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{
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"results": [
{
"id": "mp-1097297",
"created_at": "2022-09-04T14:42:50.802514Z",
"structure_string": "La1 Y1 Ir2\n1.0\n-5.014809 6.075169 8.590943\n5.014809 -6.075169 8.590943\n5.014809 6.075169 -8.590943\nLa Y Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.000000 0.257412 0.257412 Ir\n0.000000 0.742588 0.742588 Ir\n",
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{
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"updated_at": "2021-11-28T01:35:06.951000Z",
"spacegroup": 71
},
{
"id": "mp-1096139",
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"structure_string": "Li1 Cd2 Ni1\n1.0\n-5.375194 5.915680 8.243327\n5.375194 -5.915680 8.243327\n5.375194 5.915680 -8.243327\nLi Cd Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.257434 0.257434 Cd\n0.000000 0.742566 0.742566 Cd\n0.000000 0.500000 0.500000 Ni\n",
"nsites": 4,
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"density": 0.46001152414694996,
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"volume": 1048.482861898742,
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"formula_full": "Li1 Cd2 Ni1",
"formula_reduced": "LiCd2Ni",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.879000Z",
"spacegroup": 71
},
{
"id": "mp-1096542",
"created_at": "2022-09-04T14:40:41.896771Z",
"structure_string": "Ca2 Pd1 Pt1\n1.0\n-5.135219 6.014127 8.505089\n5.135219 -6.014127 8.505089\n5.135219 6.014127 -8.505089\nCa Pd Pt\n2 1 1\ndirect\n0.000000 0.250969 0.250969 Ca\n0.000000 0.749031 0.749031 Ca\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"volume": 1050.6798859583073,
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"formula_full": "Ca2 Pd1 Pt1",
"formula_reduced": "Ca2PdPt",
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"updated_at": "2021-11-28T01:35:09.318000Z",
"spacegroup": 71
},
{
"id": "mp-1208426",
"created_at": "2022-09-04T14:47:15.480779Z",
"structure_string": "Tm2 Ga12\n1.0\n14.418349 0.000000 0.000000\n0.000000 14.418349 0.000000\n0.000000 0.000000 17.702735\nTm Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.872872 0.000000 0.351074 Ga\n0.127128 0.000000 0.351074 Ga\n0.000000 0.872872 0.351074 Ga\n0.000000 0.127128 0.648926 Ga\n0.127128 0.000000 0.648926 Ga\n0.000000 0.127128 0.351074 Ga\n0.000000 0.872872 0.648926 Ga\n0.872872 0.000000 0.648926 Ga\n0.000000 0.500000 0.158387 Ga\n0.500000 0.000000 0.158387 Ga\n0.500000 0.000000 0.841613 Ga\n0.000000 0.500000 0.841613 Ga\n",
"nsites": 14,
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"elements": [
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],
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"density": 0.5299649015059292,
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"volume": 3680.2001214135453,
"volume_molar": 158.30487968658187,
"formula_full": "Tm2 Ga12",
"formula_reduced": "TmGa6",
"formula_anonymous": "AB6",
"energy": -22.84157621,
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"updated_at": "2021-11-28T01:38:02.418000Z",
"spacegroup": 123
},
{
"id": "mp-1096290",
"created_at": "2022-09-04T14:40:00.744237Z",
"structure_string": "Y1 Rh1 Au2\n1.0\n-5.171490 5.864974 8.670863\n5.171490 -5.864974 8.670863\n5.171490 5.864974 -8.670863\nY Rh Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Rh\n0.000000 0.253289 0.253289 Au\n0.000000 0.746711 0.746711 Au\n",
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"density_atomic": 0.0038023833113400743,
"volume": 1051.9717957078556,
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"formula_full": "Y1 Rh1 Au2",
"formula_reduced": "YRhAu2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:46.386000Z",
"spacegroup": 71
},
{
"id": "mp-1097073",
"created_at": "2022-09-04T14:39:15.301360Z",
"structure_string": "Sc2 In1 Au1\n1.0\n-5.569827 5.723610 8.252718\n5.569827 -5.723610 8.252718\n5.569827 5.723610 -8.252718\nSc In Au\n2 1 1\ndirect\n0.000000 0.259847 0.259847 Sc\n0.000000 0.740153 0.740153 Sc\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
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"density_atomic": 0.0038009421071410446,
"volume": 1052.3706721249382,
