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{
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"results": [
{
"id": "mp-1097079",
"created_at": "2022-09-04T14:47:00.583925Z",
"structure_string": "Sc1 Cu1 Hg2\n1.0\n-5.553335 5.557833 8.830438\n5.553335 -5.557833 8.830438\n5.553335 5.557833 -8.830438\nSc Cu Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.500000 Cu\n0.732751 0.000000 0.732751 Hg\n0.267249 0.000000 0.267249 Hg\n",
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{
"id": "mp-1097566",
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"updated_at": "2021-11-28T01:37:40.487000Z",
"spacegroup": 71
},
{
"id": "mp-1093852",
"created_at": "2022-09-04T14:40:21.326939Z",
"structure_string": "Y1 Sc1 Pt2\n1.0\n-4.988985 6.176698 8.861230\n4.988985 -6.176698 8.861230\n4.988985 6.176698 -8.861230\nY Sc Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244608 0.244608 Pt\n0.000000 0.755392 0.755392 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Sc-Y",
"density": 0.796677376084154,
"density_atomic": 0.003662160929511646,
"volume": 1092.2512901510872,
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"formula_full": "Y1 Sc1 Pt2",
"formula_reduced": "YScPt2",
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"energy": -19.48648865,
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"energy_uncorrected": -19.48648865,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.413000Z",
"spacegroup": 71
},
{
"id": "mp-1093699",
"created_at": "2022-09-04T14:39:36.521986Z",
"structure_string": "Li1 Mg1 Hg2\n1.0\n-5.735928 5.804145 8.205321\n5.735928 -5.804145 8.205321\n5.735928 5.804145 -8.205321\nLi Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Mg\n0.000000 0.239725 0.239725 Hg\n0.000000 0.760275 0.760275 Hg\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
"chemical_system": "Hg-Li-Mg",
"density": 0.6571482929291771,
"density_atomic": 0.0036606860101666633,
"volume": 1092.6913668342422,
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"formula_full": "Li1 Mg1 Hg2",
"formula_reduced": "LiMgHg2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.145000Z",
"spacegroup": 71
},
{
"id": "mp-1097268",
"created_at": "2022-09-04T14:41:04.802286Z",
"structure_string": "Mg2 Sn1 Hg1\n1.0\n-5.540010 5.906590 8.352382\n5.540010 -5.906590 8.352382\n5.540010 5.906590 -8.352382\nMg Sn Hg\n2 1 1\ndirect\n0.000000 0.249471 0.249471 Mg\n0.000000 0.750529 0.750529 Mg\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-Mg-Sn",
"density": 0.5588213308610923,
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"volume": 1093.2455406657805,
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"formula_full": "Mg2 Sn1 Hg1",
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"band_gap": 0.4011,
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"updated_at": "2021-11-28T01:35:08.701000Z",
"spacegroup": 71
},
{
"id": "mp-1096679",
"created_at": "2022-09-04T14:39:12.664342Z",
"structure_string": "Mg2 In1 Ga1\n1.0\n-5.440436 5.841419 8.607575\n5.440436 -5.841419 8.607575\n5.440436 5.841419 -8.607575\nMg In Ga\n2 1 1\ndirect\n0.000000 0.243469 0.243469 Mg\n0.000000 0.756531 0.756531 Mg\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"density": 0.35382906799296165,
"density_atomic": 0.0036556711370220804,
"volume": 1094.190327869156,
"volume_molar": 164.7342043164652,
"formula_full": "Mg2 In1 Ga1",
"formula_reduced": "Mg2InGa",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.639000Z",
"spacegroup": 71
},
{
"id": "mp-1095791",
"created_at": "2022-09-04T14:44:19.725357Z",
"structure_string": "Y2 Cu1 Au1\n1.0\n-5.522387 5.929991 8.357606\n5.522387 -5.929991 8.357606\n5.522387 5.929991 -8.357606\nY Cu Au\n2 1 1\ndirect\n0.000000 0.250554 0.250554 Y\n0.000000 0.749446 0.749446 Y\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Cu",
