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{
"id": "mp-1179735",
"created_at": "2022-09-04T14:43:07.911880Z",
"structure_string": "Rh4 N12 Cl24 O4\n1.0\n6.910900 0.000000 0.000000\n0.000000 11.803874 0.000000\n0.000000 0.000000 13.667397\nRh N Cl O\n4 12 24 4\ndirect\n0.250000 0.730334 0.595415 Rh\n0.250000 0.230334 0.904585 Rh\n0.750000 0.269666 0.404585 Rh\n0.750000 0.769666 0.095415 Rh\n0.250000 0.973205 0.031997 N\n0.250000 0.473205 0.468003 N\n0.750000 0.026795 0.968003 N\n0.750000 0.526795 0.531997 N\n0.250000 0.501705 0.797159 N\n0.250000 0.001705 0.702841 N\n0.750000 0.498295 0.202841 N\n0.750000 0.998295 0.297159 N\n0.250000 0.607770 0.129501 N\n0.250000 0.107770 0.370499 N\n0.750000 0.392230 0.870499 N\n0.750000 0.892230 0.629501 N\n0.250000 0.873967 0.741952 Cl\n0.250000 0.373967 0.758048 Cl\n0.750000 0.126033 0.258048 Cl\n0.750000 0.626033 0.241952 Cl\n0.250000 0.604737 0.455345 Cl\n0.250000 0.104737 0.044655 Cl\n0.750000 0.395263 0.544655 Cl\n0.750000 0.895263 0.955345 Cl\n0.012821 0.627455 0.673270 Cl\n0.487179 0.127455 0.826730 Cl\n0.512821 0.372545 0.326730 Cl\n0.987179 0.872545 0.173270 Cl\n0.987179 0.372545 0.326730 Cl\n0.512821 0.872545 0.173270 Cl\n0.487179 0.627455 0.673270 Cl\n0.012821 0.127455 0.826730 Cl\n0.012717 0.842040 0.514444 Cl\n0.487283 0.342040 0.985556 Cl\n0.512717 0.157960 0.485556 Cl\n0.987283 0.657960 0.014444 Cl\n0.987283 0.157960 0.485556 Cl\n0.512717 0.657960 0.014444 Cl\n0.487283 0.842040 0.514444 Cl\n0.012717 0.342040 0.985556 Cl\n0.250000 0.013081 0.354929 O\n0.250000 0.513081 0.145071 O\n0.750000 0.986919 0.645071 O\n0.750000 0.486919 0.854929 O\n",
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"formula_full": "Rh4 N12 Cl24 O4",
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},
{
"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",
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"volume": 101.35677099918485,
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"formula_full": "Eu2 Ag1 Pt1",
"formula_reduced": "Eu2AgPt",
"formula_anonymous": "ABC2",
"energy": -31.9057556,
"energy_per_atom": -7.9764389,
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"updated_at": "2021-11-28T01:35:22.578000Z",
"spacegroup": 225
},
{
"id": "mp-1225852",
"created_at": "2022-09-04T14:42:09.866376Z",
"structure_string": "Dy4 Ga4 Se12\n1.0\n3.934719 0.000000 0.000000\n0.000000 7.923808 0.000000\n0.000000 0.000000 16.254568\nDy Ga Se\n4 4 12\ndirect\n0.250000 0.762173 0.455637 Dy\n0.250000 0.262173 0.044363 Dy\n0.750000 0.237827 0.544363 Dy\n0.750000 0.737827 0.955637 Dy\n0.250000 0.249455 0.820177 Ga\n0.250000 0.749455 0.679823 Ga\n0.750000 0.750545 0.179823 Ga\n0.750000 0.250545 0.320177 Ga\n0.250000 0.003576 0.592396 Se\n0.250000 0.503576 0.907604 Se\n0.750000 0.996424 0.407604 Se\n0.750000 0.496424 0.092396 Se\n0.250000 0.232770 0.227597 Se\n0.250000 0.732770 0.272403 Se\n0.750000 0.767230 0.772403 Se\n0.750000 0.267230 0.727597 Se\n0.250000 0.391374 0.429462 Se\n0.250000 0.891374 0.070538 Se\n0.750000 0.608626 0.570538 Se\n0.750000 0.108626 0.929462 Se\n",
"nsites": 20,
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],
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"formula_full": "Dy4 Ga4 Se12",
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},
{
"id": "mp-1192818",
"created_at": "2022-09-04T14:48:18.746614Z",
"structure_string": "Ce6 Mg23 Sn1\n1.0\n0.000000 7.243743 7.243743\n7.243743 0.000000 7.243743\n7.243743 7.243743 0.000000\nCe Mg Sn\n6 23 1\ndirect\n0.782435 0.782435 0.217565 Ce\n0.217565 0.782435 0.217565 Ce\n0.782435 0.217565 0.217565 Ce\n0.217565 0.217565 0.782435 Ce\n0.782435 0.217565 0.782435 Ce\n0.217565 0.782435 0.782435 Ce\n0.830893 0.830893 0.507322 Mg\n0.830893 0.507322 0.830893 Mg\n0.507322 0.830893 0.830893 Mg\n0.830893 0.830893 0.830893 Mg\n0.169107 0.169107 0.492678 Mg\n0.169107 0.492678 0.169107 Mg\n0.492678 0.169107 0.169107 Mg\n0.169107 0.169107 0.169107 Mg\n0.621377 0.621377 0.135870 Mg\n0.621377 0.135870 0.621377 Mg\n0.135870 0.621377 0.621377 Mg\n0.621377 0.621377 0.621377 Mg\n0.378623 0.378623 0.864130 Mg\n0.378623 0.864130 0.378623 Mg\n0.864130 0.378623 0.378623 Mg\n0.378623 0.378623 0.378623 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sn\n",
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"elements": [
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],
