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{
"id": "mp-1094601",
"created_at": "2022-09-04T14:41:07.593168Z",
"structure_string": "Li4 Mg2\n1.0\n1.519819 5.637084 0.000000\n-1.519819 5.637084 0.000000\n0.000000 2.199163 7.181659\nLi Mg\n4 2\ndirect\n0.804462 0.804462 0.639464 Li\n0.139765 0.139765 0.970347 Li\n0.860235 0.860235 0.029653 Li\n0.195538 0.195538 0.360536 Li\n0.527166 0.527166 0.696291 Mg\n0.472834 0.472834 0.303709 Mg\n",
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{
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{
"id": "mp-7932",
"created_at": "2022-09-04T14:40:59.016744Z",
"structure_string": "U2 Si2 S2\n1.0\n4.063095 0.000000 0.000000\n0.000000 4.063095 0.000000\n0.000000 0.000000 7.161416\nU Si S\n2 2 2\ndirect\n0.000000 0.500000 0.750942 U\n0.500000 0.000000 0.249058 U\n0.000000 0.500000 0.364841 Si\n0.500000 0.000000 0.635159 Si\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 6,
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"elements": [
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"chemical_system": "S-Si-U",
"density": 8.37613924516187,
"density_atomic": 0.05075027438395901,
"volume": 118.22596178704526,
"volume_molar": 11.866223056132794,
"formula_full": "U2 Si2 S2",
"formula_reduced": "USiS",
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"energy": -44.79651566,
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"spacegroup": 129
},
{
"id": "mp-1080330",
"created_at": "2022-09-04T14:41:02.494247Z",
"structure_string": "Ce2 Se4\n1.0\n2.658816 -4.605204 0.000000\n2.658816 4.605204 0.000000\n0.000000 0.000000 5.772452\nCe Se\n2 4\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n",
"nsites": 6,
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"density": 7.001971462494766,
"density_atomic": 0.04244472925339742,
"volume": 141.36030799441934,
"volume_molar": 14.188194543655777,
"formula_full": "Ce2 Se4",
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"updated_at": "2021-11-28T01:35:23.975000Z",
"spacegroup": 194
},
{
"id": "mp-1225668",
"created_at": "2022-09-04T14:40:57.971622Z",
"structure_string": "Dy2 Fe2 Ni2\n1.0\n-2.377884 2.554352 3.735415\n2.377884 -2.554352 3.735415\n2.377884 2.554352 -3.735415\nDy Fe Ni\n2 2 2\ndirect\n0.369713 0.119713 0.250000 Dy\n0.630287 0.880287 0.750000 Dy\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n",
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"volume": 90.75493686401686,
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"formula_full": "Dy2 Fe2 Ni2",
"formula_reduced": "DyFeNi",
"formula_anonymous": "ABC",
"energy": -38.94958291,
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"updated_at": "2021-11-28T01:34:57.794000Z",
"spacegroup": 74
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{
"id": "mp-1206264",
"created_at": "2022-09-04T14:40:56.937821Z",
"structure_string": "Sm2 Ni2 Sb2\n1.0\n-2.185717 -3.785773 0.000000\n-2.185717 3.785773 0.000000\n0.000000 0.000000 -8.066641\nSm Ni Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n",
"nsites": 6,
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"Ni",
"Sb"
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"density": 8.229831837909959,
"density_atomic": 0.044944859346221076,
"volume": 133.49691349083005,
"volume_molar": 13.398953401122025,
"formula_full": "Sm2 Ni2 Sb2",
"formula_reduced": "SmNiSb",
"formula_anonymous": "ABC",
"energy": -34.59385042,
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"updated_at": "2021-11-28T01:35:00.504000Z",
"spacegroup": 194
},
{
"id": "mp-4808",
"created_at": "2022-09-04T14:41:06.053121Z",
