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"results": [
{
"id": "mp-1147624",
"created_at": "2022-09-04T14:47:06.023762Z",
"structure_string": "Bi2 C2 N2 O2\n1.0\n3.944907 0.000000 0.000000\n0.000000 3.944907 0.000000\n0.000000 0.000000 7.619194\nBi C N O\n2 2 2 2\ndirect\n0.000000 0.500000 0.835877 Bi\n0.500000 0.000000 0.164123 Bi\n0.500000 0.000000 0.547889 C\n0.000000 0.500000 0.452111 C\n0.000000 0.500000 0.295841 N\n0.500000 0.000000 0.704159 N\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"structure_string": "Er2 Zn2 Ga2\n1.0\n2.201510 -3.813127 0.000000\n2.201510 3.813127 0.000000\n0.000000 0.000000 7.062408\nEr Zn Ga\n2 2 2\ndirect\n0.000000 0.000000 0.499658 Er\n0.000000 0.000000 0.999658 Er\n0.666667 0.333333 0.213480 Zn\n0.333333 0.666667 0.713480 Zn\n0.666667 0.333333 0.780662 Ga\n0.333333 0.666667 0.280662 Ga\n",
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"spacegroup": 186
},
{
"id": "mp-570198",
"created_at": "2022-09-04T14:40:20.032991Z",
"structure_string": "Ba1 Zn2 As2\n1.0\n-2.082602 2.082602 6.834590\n2.082602 -2.082602 6.834590\n2.082602 2.082602 -6.834590\nBa Zn As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.635927 0.635927 0.000000 As\n0.364073 0.364073 0.000000 As\n",
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"density_atomic": 0.042168192321672834,
"volume": 118.57278495265712,
"volume_molar": 14.281240025802223,
"formula_full": "Ba1 Zn2 As2",
"formula_reduced": "Ba(ZnAs)2",
"formula_anonymous": "AB2C2",
"energy": -16.96320943,
"energy_per_atom": -3.392641886,
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"updated_at": "2021-11-28T01:34:57.070000Z",
"spacegroup": 139
},
{
"id": "mp-1147573",
"created_at": "2022-09-04T14:42:14.659476Z",
"structure_string": "Ga2 Co1 S2 O2\n1.0\n-1.886226 1.886226 8.332635\n1.886226 -1.886226 8.332635\n1.886226 1.886226 -8.332635\nGa Co S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.855779 0.855779 0.000000 S\n0.144221 0.144221 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
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"O"
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"density_atomic": 0.05902938197415488,
"volume": 118.58501251232553,
"volume_molar": 10.20193767679408,
"formula_full": "Ga2 Co1 S2 O2",
"formula_reduced": "Ga2Co(SO)2",
"formula_anonymous": "AB2C2D2",
"energy": -33.16898602,
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"updated_at": "2021-11-28T01:35:48.121000Z",
"spacegroup": 139
},
{
"id": "mp-1224836",
"created_at": "2022-09-04T14:46:02.289894Z",
"structure_string": "Ga1 Ge3 Rh4\n1.0\n0.028536 4.913146 -0.028536\n-0.028536 -0.028536 4.913146\n4.913146 0.028536 -0.028536\nGa Ge Rh\n1 3 4\ndirect\n0.159551 0.340449 0.659551 Ga\n0.334687 0.658118 0.161060 Ge\n0.661060 0.165313 0.341882 Ge\n0.841882 0.838940 0.834687 Ge\n0.862344 0.637656 0.362344 Rh\n0.636494 0.365154 0.869136 Rh\n0.369136 0.863506 0.634846 Rh\n0.134846 0.130864 0.136494 Rh\n",
"nsites": 8,
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"elements": [
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"Ge",
"Rh"
],
"chemical_system": "Ga-Ge-Rh",
"density": 9.791645063381495,
"density_atomic": 0.06746130850423815,
"volume": 118.5864931673748,
"volume_molar": 8.926806926108865,
"formula_full": "Ga1 Ge3 Rh4",
"formula_reduced": "GaGe3Rh4",
"formula_anonymous": "AB3C4",
"energy": -50.71145598,
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"updated_at": "2021-11-28T01:37:16.552000Z",
"spacegroup": 146
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{
"id": "mp-1025218",
"created_at": "2022-09-04T14:48:15.635157Z",
"structure_string": "Si1 Pt5 Pb1\n1.0\n4.030601 0.000000 0.000000\n0.000000 4.030601 0.000000\n0.000000 0.000000 7.299561\nSi Pt Pb\n1 5 1\ndirect\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.696929 Pt\n0.000000 0.500000 0.696929 Pt\n0.500000 0.000000 0.303071 Pt\n0.000000 0.500000 0.303071 Pt\n0.500000 0.500000 0.000000 Pb\n",
"nsites": 7,
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"elements": [
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"Pt",
"Pb"
],
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"density": 16.953183156380714,
"density_atomic": 0.05902849101878797,
"volume": 118.58680239296639,
"volume_molar": 10.202091661267836,
"formula_full": "Si1 Pt5 Pb1",
"formula_reduced": "SiPt5Pb",
"formula_anonymous": "ABC5",
"energy": -42.0841764,
