:22.631000Z",
"spacegroup": 71
},
{
"id": "mp-1097332",
"created_at": "2022-09-04T14:42:41.469779Z",
"structure_string": "Li2 Ca1 Tl1\n1.0\n-6.068685 6.347169 8.736742\n6.068685 -6.347169 8.736742\n6.068685 6.347169 -8.736742\nLi Ca Tl\n2 1 1\ndirect\n0.272300 0.000000 0.272300 Li\n0.727700 0.000000 0.727700 Li\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 0.3186853800317066,
"density_atomic": 0.002971500661899502,
"volume": 1346.1211876167108,
"volume_molar": 202.66328179615502,
"formula_full": "Li2 Ca1 Tl1",
"formula_reduced": "Li2CaTl",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:50.538000Z",
"spacegroup": 71
},
{
"id": "mp-1093836",
"created_at": "2022-09-04T14:39:08.552209Z",
"structure_string": "Sc2 In1 Tc1\n1.0\n-5.140923 6.899033 9.484310\n5.140923 -6.899033 9.484310\n5.140923 6.899033 -9.484310\nSc In Tc\n2 1 1\ndirect\n0.000000 0.213831 0.213831 Sc\n0.000000 0.786169 0.786169 Sc\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
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"density": 0.3736020515776211,
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"volume": 1345.535168380895,
"volume_molar": 202.57505453800127,
"formula_full": "Sc2 In1 Tc1",
"formula_reduced": "Sc2InTc",
"formula_anonymous": "ABC2",
"energy": -16.23917371,
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"energy_above_hull": null,
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"energy_uncorrected": -16.23917371,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:40.170000Z",
"spacegroup": 71
},
{
"id": "mp-1096098",
"created_at": "2022-09-04T14:43:16.047109Z",
"structure_string": "In1 Hg2 Pb1\n1.0\n-5.951155 6.321537 8.939183\n5.951155 -6.321537 8.939183\n5.951155 6.321537 -8.939183\nIn Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.251395 0.251395 Hg\n0.000000 0.748605 0.748605 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Hg-In-Pb",
"density": 0.89273908387513,
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"volume": 1345.1842241231593,
"volume_molar": 202.52221864502633,
"formula_full": "In1 Hg2 Pb1",
"formula_reduced": "InHg2Pb",
"formula_anonymous": "ABC2",
"energy": -3.68120066,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.065000Z",
"spacegroup": 71
}
]
}