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{
"id": "mp-1185984",
"created_at": "2022-09-04T14:45:13.682779Z",
"structure_string": "Mn1 Be1 Ru2\n1.0\n0.000000 2.894129 2.894129\n2.894129 0.000000 2.894129\n2.894129 2.894129 0.000000\nMn Be Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Be\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"spacegroup": 160
},
{
"id": "mp-1223780",
"created_at": "2022-09-04T14:42:23.705834Z",
"structure_string": "K5 Br4 Cl1\n1.0\n-5.246133 5.246133 3.325368\n5.246133 -5.246133 3.325368\n5.246133 5.246133 -3.325368\nK Br Cl\n5 4 1\ndirect\n0.598572 0.204003 0.802575 K\n0.401428 0.795997 0.197425 K\n0.795997 0.598572 0.394569 K\n0.000000 0.000000 0.000000 K\n0.204003 0.401428 0.605431 K\n0.900217 0.299949 0.200166 Br\n0.299949 0.099783 0.399733 Br\n0.700051 0.900217 0.600267 Br\n0.099783 0.700051 0.799834 Br\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 10,
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"elements": [
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"density": 2.497329511237475,
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"volume": 366.0819345877236,
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"formula_full": "K5 Br4 Cl1",
"formula_reduced": "K5Br4Cl",
"formula_anonymous": "AB4C5",
"energy": -34.65623735,
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"updated_at": "2021-11-28T01:35:44.039000Z",
"spacegroup": 87
},
{
"id": "mp-1183904",
"created_at": "2022-09-04T14:41:11.675372Z",
"structure_string": "Eu2 Ag1 Pt1\n1.0\n0.000000 3.700618 3.700618\n3.700618 0.000000 3.700618\n3.700618 3.700618 0.000000\nEu Ag Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"density": 9.942584702645332,
"density_atomic": 0.039464556344560045,
"volume": 101.35677099918485,
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"formula_full": "Eu2 Ag1 Pt1",
"formula_reduced": "Eu2AgPt",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:22.578000Z",
"spacegroup": 225
},
{
"id": "mp-866051",
"created_at": "2022-09-04T14:45:25.249678Z",
"structure_string": "Hf1 Fe2 Sn1\n1.0\n0.000000 3.106635 3.106635\n3.106635 0.000000 3.106635\n3.106635 3.106635 0.000000\nHf Fe Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Hf\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 11.322827703264347,
"density_atomic": 0.0667051405061015,
"volume": 59.96539351617318,
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"formula_full": "Hf1 Fe2 Sn1",
"formula_reduced": "HfFe2Sn",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:37:08.262000Z",
"spacegroup": 225
},
{
"id": "mp-1027841",
"created_at": "2022-09-04T14:42:19.539099Z",
"structure_string": "Mg14 Zr1 Cd1\n1.0\n6.408307 0.000000 -0.000000\n-3.204154 5.549756 0.000000\n-0.000000 0.000000 10.166263\nMg Zr Cd\n14 1 1\ndirect\n0.171968 0.835983 0.125000 Mg\n0.165230 0.832614 0.625000 Mg\n0.664017 0.328032 0.125000 Mg\n0.667386 0.334770 0.625000 Mg\n0.664017 0.835983 0.125000 Mg\n0.667386 0.832614 0.625000 Mg\n0.330463 0.169537 0.375072 Mg\n0.330463 0.169537 0.874928 Mg\n0.330463 0.660928 0.375072 Mg\n0.330463 0.660928 0.874928 Mg\n0.839072 0.169537 0.375072 Mg\n0.839072 0.169537 0.874928 Mg\n0.833333 0.666667 0.372587 Mg\n0.833333 0.666667 0.877413 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zr",
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],
"chemical_system": "Cd-Mg-Zr",
"density": 2.498006761016444,
"density_atomic": 0.044252870157755836,
"volume": 361.558469382032,
"volume_molar": 13.608474972429669,
"formula_full": "Mg14 Zr1 Cd1",
"formula_reduced": "Mg14ZrCd",
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"energy": -31.90511792,
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"updated_at": "2021-11-28T01:35:48.030000Z",
"spacegroup": 187
},
{
"id": "mp-1022647",
"created_at": "2022-09-04T14:42:49.709843Z",
