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"results": [
{
"id": "mp-983123",
"created_at": "2022-09-04T14:41:20.427913Z",
"structure_string": "Hf1 Mg1 Au2\n1.0\n0.000000 3.351399 3.351399\n3.351399 0.000000 3.351399\n3.351399 3.351399 0.000000\nHf Mg Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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{
"id": "mp-983126",
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"structure_string": "Ho1 Tm1 Zn2\n1.0\n0.000000 3.542133 3.542133\n3.542133 0.000000 3.542133\n3.542133 3.542133 0.000000\nHo Tm Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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"density": 8.6812218514093,
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"spacegroup": 225
},
{
"id": "mp-983152",
"created_at": "2022-09-04T14:46:58.081775Z",
"structure_string": "Li6 Re2\n1.0\n2.707558 -4.689629 0.000000\n2.707558 4.689629 0.000000\n0.000000 0.000000 4.517163\nLi Re\n6 2\ndirect\n0.169600 0.339199 0.250000 Li\n0.660801 0.830400 0.250000 Li\n0.169600 0.830400 0.250000 Li\n0.830400 0.660801 0.750000 Li\n0.339199 0.169600 0.750000 Li\n0.830400 0.169600 0.750000 Li\n0.333333 0.666667 0.750000 Re\n0.666667 0.333333 0.250000 Re\n",
"nsites": 8,
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"elements": [
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"Re"
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"chemical_system": "Li-Re",
"density": 5.993773979894165,
"density_atomic": 0.06973936261029196,
"volume": 114.7128350556416,
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"formula_full": "Li6 Re2",
"formula_reduced": "Li3Re",
"formula_anonymous": "AB3",
"energy": -29.65459742,
"energy_per_atom": -3.7068246775,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:46.928000Z",
"spacegroup": 194
},
{
"id": "mp-983154",
"created_at": "2022-09-04T14:40:21.880516Z",
"structure_string": "Pm2 Zn1 Pt1\n1.0\n0.000000 3.621501 3.621501\n3.621501 0.000000 3.621501\n3.621501 3.621501 0.000000\nPm Zn Pt\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pm-Pt-Zn",
"density": 9.622880094865309,
"density_atomic": 0.0421079566627786,
"volume": 94.99392316834522,
"volume_molar": 14.301669416610004,
"formula_full": "Pm2 Zn1 Pt1",
"formula_reduced": "Pm2ZnPt",
"formula_anonymous": "ABC2",
"energy": -19.58538725,
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"updated_at": "2021-11-28T01:34:51.290000Z",
"spacegroup": 225
},
{
"id": "mp-983228",
"created_at": "2022-09-04T14:42:49.727982Z",
"structure_string": "Sr1 Eu2 Al2 O7\n1.0\n-1.881629 1.881629 9.963486\n1.881629 -1.881629 9.963486\n1.881629 1.881629 -9.963486\nSr Eu Al O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.317639 0.317639 0.000000 Eu\n0.682361 0.682361 0.000000 Eu\n0.904986 0.904986 0.000000 Al\n0.095014 0.095014 0.000000 Al\n0.000000 0.000000 0.000000 O\n0.398563 0.898563 0.500000 O\n0.898563 0.398563 0.500000 O\n0.799891 0.799891 0.000000 O\n0.200109 0.200109 0.000000 O\n0.101437 0.601437 0.500000 O\n0.601437 0.101437 0.500000 O\n",
"nsites": 12,
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"elements": [
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"Al",
"O"
],
"chemical_system": "Al-Eu-O-Sr",
"density": 6.560848729560523,
"density_atomic": 0.0850436603040374,
"volume": 141.10399243281756,
"volume_molar": 7.081234201903351,
"formula_full": "Sr1 Eu2 Al2 O7",
"formula_reduced": "SrEu2Al2O7",
"formula_anonymous": "AB2C2D7",
"energy": -104.05680987,
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"updated_at": "2021-11-28T01:35:50.792000Z",
"spacegroup": 139
},
{
"id": "mp-983229",
"created_at": "2022-09-04T14:41:25.208581Z",
"structure_string": "Pm2 Zn1 Rh1\n1.0\n0.000000 3.592382 3.592382\n3.592382 0.000000 3.592382\n3.592382 3.592382 0.000000\nPm Zn Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"Zn",
"Rh"
],
"chemical_system": "Pm-Rh-Zn",
"density": 8.207958735090015,
"density_atomic": 0.04314023045054468,
"volume": 92.72087696855354,
"volume_molar": 13.959454312381787,
"formula_full": "Pm2 Zn1 Rh1",
"formula_reduced": "Pm2ZnRh",
"formula_anonymous": "ABC2",
"energy": -20.12253349,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.574000Z",
"spacegroup": 225
},
{
"id": "mp-983230",
"created_at": "2022-09-04T14:42:45.629872Z",
"structure_string": "Ga3 B1\n1.0\n3.959949 0.000000 0.000000\n0.000000 3.959949 0.000000\n0.000000 0.000000 3.959949\nGa B\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