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"updated_at": "2021-11-28T01:38:38.464000Z",
"spacegroup": 123
},
{
"id": "mp-858",
"created_at": "2022-09-04T14:41:21.011083Z",
"structure_string": "Tm2 Al4\n1.0\n0.000000 3.899485 3.899485\n3.899485 0.000000 3.899485\n3.899485 3.899485 0.000000\nTm Al\n2 4\ndirect\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Tm\n0.125000 0.625000 0.125000 Al\n0.125000 0.125000 0.625000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.125000 0.125000 Al\n",
"nsites": 6,
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"elements": [
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"Al"
],
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"density": 6.242120066991949,
"density_atomic": 0.0505940554541259,
"volume": 118.59100730599181,
"volume_molar": 11.902862314447852,
"formula_full": "Tm2 Al4",
"formula_reduced": "TmAl2",
"formula_anonymous": "AB2",
"energy": -26.92760285,
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{
"id": "mp-865102",
"created_at": "2022-09-04T14:44:30.345204Z",
"structure_string": "Na1 La1 Tl2\n1.0\n0.000000 3.899599 3.899599\n3.899599 0.000000 3.899599\n3.899599 3.899599 0.000000\nNa La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Tl\n0.250000 0.250000 0.250000 Tl\n",
"nsites": 4,
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"elements": [
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"La",
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],
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"density": 7.989840001953785,
"density_atomic": 0.033726412278753205,
"volume": 118.60140850261442,
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"formula_full": "Na1 La1 Tl2",
"formula_reduced": "NaLaTl2",
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"updated_at": "2021-11-28T01:36:41.397000Z",
"spacegroup": 225
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{
"id": "mp-1898",
"created_at": "2022-09-04T14:41:16.658479Z",
"structure_string": "Ce2 Si4\n1.0\n-2.047192 2.047192 7.075325\n2.047192 -2.047192 7.075325\n2.047192 2.047192 -7.075325\nCe Si\n2 4\ndirect\n0.750000 0.250000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.166496 0.666496 0.500000 Si\n0.583504 0.583504 0.000000 Si\n0.333504 0.833504 0.500000 Si\n0.416496 0.416496 0.000000 Si\n",
"nsites": 6,
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"volume": 118.6106091952615,
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"formula_full": "Ce2 Si4",
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{
"id": "mp-1186261",
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"density": 8.506870576999498,
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"volume": 118.6200226881153,
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"formula_full": "Nd2 Tl1 In1",
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{
"id": "mp-1217194",
"created_at": "2022-09-04T14:41:06.189085Z",
"structure_string": "Ti2 Ag1 Bi1 O6\n1.0\n-2.735763 2.735763 3.962372\n2.735763 -2.735763 3.962372\n2.735763 2.735763 -3.962372\nTi Ag Bi O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Ti\n0.750000 0.250000 0.500000 Ti\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 Bi\n0.955624 0.567342 0.000000 O\n0.567342 0.955624 0.000000 O\n0.432658 0.432658 0.388282 O\n0.044376 0.044376 0.611718 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"volume": 118.62389518349225,
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"formula_full": "Ti2 Ag1 Bi1 O6",
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"formula_anonymous": "ABC2D6",
"energy": -76.85268231,
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{
"id": "mp-1185245",
"created_at": "2022-09-04T14:43:16.972835Z",
"structure_string": "Li1 Y3\n1.0\n0.000000 3.899852 3.899852\n3.899852 0.000000 3.899852\n3.899852 3.899852 0.000000\nLi Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Y\n",
"nsites": 4,
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"elements": [
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"density": 3.830749432401621,
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"volume": 118.62449403254712,
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"formula_full": "Li1 Y3",
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"formula_anonymous": "AB3",
"energy": -20.53680331,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:03.685000Z",
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}
]
}