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{
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"results": [
{
"id": "mp-1097322",
"created_at": "2022-09-04T14:46:15.809880Z",
"structure_string": "Li2 Ge1 Pt1\n1.0\n-4.966537 4.979192 7.912116\n4.966537 -4.979192 7.912116\n4.966537 4.979192 -7.912116\nLi Ge Pt\n2 1 1\ndirect\n0.742006 0.000000 0.742006 Li\n0.257994 0.000000 0.257994 Li\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Pt\n",
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"elements": [
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"density": 0.5974833613957264,
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{
"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",
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"elements": [
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"updated_at": "2021-11-28T01:38:09.902000Z",
"spacegroup": 71
},
{
"id": "mp-1096444",
"created_at": "2022-09-04T14:43:15.334479Z",
"structure_string": "Be1 Fe1 Co2\n1.0\n-4.385888 4.524771 6.395082\n4.385888 -4.524771 6.395082\n4.385888 4.524771 -6.395082\nBe Fe Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Fe\n0.000000 0.247971 0.247971 Co\n0.000000 0.752029 0.752029 Co\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Be-Co-Fe",
"density": 0.5977002309732177,
"density_atomic": 0.007879519615453044,
"volume": 507.64516051909266,
"volume_molar": 76.42776531946926,
"formula_full": "Be1 Fe1 Co2",
"formula_reduced": "BeFeCo2",
"formula_anonymous": "ABC2",
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"energy_uncorrected": -14.77865477,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.594000Z",
"spacegroup": 71
},
{
"id": "mp-1095965",
"created_at": "2022-09-04T14:42:27.163949Z",
"structure_string": "Y1 Zn2 Au1\n1.0\n-5.576834 6.126076 8.468063\n5.576834 -6.126076 8.468063\n5.576834 6.126076 -8.468063\nY Zn Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.274520 0.274520 Zn\n0.000000 0.725480 0.725480 Zn\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Au-Y-Zn",
"density": 0.5979273825333513,
"density_atomic": 0.0034565737045358534,
"volume": 1157.2153068083117,
"volume_molar": 174.22283668065597,
"formula_full": "Y1 Zn2 Au1",
"formula_reduced": "YZn2Au",
"formula_anonymous": "ABC2",
"energy": -6.79309419,
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"band_gap": 0.3519000000000001,
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"total_magnetization": 7.73e-05,
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"updated_at": "2021-11-28T01:35:53.573000Z",
"spacegroup": 71
},
{
"id": "mp-1181264",
"created_at": "2022-09-04T14:43:16.774732Z",
"structure_string": "Ge1 Te1\n1.0\n6.691573 7.305897 0.000000\n-6.691573 7.305897 0.000000\n0.000000 1.751909 5.685961\nGe Te\n1 1\ndirect\n0.006316 0.006316 0.972151 Ge\n0.951684 0.951684 0.632849 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ge-Te",
"density": 0.5980869089185615,
"density_atomic": 0.00359744661752454,
"volume": 555.9498757416536,
"volume_molar": 167.40042036103736,
"formula_full": "Ge1 Te1",
"formula_reduced": "GeTe",
"formula_anonymous": "AB",
"energy": -6.759738329999999,
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"band_gap": 2.1769,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.811000Z",
"spacegroup": 8
},
{
"id": "mp-1096219",
"created_at": "2022-09-04T14:47:46.271009Z",
"structure_string": "Mg1 Ge1 Pd2\n1.0\n-4.944820 5.544852 7.840374\n4.944820 -5.544852 7.840374\n4.944820 5.544852 -7.840374\nMg Ge Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ge\n0.000000 0.269437 0.269437 Pd\n0.000000 0.730563 0.730563 Pd\n",
"nsites": 4,
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"elements": [
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"Ge",
"Pd"
],
"chemical_system": "Ge-Mg-Pd",
"density": 0.5982356164901153,
"density_atomic": 0.004651818637305039,
"volume": 859.8787510592501,
"volume_molar": 129.45777188529507,
"formula_full": "Mg1 Ge1 Pd2",
"formula_reduced": "MgGePd2",
"formula_anonymous": "ABC2",
"energy": -11.52471424,
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"energy_uncorrected": -11.52471424,
"band_gap": 0.8817999999999997,
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"total_magnetization": 7.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.208000Z",
"spacegroup": 71
},
{
"id": "mp-1093811",
"created_at": "2022-09-04T14:47:26.063284Z",
"structure_string": "Y2 Cd1 Au1\n1.0\n-5.952070 6.344301 8.952714\n5.952070 -6.344301 8.952714\n5.952070 6.344301 -8.952714\nY Cd Au\n2 1 1\ndirect\n0.000000 0.272604 0.272604 Y\n0.000000 0.727396 0.727396 Y\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Cd",