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"formula_full": "Sc2 In1 Au1",
"formula_reduced": "Sc2InAu",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:36.225000Z",
"spacegroup": 71
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{
"id": "mp-1093645",
"created_at": "2022-09-04T14:43:34.349379Z",
"structure_string": "Ti2 Al1 W1\n1.0\n-4.912853 6.069733 8.823233\n4.912853 -6.069733 8.823233\n4.912853 6.069733 -8.823233\nTi Al W\n2 1 1\ndirect\n0.000000 0.275623 0.275623 Ti\n0.000000 0.724377 0.724377 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 W\n",
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"elements": [
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"W"
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"density_atomic": 0.003800746418772544,
"volume": 1052.4248553503355,
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"formula_full": "Ti2 Al1 W1",
"formula_reduced": "Ti2AlW",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:36:17.910000Z",
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},
{
"id": "mp-1096082",
"created_at": "2022-09-04T14:40:57.794248Z",
"structure_string": "Li2 Hg1 Pb1\n1.0\n-5.612952 5.769522 8.125930\n5.612952 -5.769522 8.125930\n5.612952 5.769522 -8.125930\nLi Hg Pb\n2 1 1\ndirect\n0.000000 0.255138 0.255138 Li\n0.000000 0.744862 0.744862 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"density_atomic": 0.003800106439104034,
"volume": 1052.6020952568622,
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"formula_full": "Li2 Hg1 Pb1",
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"updated_at": "2021-11-28T01:35:01.311000Z",
"spacegroup": 71
},
{
"id": "mp-1096683",
"created_at": "2022-09-04T14:48:30.979479Z",
"structure_string": "Li1 Pd1 Pb2\n1.0\n-5.401484 5.876082 8.311409\n5.401484 -5.876082 8.311409\n5.401484 5.876082 -8.311409\nLi Pd Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pd\n0.000000 0.262797 0.262797 Pb\n0.000000 0.737203 0.737203 Pb\n",
"nsites": 4,
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"volume": 1055.2019551616056,
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"formula_full": "Li1 Pd1 Pb2",
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"updated_at": "2021-11-28T01:40:00.912000Z",
"spacegroup": 71
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{
"id": "mp-1213664",
"created_at": "2022-09-04T14:43:24.147772Z",
"structure_string": "Hg1 Mo6 S12\n1.0\n17.083984 0.000000 0.000000\n-7.539733 -15.774280 0.000000\n-8.355106 0.276460 -18.608778\nHg Mo S\n1 6 12\ndirect\n0.000000 0.000000 0.000000 Hg\n0.241898 0.385936 0.026509 Mo\n0.758102 0.614064 0.973491 Mo\n0.789896 0.158458 0.761570 Mo\n0.210104 0.841542 0.238430 Mo\n0.978233 0.140796 0.217740 Mo\n0.021767 0.859204 0.782260 Mo\n0.060352 0.087910 0.322226 S\n0.939648 0.912090 0.677774 S\n0.262823 0.345769 0.934152 S\n0.737177 0.654231 0.065848 S\n0.657154 0.032328 0.732915 S\n0.342846 0.967672 0.267085 S\n0.238859 0.255506 0.012096 S\n0.761141 0.744494 0.987904 S\n0.785260 0.023751 0.763071 S\n0.214740 0.976249 0.236929 S\n0.991315 0.012340 0.229998 S\n0.008685 0.987660 0.770002 S\n",
"nsites": 19,
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"density": 0.38443994066797776,
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"volume": 5014.833938334992,
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"formula_full": "Hg1 Mo6 S12",
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"formula_anonymous": "AB6C12",
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{
"id": "mp-1095714",
"created_at": "2022-09-04T14:44:17.967872Z",
"structure_string": "La1 Sb1 Pd2\n1.0\n-4.917970 6.166212 8.707220\n4.917970 -6.166212 8.707220\n4.917970 6.166212 -8.707220\nLa Sb Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Sb\n0.000000 0.261789 0.261789 Pd\n0.000000 0.738211 0.738211 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.7444409619118395,
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"volume": 1056.194341005256,
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"formula_full": "La1 Sb1 Pd2",
"formula_reduced": "LaSbPd2",
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"updated_at": "2021-11-28T01:36:42.568000Z",
"spacegroup": 71
}
]
}