"chemical_system": "Ce-Mg-Sn",
"density": 3.3168222828374687,
"density_atomic": 0.03946409593265862,
"volume": 760.1846511622078,
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"formula_full": "Ce6 Mg23 Sn1",
"formula_reduced": "Ce6Mg23Sn",
"formula_anonymous": "AB6C23",
"energy": -77.70552971,
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"updated_at": "2021-11-28T01:38:58.016000Z",
"spacegroup": 225
},
{
"id": "mp-1185427",
"created_at": "2022-09-04T14:40:59.243040Z",
"structure_string": "Lu3 Al1\n1.0\n4.662507 0.000000 0.000000\n0.000000 4.662507 0.000000\n0.000000 0.000000 4.662507\nLu Al\n3 1\ndirect\n0.000000 0.500000 0.500000 Lu\n0.500000 0.000000 0.500000 Lu\n0.500000 0.500000 0.000000 Lu\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
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],
"chemical_system": "Al-Lu",
"density": 9.041432831301847,
"density_atomic": 0.03946403619808339,
"volume": 101.35810690834163,
"volume_molar": 15.259819674229043,
"formula_full": "Lu3 Al1",
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"formula_anonymous": "AB3",
"energy": -18.08514207,
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"updated_at": "2021-11-28T01:35:13.678000Z",
"spacegroup": 221
},
{
"id": "mp-1223971",
"created_at": "2022-09-04T14:39:48.173647Z",
"structure_string": "In1 Cu1 Se2\n1.0\n-2.942416 -2.942416 0.000000\n0.000000 0.000000 -5.853743\n2.942416 -2.942416 0.000000\nIn Cu Se\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.500000 0.781164 0.000000 Se\n0.000000 0.218836 0.500000 Se\n",
"nsites": 4,
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"density": 5.509136182405155,
"density_atomic": 0.03946282733394164,
"volume": 101.36121180956629,
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"formula_full": "In1 Cu1 Se2",
"formula_reduced": "InCuSe2",
"formula_anonymous": "ABC2",
"energy": -16.50375286,
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"updated_at": "2021-11-28T01:34:31.357000Z",
"spacegroup": 115
},
{
"id": "mp-1111545",
"created_at": "2022-09-04T14:47:10.590312Z",
"structure_string": "Na2 Al1 Ag1 Cl6\n1.0\n0.000000 5.022591 5.022591\n5.022591 0.000000 5.022591\n5.022591 5.022591 0.000000\nNa Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.767377 0.232623 0.232623 Cl\n0.232623 0.232623 0.767377 Cl\n0.232623 0.767377 0.767377 Cl\n0.232623 0.767377 0.232623 Cl\n0.767377 0.232623 0.767377 Cl\n0.767377 0.767377 0.232623 Cl\n",
"nsites": 10,
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"volume": 253.403983657212,
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"formula_full": "Na2 Al1 Ag1 Cl6",
"formula_reduced": "Na2AlAgCl6",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-980905",
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"structure_string": "Zn1 Sn3\n1.0\n0.000000 3.700694 3.700694\n3.700694 0.000000 3.700694\n3.700694 3.700694 0.000000\nZn Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Sn\n",
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{
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"structure_string": "Ca2 Ga1 Si1\n1.0\n2.230424 -5.532218 0.000000\n2.230424 5.532218 0.000000\n0.000000 0.000000 4.107458\nCa Ga Si\n2 1 1\ndirect\n0.360374 0.639626 0.500000 Ca\n0.641130 0.358870 0.000000 Ca\n0.067756 0.932244 0.500000 Ga\n0.930741 0.069259 0.000000 Si\n",
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{
"id": "mp-981382",
"created_at": "2022-09-04T14:47:04.829634Z",
"structure_string": "Mg1 Hg5\n1.0\n5.810830 -2.804494 0.000000\n5.810830 2.804494 0.000000\n4.457290 0.000000 4.665136\nMg Hg\n1 5\ndirect\n0.000000 0.000000 0.000000 Mg\n0.157750 0.842250 0.500000 Hg\n0.500000 0.157750 0.842250 Hg\n0.842250 0.500000 0.157750 Hg\n0.661910 0.661910 0.661910 Hg\n0.338090 0.338090 0.338090 Hg\n",
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{
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{
"id": "mp-1062648",
"created_at": "2022-09-04T14:39:45.452644Z",
"structure_string": "Tb1 Hg2\n1.0\n2.176478 4.838576 0.000000\n-2.176478 4.838576 0.000000\n0.000000 0.824281 3.609666\nTb Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.332092 0.332092 0.639529 Hg\n0.667908 0.667908 0.360471 Hg\n",
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"updated_at": "2021-11-28T01:34:41.082000Z",
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}
]
}