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{
"id": "mp-12049",
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"structure_string": "Nd4 Sb2\n1.0\n-2.291659 2.291659 8.887438\n2.291659 -2.291659 8.887438\n2.291659 2.291659 -8.887438\nNd Sb\n4 2\ndirect\n0.179019 0.179019 0.000000 Nd\n0.820981 0.820981 0.000000 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.638377 0.638377 0.000000 Sb\n0.361623 0.361623 0.000000 Sb\n",
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{
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{
"id": "mp-1094607",
"created_at": "2022-09-04T14:41:51.071331Z",
"structure_string": "Li4 Mg2\n1.0\n2.699111 4.553562 0.000000\n-2.699111 4.553562 0.000000\n0.000000 3.477162 4.961516\nLi Mg\n4 2\ndirect\n0.249620 0.419801 0.247514 Li\n0.580199 0.750380 0.252486 Li\n0.419801 0.249620 0.747514 Li\n0.750380 0.580199 0.752486 Li\n0.086932 0.913068 0.750000 Mg\n0.913068 0.086932 0.250000 Mg\n",
"nsites": 6,
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"Mg"
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"density": 1.0398680702316045,
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"volume": 121.95971229721664,
"volume_molar": 12.240975908382358,
"formula_full": "Li4 Mg2",
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"formula_anonymous": "AB2",
"energy": -11.01796263,
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"updated_at": "2021-11-28T01:35:28.297000Z",
"spacegroup": 15
},
{
"id": "mp-1071876",
"created_at": "2022-09-04T14:41:54.275597Z",
"structure_string": "Ca2 Ag2 Bi2\n1.0\n2.458627 -4.258467 0.000000\n2.458627 4.258467 0.000000\n0.000000 0.000000 8.058034\nCa Ag Bi\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n0.333333 0.666667 0.750000 Bi\n0.666667 0.333333 0.250000 Bi\n",
"nsites": 6,
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"density_atomic": 0.035558728767768666,
"volume": 168.73494098131405,
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"formula_full": "Ca2 Ag2 Bi2",
"formula_reduced": "CaAgBi",
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"updated_at": "2021-11-28T01:35:31.700000Z",
"spacegroup": 194
},
{
"id": "mp-569008",
"created_at": "2022-09-04T14:42:18.566492Z",
"structure_string": "Pd2 Cl4\n1.0\n3.410757 0.000000 0.000000\n0.000000 4.422549 0.000000\n0.000000 0.000000 11.579049\nPd Cl\n2 4\ndirect\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.844683 0.876221 Cl\n0.500000 0.344683 0.623779 Cl\n0.000000 0.155317 0.123779 Cl\n0.500000 0.655317 0.376221 Cl\n",
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"volume": 174.66115361988534,
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"formula_full": "Pd2 Cl4",
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"formula_anonymous": "AB2",
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"spacegroup": 58
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{
"id": "mp-1215253",
"created_at": "2022-09-04T14:41:57.107646Z",
"structure_string": "Zr1 Co4 Si1\n1.0\n0.000000 3.352712 3.352712\n3.352712 0.000000 3.352712\n3.352712 3.352712 0.000000\nZr Co Si\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.623457 0.623457 0.129628 Co\n0.623457 0.129628 0.623457 Co\n0.129628 0.623457 0.623457 Co\n0.623457 0.623457 0.623457 Co\n0.250000 0.250000 0.250000 Si\n",
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"Si"
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"density": 7.8218670345964645,
"density_atomic": 0.07960356322287357,
"volume": 75.37351039426761,
"volume_molar": 7.565164819493377,
"formula_full": "Zr1 Co4 Si1",
"formula_reduced": "ZrCo4Si",
"formula_anonymous": "ABC4",
"energy": -43.58417499,
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"updated_at": "2021-11-28T01:35:34.365000Z",
"spacegroup": 216
},
{
"id": "mp-31422",
"created_at": "2022-09-04T14:41:48.857564Z",
