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{
"id": "mp-1186259",
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{
"id": "mp-1093767",
"created_at": "2022-09-04T14:39:26.282016Z",
"structure_string": "Sc2 Tl1 Mo1\n1.0\n-5.206349 6.027503 9.470115\n5.206349 -6.027503 9.470115\n5.206349 6.027503 -9.470115\nSc Tl Mo\n2 1 1\ndirect\n0.000000 0.218122 0.218122 Sc\n0.000000 0.781878 0.781878 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Mo\n",
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"updated_at": "2021-11-28T01:34:32.629000Z",
"spacegroup": 71
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{
"id": "mp-1226212",
"created_at": "2022-09-04T14:39:19.022878Z",
"structure_string": "Cr1 Ni1 Sb2\n1.0\n2.013581 -3.487625 0.000000\n2.013581 3.487625 0.000000\n0.000000 0.000000 5.444078\nCr Ni Sb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ni\n0.333333 0.666667 0.269848 Sb\n0.666667 0.333333 0.730152 Sb\n",
"nsites": 4,
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"chemical_system": "Cr-Ni-Sb",
"density": 7.6922976564025065,
"density_atomic": 0.05231265595155706,
"volume": 76.46333238564887,
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"formula_full": "Cr1 Ni1 Sb2",
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"updated_at": "2021-11-28T01:34:40.367000Z",
"spacegroup": 164
},
{
"id": "mp-1096058",
"created_at": "2022-09-04T14:39:26.342511Z",
"structure_string": "Ba2 Zn1 Ga1\n1.0\n-6.584391 6.773162 9.287944\n6.584391 -6.773162 9.287944\n6.584391 6.773162 -9.287944\nBa Zn Ga\n2 1 1\ndirect\n0.263926 0.000000 0.263926 Ba\n0.736074 0.000000 0.736074 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Ga\n",
"nsites": 4,
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"density": 0.41069513575582467,
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"formula_full": "Ba2 Zn1 Ga1",
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"updated_at": "2021-11-28T01:34:32.758000Z",
"spacegroup": 71
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{
"id": "mp-561320",
"created_at": "2022-09-04T14:39:26.544281Z",
"structure_string": "Pb2 S2\n1.0\n3.012737 3.003715 0.000000\n-3.012737 3.003715 0.000000\n0.000000 2.132706 22.337020\nPb S\n2 2\ndirect\n0.270001 0.273719 0.937441 Pb\n0.726281 0.729999 0.062559 Pb\n0.751790 0.788672 0.942033 S\n0.211328 0.248210 0.057967 S\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pb-S",
"density": 1.965545465358616,
"density_atomic": 0.00989429416476278,
"volume": 404.2734058024544,
"volume_molar": 60.86478388167453,
"formula_full": "Pb2 S2",
"formula_reduced": "PbS",
"formula_anonymous": "AB",
"energy": -18.60239507,
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"updated_at": "2021-11-28T01:34:30.479000Z",
"spacegroup": 5
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{
"id": "mp-1226527",
"created_at": "2022-09-04T14:39:26.628460Z",
"structure_string": "Ce1 U1 N2\n1.0\n5.797232 -1.749749 0.000000\n5.797232 1.749749 0.000000\n5.269114 0.000000 2.984284\nCe U N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 U\n0.239865 0.239865 0.239865 N\n0.760135 0.760135 0.760135 N\n",
"nsites": 4,
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"U",
"N"
],
"chemical_system": "Ce-N-U",
"density": 11.139811956244769,
"density_atomic": 0.06606834233047729,
"volume": 60.543368562083664,
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"formula_full": "Ce1 U1 N2",
"formula_reduced": "CeUN2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:36.942000Z",
"spacegroup": 166
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{
"id": "mp-867291",
"created_at": "2022-09-04T14:39:18.932427Z",
"structure_string": "Tb2 Ir1 Ru1\n1.0\n0.000000 3.430250 3.430250\n3.430250 0.000000 3.430250\n3.430250 3.430250 0.000000\nTb Ir Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tb\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ir-Ru-Tb",
"density": 12.571319328154145,
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"volume": 80.72486263628124,
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"formula_full": "Tb2 Ir1 Ru1",
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"updated_at": "2021-11-28T01:34:25.164000Z",
"spacegroup": 225
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{
"id": "mp-1095760",
"created_at": "2022-09-04T14:39:15.332467Z",
"structure_string": "Mn1 Ga1 Cu2\n1.0\n-4.893700 4.897623 6.957405\n4.893700 -4.897623 6.957405\n4.893700 4.897623 -6.957405\nMn Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Ga\n0.253942 0.000000 0.253942 Cu\n0.746058 0.000000 0.746058 Cu\n",
"nsites": 4,
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"density": 0.6267493026082902,
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"volume": 667.0063526489165,
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"formula_full": "Mn1 Ga1 Cu2",
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{
"id": "mp-867873",
"created_at": "2022-09-04T14:39:21.059510Z",
"structure_string": "Li1 Tm2 Al1\n1.0\n0.000000 3.593010 3.593010\n3.593010 0.000000 3.593010\n3.593010 3.593010 0.000000\nLi Tm Al\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Al\n",
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{
"id": "mp-1186415",
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"structure_string": "Pa1 Tc3\n1.0\n-2.090764 2.090764 3.849997\n2.090764 -2.090764 3.849997\n2.090764 2.090764 -3.849997\nPa Tc\n1 3\ndirect\n0.000000 0.000000 0.000000 Pa\n0.749998 0.250000 0.499999 Tc\n0.250000 0.749998 0.499999 Tc\n0.499999 0.499999 0.000000 Tc\n",
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"spacegroup": 139
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{
"id": "mp-1096505",
"created_at": "2022-09-04T14:39:21.094004Z",
"structure_string": "Sc2 Tl1 Hg1\n1.0\n-5.851730 6.223054 9.006136\n5.851730 -6.223054 9.006136\n5.851730 6.223054 -9.006136\nSc Tl Hg\n2 1 1\ndirect\n0.000000 0.250324 0.250324 Sc\n0.000000 0.749676 0.749676 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Hg\n",
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]
}