"structure_string": "Nd2 Ag2 Sn2\n1.0\n2.411372 -4.176618 0.000000\n2.411372 4.176618 0.000000\n0.000000 0.000000 7.676005\nNd Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.761196 Nd\n0.000000 0.000000 0.261196 Nd\n0.666667 0.333333 0.958036 Ag\n0.333333 0.666667 0.458036 Ag\n0.333333 0.666667 0.040768 Sn\n0.666667 0.333333 0.540768 Sn\n",
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"volume": 154.61592186660042,
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"formula_full": "Nd2 Ag2 Sn2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:13.325000Z",
"spacegroup": 186
},
{
"id": "mp-11113",
"created_at": "2022-09-04T14:41:07.376598Z",
"structure_string": "Ti2 Te2 As2\n1.0\n-1.799303 2.651720 6.436330\n1.799303 -2.651720 6.436330\n1.799303 2.651720 -6.436330\nTi Te As\n2 2 2\ndirect\n0.881778 0.381778 0.500000 Ti\n0.118222 0.618222 0.500000 Ti\n0.709481 0.709481 0.000000 Te\n0.290519 0.290519 0.000000 Te\n0.748860 0.000000 0.748860 As\n0.251140 0.000000 0.251140 As\n",
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"Te",
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"volume": 122.83730015289458,
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"formula_full": "Ti2 Te2 As2",
"formula_reduced": "TiTeAs",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:10.782000Z",
"spacegroup": 71
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{
"id": "mp-1228005",
"created_at": "2022-09-04T14:40:56.564851Z",
"structure_string": "Ba2 Ga2 Sn2\n1.0\n2.336914 -4.047654 0.000000\n2.336914 4.047654 0.000000\n0.000000 0.000000 10.554852\nBa Ga Sn\n2 2 2\ndirect\n0.000000 0.000000 0.232863 Ba\n0.000000 0.000000 0.767137 Ba\n0.333333 0.666667 0.007058 Ga\n0.666667 0.333333 0.992942 Ga\n0.666667 0.333333 0.554511 Sn\n0.333333 0.666667 0.445489 Sn\n",
"nsites": 6,
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"volume": 199.67709754813643,
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"formula_full": "Ba2 Ga2 Sn2",
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"updated_at": "2021-11-28T01:35:01.135000Z",
"spacegroup": 164
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{
"id": "mp-3093",
"created_at": "2022-09-04T14:41:00.589962Z",
"structure_string": "Er1 B2 Ru3\n1.0\n2.746667 -4.757366 0.000000\n2.746667 4.757366 0.000000\n0.000000 0.000000 3.034553\nEr B Ru\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Er\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n",
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"formula_full": "Er1 B2 Ru3",
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{
"id": "mp-1221581",
"created_at": "2022-09-04T14:40:56.901287Z",
"structure_string": "Mn1 Hg2 S3\n1.0\n2.082236 -3.606539 0.000000\n2.082236 3.606539 0.000000\n0.000000 0.000000 10.126695\nMn Hg S\n1 2 3\ndirect\n0.333333 0.666667 0.663377 Mn\n0.000000 0.000000 0.995127 Hg\n0.666667 0.333333 0.342709 Hg\n0.000000 0.000000 0.249155 S\n0.666667 0.333333 0.599547 S\n0.333333 0.666667 0.900086 S\n",
"nsites": 6,
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"formula_full": "Mn1 Hg2 S3",
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{
"id": "mp-1217526",
"created_at": "2022-09-04T14:41:07.463841Z",
"structure_string": "Tb2 Ge2 Pd2\n1.0\n2.200970 5.217737 0.000000\n-2.200970 5.217737 0.000000\n0.000000 4.734245 5.239094\nTb Ge Pd\n2 2 2\ndirect\n0.542097 0.542097 0.698098 Tb\n0.457903 0.457903 0.301902 Tb\n0.839963 0.839963 0.107419 Ge\n0.160037 0.160037 0.892581 Ge\n0.178715 0.178715 0.272559 Pd\n0.821285 0.821285 0.727441 Pd\n",
"nsites": 6,
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"volume": 120.33237654156711,
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"formula_full": "Tb2 Ge2 Pd2",
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"energy": -34.308168,
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}
]
}