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{
"id": "mp-27760",
"created_at": "2022-09-04T14:39:10.667332Z",
"structure_string": "Pr2 Si4\n1.0\n-2.114961 2.114961 7.081787\n2.114961 -2.114961 7.081787\n2.114961 2.114961 -7.081787\nPr Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.166184 0.666184 0.500000 Si\n0.583816 0.583816 0.000000 Si\n0.333816 0.833816 0.500000 Si\n0.416184 0.416184 0.000000 Si\n",
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{
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"spacegroup": 139
},
{
"id": "mp-1038789",
"created_at": "2022-09-04T14:39:12.084179Z",
"structure_string": "Mg4 Bi2\n1.0\n1.794857 -7.873700 0.000000\n1.794857 7.873700 0.000000\n0.000000 0.000000 5.595164\nMg Bi\n4 2\ndirect\n0.609112 0.390888 0.250000 Mg\n0.947294 0.052706 0.250000 Mg\n0.052706 0.947294 0.750000 Mg\n0.390888 0.609112 0.750000 Mg\n0.282908 0.717092 0.250000 Bi\n0.717092 0.282908 0.750000 Bi\n",
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"volume": 158.14356797677496,
"volume_molar": 15.872713777412788,
"formula_full": "Mg4 Bi2",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:34:36.930000Z",
"spacegroup": 63
},
{
"id": "mp-1219074",
"created_at": "2022-09-04T14:39:16.881207Z",
"structure_string": "Sm1 Dy1 C4\n1.0\n-3.712374 0.000000 0.000000\n-1.856187 1.883271 -3.152474\n-1.856187 -5.604914 -3.125795\nSm Dy C\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.500000 0.500000 Dy\n0.596962 0.598771 0.207305 C\n0.609322 0.090555 0.690801 C\n0.403038 0.401229 0.792695 C\n0.390678 0.909445 0.309199 C\n",
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"volume": 87.4489222559219,
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"formula_full": "Sm1 Dy1 C4",
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"formula_anonymous": "ABC4",
"energy": -47.2569963,
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"updated_at": "2021-11-28T01:34:40.515000Z",
"spacegroup": 12
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{
"id": "mp-1219430",
"created_at": "2022-09-04T14:40:11.717382Z",
"structure_string": "Sc2 Al1 Co3\n1.0\n4.075460 -2.548717 0.000000\n4.075460 2.548717 0.000000\n2.481540 0.000000 4.116709\nSc Al Co\n2 1 3\ndirect\n0.627070 0.627070 0.627070 Sc\n0.372930 0.372930 0.372930 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n",
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"volume": 85.5221115707923,
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"formula_full": "Sc2 Al1 Co3",
"formula_reduced": "Sc2AlCo3",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:34:56.174000Z",
"spacegroup": 166
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{
"id": "mp-1225433",
"created_at": "2022-09-04T14:39:11.490818Z",
"structure_string": "Eu2 Ge3 Au1\n1.0\n-2.193844 -3.802364 0.000000\n-2.196854 3.804102 0.000000\n0.000000 0.000000 -8.724132\nEu Ge Au\n2 3 1\ndirect\n0.999993 0.999982 0.004930 Eu\n0.999993 0.999982 0.495070 Eu\n0.333250 0.666638 0.750000 Ge\n0.666474 0.333323 0.250000 Ge\n0.666650 0.333347 0.750000 Ge\n0.333440 0.666727 0.250000 Au\n",
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"density": 8.193270797013003,
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"volume": 145.68292725060368,
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"formula_full": "Eu2 Ge3 Au1",
"formula_reduced": "Eu2Ge3Au",
"formula_anonymous": "AB2C3",
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"updated_at": "2021-11-28T01:34:37.995000Z",
"spacegroup": 187
},
{
"id": "mp-570172",
"created_at": "2022-09-04T14:39:19.351504Z",
"structure_string": "Hg2 I2 Br2\n1.0\n2.621290 -3.705390 0.000000\n2.621290 3.705390 0.000000\n0.000000 0.000000 13.655510\nHg I Br\n2 2 2\ndirect\n0.825666 0.174334 0.502750 Hg\n0.174334 0.825666 0.002750 Hg\n0.904676 0.095324 0.129599 I\n0.095324 0.904676 0.629599 I\n0.577492 0.422508 0.379651 Br\n0.422508 0.577492 0.879651 Br\n",
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],
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"density": 5.100486127305493,
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"volume": 265.2692540369492,
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"formula_full": "Hg2 I2 Br2",
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"spacegroup": 36
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{
"id": "mp-1215605",
"created_at": "2022-09-04T14:39:19.248745Z",
"structure_string": "Yb2 Ag2 Sn2\n1.0\n2.356720 -4.081958 0.000000\n2.356720 4.081958 0.000000\n0.000000 0.000000 8.308147\nYb Ag Sn\n2 2 2\ndirect\n0.000000 0.000000 0.285082 Yb\n0.000000 0.000000 0.714918 Yb\n0.666667 0.333333 0.467938 Ag\n0.333333 0.666667 0.532062 Ag\n0.333333 0.666667 0.924421 Sn\n0.666667 0.333333 0.075579 Sn\n",
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"volume": 159.84928096116516,
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"formula_full": "Yb2 Ag2 Sn2",
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"formula_anonymous": "ABC",
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"spacegroup": 164
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{
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"structure_string": "Sr2 F4\n1.0\n2.075840 -3.595460 0.000000\n2.075840 3.595460 0.000000\n0.000000 0.000000 5.871488\nSr F\n2 4\ndirect\n0.333333 0.666667 0.250000 Sr\n0.666667 0.333333 0.750000 Sr\n0.000000 0.000000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.333333 0.666667 0.750000 F\n0.666667 0.333333 0.250000 F\n",
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"updated_at": "2021-11-28T01:34:41.788000Z",
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{
"id": "mp-1034",
"created_at": "2022-09-04T14:39:12.124055Z",
"structure_string": "Th4 Cu2\n1.0\n-3.636506 3.636506 2.889997\n3.636506 -3.636506 2.889997\n3.636506 3.636506 -2.889997\nTh Cu\n4 2\ndirect\n0.160705 0.660705 0.821411 Th\n0.839295 0.339295 0.178589 Th\n0.339295 0.160705 0.500000 Th\n0.660705 0.839295 0.500000 Th\n0.250000 0.250000 0.000000 Cu\n0.750000 0.750000 0.000000 Cu\n",
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{
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"structure_string": "Ca2 Mg4\n1.0\n2.953969 5.115377 0.000000\n-2.953969 5.115377 0.000000\n0.000000 3.164521 5.649273\nCa Mg\n2 4\ndirect\n0.090774 0.909226 0.250000 Ca\n0.909226 0.090774 0.750000 Ca\n0.253594 0.417225 0.748640 Mg\n0.582775 0.746406 0.751360 Mg\n0.417225 0.253594 0.248640 Mg\n0.746406 0.582775 0.251360 Mg\n",
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{
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"created_at": "2022-09-04T14:39:12.035613Z",
"structure_string": "Eu2 Pt4\n1.0\n0.000000 3.915652 3.915652\n3.915652 0.000000 3.915652\n3.915652 3.915652 0.000000\nEu Pt\n2 4\ndirect\n0.250000 0.250000 0.250000 Eu\n0.000000 0.000000 0.000000 Eu\n0.625000 0.125000 0.625000 Pt\n0.625000 0.625000 0.125000 Pt\n0.125000 0.625000 0.625000 Pt\n0.625000 0.625000 0.625000 Pt\n",
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"formula_full": "Eu2 Pt4",
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]
}