"structure_string": "Mg12 Zn2 Si2\n1.0\n4.978844 0.000000 0.000000\n0.000000 6.096157 0.000000\n0.000000 0.000000 10.701279\nMg Zn Si\n12 2 2\ndirect\n0.000000 0.256969 0.089233 Mg\n0.000000 0.743031 0.089233 Mg\n0.000000 0.000000 0.333703 Mg\n0.500000 0.743674 0.409483 Mg\n0.500000 0.256326 0.409483 Mg\n0.500000 0.000000 0.164264 Mg\n0.000000 0.756969 0.589233 Mg\n0.000000 0.243031 0.589233 Mg\n0.000000 0.500000 0.833703 Mg\n0.500000 0.243674 0.909483 Mg\n0.500000 0.756326 0.909483 Mg\n0.500000 0.500000 0.664264 Mg\n0.000000 0.500000 0.346321 Zn\n0.000000 0.000000 0.846321 Zn\n0.500000 0.500000 0.158280 Si\n0.500000 0.000000 0.658280 Si\n",
"nsites": 16,
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"elements": [
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"Zn",
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],
"chemical_system": "Mg-Si-Zn",
"density": 2.4470672470073294,
"density_atomic": 0.049260592762567904,
"volume": 324.8032372878401,
"volume_molar": 12.225067589069086,
"formula_full": "Mg12 Zn2 Si2",
"formula_reduced": "Mg6ZnSi",
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"updated_at": "2021-11-28T01:35:53.722000Z",
"spacegroup": 38
},
{
"id": "mp-1181874",
"created_at": "2022-09-04T14:44:27.645446Z",
"structure_string": "Cd1 Ga1 Cu3 Se4\n1.0\n5.903725 0.000000 0.000000\n0.000000 5.903725 0.000000\n0.000000 0.000000 5.903725\nCd Ga Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.240014 0.240014 0.240014 Se\n0.759986 0.759986 0.240014 Se\n0.240014 0.759986 0.759986 Se\n0.759986 0.240014 0.759986 Se\n",
"nsites": 9,
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"Cu",
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],
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"density": 5.557063065737977,
"density_atomic": 0.04373852678296711,
"volume": 205.76824740024915,
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"formula_full": "Cd1 Ga1 Cu3 Se4",
"formula_reduced": "CdGaCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -33.78909943,
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"updated_at": "2021-11-28T01:36:34.513000Z",
"spacegroup": 215
},
{
"id": "mp-1187652",
"created_at": "2022-09-04T14:41:10.997526Z",
"structure_string": "Tm1 Ru3\n1.0\n-1.991934 1.991934 4.085743\n1.991934 -1.991934 4.085743\n1.991934 1.991934 -4.085743\nTm Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
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"spacegroup": 139
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{
"id": "mp-1111607",
"created_at": "2022-09-04T14:46:55.769788Z",
"structure_string": "Na3 Sb1 Cl6\n1.0\n0.000000 5.345219 5.345219\n5.345219 0.000000 5.345219\n5.345219 5.345219 0.000000\nNa Sb Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Sb\n0.752941 0.247059 0.247059 Cl\n0.247059 0.247059 0.752941 Cl\n0.247059 0.752941 0.752941 Cl\n0.247059 0.752941 0.247059 Cl\n0.752941 0.247059 0.752941 Cl\n0.752941 0.752941 0.247059 Cl\n",
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"volume": 305.4404184869803,
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"formula_full": "Na3 Sb1 Cl6",
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{
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"created_at": "2022-09-04T14:39:41.392493Z",
"structure_string": "Zn1 Co3 C1\n1.0\n3.737939 0.000000 0.000000\n0.000000 3.737939 0.000000\n0.000000 0.000000 3.737939\nZn Co C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
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"volume": 52.22718631987507,
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{
"id": "mp-1226788",
"created_at": "2022-09-04T14:39:07.305889Z",
"structure_string": "Cd2 Ge2 As2 P2\n1.0\n-2.947913 2.972904 5.621362\n2.947913 -2.972904 5.621362\n2.947913 2.972904 -5.621362\nCd Ge As P\n2 2 2 2\ndirect\n0.869700 0.619700 0.250000 Cd\n0.630300 0.880300 0.750000 Cd\n0.369870 0.119870 0.250000 Ge\n0.130130 0.380130 0.750000 Ge\n0.250000 0.473127 0.223127 As\n0.750000 0.026873 0.276873 As\n0.467074 0.250000 0.717074 P\n0.032926 0.750000 0.782926 P\n",
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"density": 4.903373004818047,
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"volume": 197.05937113551224,
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"energy": -31.89964959,
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}
]
}