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"elements": [
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"chemical_system": "B-Ga",
"density": 5.8825214175785385,
"density_atomic": 0.06441562326141458,
"volume": 62.096736746099744,
"volume_molar": 9.348882235541925,
"formula_full": "Ga3 B1",
"formula_reduced": "Ga3B",
"formula_anonymous": "AB3",
"energy": -12.82728705,
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"updated_at": "2021-11-28T01:35:49.147000Z",
"spacegroup": 221
},
{
"id": "mp-983234",
"created_at": "2022-09-04T14:43:19.720551Z",
"structure_string": "Sm4 Ge10 Ir6\n1.0\n-3.046994 5.144283 5.961938\n3.046994 -5.144283 5.961938\n3.046994 5.144283 -5.961938\nSm Ge Ir\n4 10 6\ndirect\n0.860957 0.633359 0.227598 Sm\n0.139043 0.366641 0.772402 Sm\n0.594239 0.866641 0.727598 Sm\n0.405761 0.133359 0.272402 Sm\n0.500000 0.750000 0.250000 Ge\n0.500000 0.250000 0.750000 Ge\n0.223882 0.973882 0.750000 Ge\n0.776118 0.526118 0.750000 Ge\n0.776118 0.026118 0.250000 Ge\n0.223882 0.473882 0.250000 Ge\n0.061934 0.900780 0.161155 Ge\n0.938066 0.099220 0.838845 Ge\n0.260375 0.599220 0.661155 Ge\n0.739625 0.400780 0.338845 Ge\n0.531629 0.641724 0.889905 Ir\n0.468371 0.358276 0.110095 Ir\n0.000000 0.750000 0.750000 Ir\n0.000000 0.250000 0.250000 Ir\n0.248181 0.858276 0.389905 Ir\n0.751819 0.141724 0.610095 Ir\n",
"nsites": 20,
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"elements": [
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"Ge",
"Ir"
],
"chemical_system": "Ge-Ir-Sm",
"density": 11.021908971816947,
"density_atomic": 0.05350398106607882,
"volume": 373.80396003242214,
"volume_molar": 11.255500319803302,
"formula_full": "Sm4 Ge10 Ir6",
"formula_reduced": "Sm2Ge5Ir3",
"formula_anonymous": "A2B3C5",
"energy": -133.06626353,
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"updated_at": "2021-11-28T01:36:06.262000Z",
"spacegroup": 72
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{
"id": "mp-983235",
"created_at": "2022-09-04T14:39:49.864701Z",
"structure_string": "Tl6 Pb2\n1.0\n3.626338 -6.281001 0.000000\n3.626338 6.281001 0.000000\n0.000000 0.000000 5.544592\nTl Pb\n6 2\ndirect\n0.831581 0.168419 0.750000 Tl\n0.336839 0.168419 0.750000 Tl\n0.831581 0.663161 0.750000 Tl\n0.168419 0.831581 0.250000 Tl\n0.663161 0.831581 0.250000 Tl\n0.168419 0.336839 0.250000 Tl\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.750000 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Pb-Tl",
"density": 10.786523388090163,
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"volume": 252.57870552350326,
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{
"id": "mp-983236",
"created_at": "2022-09-04T14:44:13.103885Z",
"structure_string": "Pm2 Zn1 Os1\n1.0\n0.000000 3.569191 3.569191\n3.569191 0.000000 3.569191\n3.569191 3.569191 0.000000\nPm Zn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Os\n",
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"density": 9.963573720495894,
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"updated_at": "2021-11-28T01:36:32.388000Z",
"spacegroup": 225
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{
"id": "mp-983237",
"created_at": "2022-09-04T14:41:57.049389Z",
"structure_string": "Ga3 Bi1\n1.0\n4.530755 0.000000 0.000000\n0.000000 4.530755 0.000000\n0.000000 0.000000 4.530755\nGa Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
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"elements": [
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"density": 7.46567087750954,
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"volume": 93.00616458557012,
"volume_molar": 14.002405367050759,
"formula_full": "Ga3 Bi1",
"formula_reduced": "Ga3Bi",
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"energy": -12.68427011,
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"updated_at": "2021-11-28T01:35:32.756000Z",
"spacegroup": 221
},
{
"id": "mp-9833",
"created_at": "2022-09-04T14:43:58.317360Z",
"structure_string": "Pr1 Ga1 O3\n1.0\n4.603177 0.000000 0.000000\n0.000000 4.603177 0.000000\n0.000000 0.000000 4.603177\nPr Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Ga-O-Pr",
"density": 4.403044172580138,
"density_atomic": 0.05126216929963266,
"volume": 97.53781528000668,
"volume_molar": 11.747729060781584,
"formula_full": "Pr1 Ga1 O3",
"formula_reduced": "PrGaO3",
"formula_anonymous": "ABC3",
"energy": -30.60909665,
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"updated_at": "2021-11-28T01:36:10.257000Z",
"spacegroup": 221
}
]
}