"structure_string": "Tb2 Ag2 Sn2\n1.0\n2.376005 -4.115361 0.000000\n2.376005 4.115361 0.000000\n0.000000 0.000000 7.440610\nTb Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.726623 Tb\n0.000000 0.000000 0.226623 Tb\n0.666667 0.333333 0.538523 Ag\n0.333333 0.666667 0.038523 Ag\n0.333333 0.666667 0.446854 Sn\n0.666667 0.333333 0.946854 Sn\n",
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"density": 8.79860152846569,
"density_atomic": 0.041234185973552655,
"volume": 145.51032979888004,
"volume_molar": 14.604728134714634,
"formula_full": "Tb2 Ag2 Sn2",
"formula_reduced": "TbAgSn",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:26.831000Z",
"spacegroup": 186
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{
"id": "mp-1219999",
"created_at": "2022-09-04T14:41:57.765694Z",
"structure_string": "Pr2 Ge2 Pd2\n1.0\n2.264420 5.284256 0.000000\n-2.264420 5.284256 0.000000\n0.000000 5.098286 5.483861\nPr Ge Pd\n2 2 2\ndirect\n0.537403 0.537403 0.701886 Pr\n0.462597 0.462597 0.298114 Pr\n0.839605 0.839605 0.108579 Ge\n0.160395 0.160395 0.891421 Ge\n0.183079 0.183079 0.273558 Pd\n0.816921 0.816921 0.726442 Pd\n",
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"density": 8.097070110169339,
"density_atomic": 0.0457187118421623,
"volume": 131.2372934021893,
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"formula_full": "Pr2 Ge2 Pd2",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:33.070000Z",
"spacegroup": 12
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{
"id": "mp-1220340",
"created_at": "2022-09-04T14:41:57.037230Z",
"structure_string": "Nd2 Ge3 Pd1\n1.0\n4.195079 0.000000 0.000000\n0.000000 4.348099 0.000000\n0.000000 0.000000 7.381423\nNd Ge Pd\n2 3 1\ndirect\n0.000000 0.500000 0.996938 Nd\n0.000000 0.000000 0.501232 Nd\n0.500000 0.000000 0.835499 Ge\n0.500000 0.000000 0.173233 Ge\n0.500000 0.500000 0.662231 Ge\n0.500000 0.500000 0.330867 Pd\n",
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"volume": 134.64172318013823,
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"formula_full": "Nd2 Ge3 Pd1",
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"updated_at": "2021-11-28T01:35:34.163000Z",
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{
"id": "mp-1039631",
"created_at": "2022-09-04T14:41:58.160212Z",
"structure_string": "Ce4 Mg2\n1.0\n5.869973 -2.891374 0.000000\n5.869973 2.891374 0.000000\n4.445768 0.000000 4.801226\nCe Mg\n4 2\ndirect\n0.000000 0.696956 0.303044 Ce\n0.696956 0.303044 0.000000 Ce\n0.500000 0.500000 0.500000 Ce\n0.303044 0.000000 0.696956 Ce\n0.829489 0.829489 0.829489 Mg\n0.170511 0.170511 0.170511 Mg\n",
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{
"id": "mp-1018941",
"created_at": "2022-09-04T14:41:57.296098Z",
"structure_string": "Pr2 Te2 Cl2\n1.0\n4.510514 0.000000 0.000000\n0.000000 4.510514 0.000000\n0.000000 0.000000 8.293609\nPr Te Cl\n2 2 2\ndirect\n0.000000 0.500000 0.760038 Pr\n0.500000 0.000000 0.239962 Pr\n0.000000 0.500000 0.365017 Te\n0.500000 0.000000 0.634983 Te\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.000000 Cl\n",
"nsites": 6,
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"updated_at": "2021-11-28T01:35:29.825000Z",
"spacegroup": 129
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{
"id": "mp-1224337",
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"structure_string": "Hf1 Sc1 Ge4\n1.0\n1.929587 -7.525759 0.000000\n1.929587 7.525759 0.000000\n0.000000 0.000000 3.806444\nHf Sc Ge\n1 1 4\ndirect\n0.104439 0.895561 0.000000 Hf\n0.896716 0.103284 0.500000 Sc\n0.440568 0.559432 0.000000 Ge\n0.559518 0.440482 0.500000 Ge\n0.748852 0.251148 0.000000 Ge\n0.249908 0.750092 0.500000 Ge\n",
"nsites": 6,
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"volume": 110.55136562720679,
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"formula_full": "Hf1 Sc1 Ge4",
"formula_reduced": "HfScGe4",
"formula_anonymous": "ABC4",
"energy": -38.01914087,
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}
]
}