"Au"
],
"chemical_system": "Au-Cu-Y",
"density": 0.6648472207082318,
"density_atomic": 0.0036537365886837427,
"volume": 1094.7696701477319,
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"formula_full": "Y2 Cu1 Au1",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:38.244000Z",
"spacegroup": 71
},
{
"id": "mp-1093829",
"created_at": "2022-09-04T14:40:05.071979Z",
"structure_string": "Ca1 Y1 Pd2\n1.0\n-5.312662 6.036785 8.534989\n5.312662 -6.036785 8.534989\n5.312662 6.036785 -8.534989\nCa Y Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Y\n0.000000 0.267382 0.267382 Pd\n0.000000 0.732618 0.732618 Pd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ca-Pd-Y",
"density": 0.5184067011327166,
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"volume": 1094.91612585329,
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"formula_full": "Ca1 Y1 Pd2",
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"band_gap": 0.0,
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"total_magnetization": 0.0001076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.893000Z",
"spacegroup": 71
},
{
"id": "mp-1093612",
"created_at": "2022-09-04T14:47:36.242705Z",
"structure_string": "Y2 Ir1 Au1\n1.0\n-5.317919 6.043766 8.520943\n5.317919 -6.043766 8.520943\n5.317919 6.043766 -8.520943\nY Ir Au\n2 1 1\ndirect\n0.000000 0.230676 0.230676 Y\n0.000000 0.769324 0.769324 Y\n0.000000 0.000000 0.000000 Ir\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Ir",
"Au"
],
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"density": 0.8594715827553044,
"density_atomic": 0.0036514300103347767,
"volume": 1095.4612271572105,
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"formula_full": "Y2 Ir1 Au1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:15.401000Z",
"spacegroup": 71
},
{
"id": "mp-1096657",
"created_at": "2022-09-04T14:42:26.602043Z",
"structure_string": "Y2 Rh1 Au1\n1.0\n-5.306661 6.043177 8.543913\n5.306661 -6.043177 8.543913\n5.306661 6.043177 -8.543913\nY Rh Au\n2 1 1\ndirect\n0.000000 0.229412 0.229412 Y\n0.000000 0.770588 0.770588 Y\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"formula_full": "Y2 Rh1 Au1",
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"updated_at": "2021-11-28T01:35:46.595000Z",
"spacegroup": 71
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{
"id": "mp-1097356",
"created_at": "2022-09-04T14:39:09.410305Z",
"structure_string": "Y2 Pt1 Au1\n1.0\n-5.352810 6.061934 8.446553\n5.352810 -6.061934 8.446553\n5.352810 6.061934 -8.446553\nY Pt Au\n2 1 1\ndirect\n0.000000 0.236974 0.236974 Y\n0.000000 0.763026 0.763026 Y\n0.000000 0.000000 0.000000 Pt\n0.000000 0.500000 0.500000 Au\n",
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"updated_at": "2021-11-28T01:34:27.432000Z",
"spacegroup": 71
},
{
"id": "mp-1208775",
"created_at": "2022-09-04T14:43:16.163559Z",
"structure_string": "Tb2 Ga12\n1.0\n14.555498 0.000000 0.000000\n0.000000 14.555498 0.000000\n0.000000 0.000000 18.114393\nTb Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.874708 0.000000 0.350698 Ga\n0.125292 0.000000 0.350698 Ga\n0.000000 0.874708 0.350698 Ga\n0.000000 0.125292 0.649302 Ga\n0.125292 0.000000 0.649302 Ga\n0.000000 0.125292 0.350698 Ga\n0.000000 0.874708 0.649302 Ga\n0.874708 0.000000 0.649302 Ga\n0.000000 0.500000 0.157768 Ga\n0.500000 0.000000 0.157768 Ga\n0.500000 0.000000 0.842232 Ga\n0.000000 0.500000 0.842232 Ga\n",
"nsites": 14,
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"volume": 3837.7609859864215,
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"formula_full": "Tb2 Ga12",
"formula_reduced": "TbGa6",
"formula_anonymous": "AB6",
"energy": -23.29701445,
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"updated_at": "2021-11-28T01:36:12.019000Z",
"spacegroup": 123
}
]
}