"Au"
],
"chemical_system": "Au-Cd-Y",
"density": 0.5982466830498043,
"density_atomic": 0.00295796805473074,
"volume": 1352.2796480518837,
"volume_molar": 203.59045968629258,
"formula_full": "Y2 Cd1 Au1",
"formula_reduced": "Y2CdAu",
"formula_anonymous": "ABC2",
"energy": -10.08892799,
"energy_per_atom": -2.5222319975,
"energy_above_hull": null,
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"energy_uncorrected": -10.08892799,
"band_gap": 0.2181000000000001,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.577000Z",
"spacegroup": 71
},
{
"id": "mp-1096338",
"created_at": "2022-09-04T14:48:26.039636Z",
"structure_string": "Na1 Li1 Hg2\n1.0\n-5.910205 5.980608 8.459492\n5.910205 -5.980608 8.459492\n5.910205 5.980608 -8.459492\nNa Li Hg\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.233214 0.233214 Hg\n0.000000 0.766786 0.766786 Hg\n",
"nsites": 4,
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"elements": [
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"Li",
"Hg"
],
"chemical_system": "Hg-Li-Na",
"density": 0.5985298458138731,
"density_atomic": 0.0033443200575273323,
"volume": 1196.0577729385905,
"volume_molar": 180.07070664320776,
"formula_full": "Na1 Li1 Hg2",
"formula_reduced": "NaLiHg2",
"formula_anonymous": "ABC2",
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"band_gap": 0.1269999999999997,
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"updated_at": "2021-11-28T01:39:13.688000Z",
"spacegroup": 71
},
{
"id": "mp-1097656",
"created_at": "2022-09-04T14:40:57.164901Z",
"structure_string": "Ca1 La1 Pd2\n1.0\n-5.481465 5.945296 8.334516\n5.481465 -5.945296 8.334516\n5.481465 5.945296 -8.334516\nCa La Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 La\n0.000000 0.279140 0.279140 Pd\n0.000000 0.720860 0.720860 Pd\n",
"nsites": 4,
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"elements": [
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"Pd"
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"chemical_system": "Ca-La-Pd",
"density": 0.5988651498948457,
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"volume": 1086.4518986620244,
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"formula_full": "Ca1 La1 Pd2",
"formula_reduced": "CaLaPd2",
"formula_anonymous": "ABC2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.578000Z",
"spacegroup": 71
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{
"id": "mp-1120743",
"created_at": "2022-09-04T14:43:57.868508Z",
"structure_string": "P4\n1.0\n4.148696 -5.785817 0.000000\n4.148696 5.785817 0.000000\n0.000000 0.000000 7.155529\nP\n4\ndirect\n0.394198 0.394198 0.448684 P\n0.894198 0.894198 0.051316 P\n0.605802 0.605802 0.551316 P\n0.105802 0.105802 0.948684 P\n",
"nsites": 4,
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"elements": [
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"density": 0.5989009446267416,
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"volume": 343.5168523410875,
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"energy": -18.16121976,
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"updated_at": "2021-11-28T01:36:21.394000Z",
"spacegroup": 64
},
{
"id": "mp-1096200",
"created_at": "2022-09-04T14:41:01.875578Z",
"structure_string": "Ba2 Hg1 Pd1\n1.0\n-6.330984 6.524784 9.746266\n6.330984 -6.524784 9.746266\n6.330984 6.524784 -9.746266\nBa Hg Pd\n2 1 1\ndirect\n0.000000 0.224251 0.224251 Ba\n0.000000 0.775749 0.775749 Ba\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"formula_full": "Ba2 Hg1 Pd1",
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"updated_at": "2021-11-28T01:35:11.021000Z",
"spacegroup": 71
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{
"id": "mp-1096135",
"created_at": "2022-09-04T14:39:26.003014Z",
"structure_string": "Ca1 Y1 Pb2\n1.0\n-5.993441 6.657145 9.424657\n5.993441 -6.657145 9.424657\n5.993441 6.657145 -9.424657\nCa Y Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.255033 0.255033 Pb\n0.000000 0.744967 0.744967 Pb\n",
"nsites": 4,
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"density": 0.5998822728326675,
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"volume": 1504.145316419788,
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"formula_full": "Ca1 Y1 Pb2",
"formula_reduced": "CaYPb2",
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"energy": -9.94037236,
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"updated_at": "2021-11-28T01:34:30.141000Z",
"spacegroup": 71
}
]
}