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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=19",
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"results": [
{
"id": "mp-1008625",
"created_at": "2022-09-04T14:40:21.206703Z",
"structure_string": "W2 C1\n1.0\n1.535023 -2.658737 0.000000\n1.535023 2.658737 0.000000\n0.000000 0.000000 4.678428\nW C\n2 1\ndirect\n0.666667 0.333333 0.746331 W\n0.333333 0.666667 0.253669 W\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-1187760",
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{
"id": "mp-1186386",
"created_at": "2022-09-04T14:48:29.509603Z",
"structure_string": "Nd1 Pu3\n1.0\n-2.432384 2.432384 4.947144\n2.432384 -2.432384 4.947144\n2.432384 2.432384 -4.947144\nNd Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
"nsites": 4,
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"chemical_system": "Nd-Pu",
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"density_atomic": 0.03416498010311033,
"volume": 117.07895008069522,
"volume_molar": 17.626647935474,
"formula_full": "Nd1 Pu3",
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"formula_anonymous": "AB3",
"energy": -46.62918999,
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"updated_at": "2021-11-28T01:39:24.162000Z",
"spacegroup": 139
},
{
"id": "mp-1184461",
"created_at": "2022-09-04T14:46:04.489606Z",
"structure_string": "Gd3 Au1\n1.0\n4.802448 0.000000 0.000000\n0.000000 4.802448 0.000000\n0.000000 0.000000 4.802448\nGd Au\n3 1\ndirect\n0.500000 0.000000 0.000000 Gd\n0.000000 0.500000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Au\n",
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"elements": [
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"chemical_system": "Au-Gd",
"density": 10.025433674151856,
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"volume": 110.76129206960775,
"volume_molar": 16.67550229006624,
"formula_full": "Gd3 Au1",
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"formula_anonymous": "AB3",
"energy": -46.62713733,
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"updated_at": "2021-11-28T01:37:15.946000Z",
"spacegroup": 221
},
{
"id": "mp-1185228",
"created_at": "2022-09-04T14:39:07.224160Z",
"structure_string": "Ho2 Pu6\n1.0\n3.453162 -5.981053 0.000000\n3.453162 5.981053 0.000000\n0.000000 0.000000 5.567709\nHo Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n0.163777 0.327553 0.250000 Pu\n0.672447 0.836223 0.250000 Pu\n0.163777 0.836223 0.250000 Pu\n0.836223 0.672447 0.750000 Pu\n0.327553 0.163777 0.750000 Pu\n0.836223 0.163777 0.750000 Pu\n",
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"elements": [
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"density": 12.951995063849235,
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"volume": 229.98585608407484,
"volume_molar": 17.312589976842514,
"formula_full": "Ho2 Pu6",
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"updated_at": "2021-11-28T01:34:31.127000Z",
"spacegroup": 194
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{
"id": "mp-1006258",
"created_at": "2022-09-04T14:39:14.569782Z",
"structure_string": "Er2 Pu6\n1.0\n3.422479 -5.927908 0.000000\n3.422479 5.927908 0.000000\n0.000000 0.000000 5.498162\nEr Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n0.164005 0.328011 0.250000 Pu\n0.671989 0.835995 0.250000 Pu\n0.164005 0.835995 0.250000 Pu\n0.835995 0.671989 0.750000 Pu\n0.328011 0.164005 0.750000 Pu\n0.835995 0.164005 0.750000 Pu\n",
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"elements": [
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"Pu"
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"density": 13.386717904875375,
"density_atomic": 0.035859168299869654,
"volume": 223.09496787824494,
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"formula_full": "Er2 Pu6",
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"updated_at": "2021-11-28T01:34:40.848000Z",
