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{
"id": "mp-1097073",
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"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",
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{
"id": "mp-1208426",
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"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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"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-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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"density": 0.6031916558300847,
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"volume": 1050.6798859583073,
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"formula_full": "Ca2 Pd1 Pt1",
"formula_reduced": "Ca2PdPt",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:09.318000Z",
"spacegroup": 71
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{
"id": "mp-1096139",
"created_at": "2022-09-04T14:40:24.465083Z",
"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",
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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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"updated_at": "2021-11-28T01:34:53.879000Z",
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{
"id": "mp-1097187",
"created_at": "2022-09-04T14:40:39.606950Z",
"structure_string": "Li2 Mg1 Zn1\n1.0\n-5.650745 5.804599 7.990925\n5.650745 -5.804599 7.990925\n5.650745 5.804599 -7.990925\nLi Mg Zn\n2 1 1\ndirect\n0.261001 0.000000 0.261001 Li\n0.738999 0.000000 0.738999 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Zn\n",
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"density_atomic": 0.0038152676781840543,
"volume": 1048.4192296315819,
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"formula_full": "Li2 Mg1 Zn1",
"formula_reduced": "Li2MgZn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:06.951000Z",
"spacegroup": 71
},
{
"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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"density": 0.9710933549772276,
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"volume": 1046.9202234700278,
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"formula_full": "La1 Y1 Ir2",
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"updated_at": "2021-11-28T01:35:53.404000Z",
"spacegroup": 71
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{
"id": "mp-1096075",
"created_at": "2022-09-04T14:46:07.890758Z",
"structure_string": "Li1 Sn1 Hg2\n1.0\n-5.560489 5.773402 8.151612\n5.560489 -5.773402 8.151612\n5.560489 5.773402 -8.151612\nLi Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Sn\n0.000000 0.239259 0.239259 Hg\n0.000000 0.760741 0.760740 Hg\n",
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"volume": 1046.7627887688886,
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"formula_full": "Li1 Sn1 Hg2",
"formula_reduced": "LiSnHg2",
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"updated_at": "2021-11-28T01:37:25.441000Z",
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{
"id": "mp-1096124",
"created_at": "2022-09-04T14:40:07.529368Z",
"structure_string": "Li2 Cd1 In1\n1.0\n-5.660132 5.763134 8.005316\n5.660132 -5.763134 8.005316\n5.660132 5.763134 -8.005316\nLi Cd In\n2 1 1\ndirect\n0.748549 0.000000 0.748549 Li\n0.251451 0.000000 0.251451 Li\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 In\n",
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"volume": 1044.5368073468453,
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"formula_full": "Li2 Cd1 In1",
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"updated_at": "2021-11-28T01:34:50.160000Z",
"spacegroup": 71
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{
"id": "mp-1096708",
"created_at": "2022-09-04T14:42:42.746376Z",
"structure_string": "Na1 Ag1 Pd2\n1.0\n-5.372039 5.864819 8.279214\n5.372039 -5.864819 8.279214\n5.372039 5.864819 -8.279214\nNa Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Ag\n0.000000 0.255368 0.255368 Pd\n0.000000 0.744632 0.744632 Pd\n",
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"formula_full": "Na1 Ag1 Pd2",
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{
"id": "mp-1097433",
"created_at": "2022-09-04T14:43:19.345301Z",
"structure_string": "Mg1 Ag2 Hg1\n1.0\n-5.461728 5.809668 8.215810\n5.461728 -5.809668 8.215810\n5.461728 5.809668 -8.215810\nMg Ag Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.236808 0.236808 Ag\n0.000000 0.763192 0.763192 Ag\n0.000000 0.500000 0.500000 Hg\n",
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"formula_full": "Mg1 Ag2 Hg1",
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"updated_at": "2021-11-28T01:36:13.687000Z",
"spacegroup": 71
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{
"id": "mp-1097151",
"created_at": "2022-09-04T14:43:18.120841Z",
"structure_string": "Li2 Hg1 Bi1\n1.0\n-5.562050 5.763049 8.110341\n5.562050 -5.763049 8.110341\n5.562050 5.763049 -8.110341\nLi Hg Bi\n2 1 1\ndirect\n0.000000 0.255510 0.255510 Li\n0.000000 0.744490 0.744490 Li\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Bi\n",
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"volume": 1039.887377594364,
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"formula_full": "Li2 Hg1 Bi1",
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"updated_at": "2021-11-28T01:36:08.045000Z",
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}
]
}