"spacegroup": 194
},
{
"id": "mp-1186761",
"created_at": "2022-09-04T14:42:09.837828Z",
"structure_string": "Ta2 Mn1 Re1\n1.0\n0.000000 3.146103 3.146103\n3.146103 0.000000 3.146103\n3.146103 3.146103 0.000000\nTa Mn Re\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 4,
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"elements": [
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"Mn",
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"chemical_system": "Mn-Re-Ta",
"density": 16.07855409377888,
"density_atomic": 0.06422604586664554,
"volume": 62.28002901354568,
"volume_molar": 9.3764775314114,
"formula_full": "Ta2 Mn1 Re1",
"formula_reduced": "Ta2MnRe",
"formula_anonymous": "ABC2",
"energy": -46.61472511,
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"total_magnetization": 9.45e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.730000Z",
"spacegroup": 225
},
{
"id": "mp-1186902",
"created_at": "2022-09-04T14:41:59.166452Z",
"structure_string": "Re3 Ir1\n1.0\n3.906077 0.000000 0.000000\n0.000000 3.906077 0.000000\n0.000000 0.000000 3.906077\nRe Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"density": 20.920542439976263,
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"volume": 59.59672581459247,
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"formula_full": "Re3 Ir1",
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"updated_at": "2021-11-28T01:35:38.865000Z",
"spacegroup": 221
},
{
"id": "mp-979010",
"created_at": "2022-09-04T14:44:55.531243Z",
"structure_string": "Tm1 Pu3\n1.0\n-2.405969 2.405969 4.777842\n2.405969 -2.405969 4.777842\n2.405969 2.405969 -4.777842\nTm Pu\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Pu\n0.250000 0.750000 0.500000 Pu\n0.500000 0.500000 0.000000 Pu\n",
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"elements": [
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"formula_full": "Tm1 Pu3",
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"updated_at": "2021-11-28T01:36:42.617000Z",
"spacegroup": 139
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{
"id": "mp-1186428",
"created_at": "2022-09-04T14:40:41.361326Z",
"structure_string": "Nd2 Pu6\n1.0\n5.392992 0.000000 0.000000\n0.000000 6.825673 0.000000\n0.000000 3.409981 6.013780\nNd Pu\n2 6\ndirect\n0.500000 0.663320 0.687751 Nd\n0.000000 0.342139 0.312516 Nd\n0.000000 0.310654 0.823132 Pu\n0.000000 0.831503 0.331789 Pu\n0.000000 0.857384 0.848733 Pu\n0.500000 0.693847 0.160592 Pu\n0.500000 0.171913 0.665197 Pu\n0.500000 0.129236 0.170291 Pu\n",
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"updated_at": "2021-11-28T01:35:04.707000Z",
"spacegroup": 6
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{
"id": "mp-1187839",
"created_at": "2022-09-04T14:43:11.386352Z",
"structure_string": "Tm2 Pu6\n1.0\n3.427441 -5.936502 0.000000\n3.427441 5.936502 0.000000\n0.000000 0.000000 5.544525\nTm Pu\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.164087 0.328173 0.250000 Pu\n0.671827 0.835913 0.250000 Pu\n0.164087 0.835913 0.250000 Pu\n0.835913 0.671827 0.750000 Pu\n0.328173 0.164087 0.750000 Pu\n0.835913 0.164087 0.750000 Pu\n",
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{
"id": "mp-21421",
"created_at": "2022-09-04T14:46:32.527469Z",
"structure_string": "Pu2 S1 O2\n1.0\n1.933880 -3.349579 0.000000\n1.933880 3.349579 0.000000\n0.000000 0.000000 6.650003\nPu S O\n2 1 2\ndirect\n0.666667 0.333333 0.724461 Pu\n0.333333 0.666667 0.275539 Pu\n0.000000 0.000000 0.000000 S\n0.333333 0.666667 0.628922 O\n0.666667 0.333333 0.371078 O\n",
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"volume": 86.15323389181901,
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"formula_full": "Pu2 S1 O2",
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"energy": -58.18886663,
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"updated_at": "2021-11-28T01:37:30.062000Z",
"spacegroup": 164
}
]
}