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{
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"results": [
{
"id": "mp-1217738",
"created_at": "2022-09-04T14:47:21.980182Z",
"structure_string": "Tb2 In3 Cu1\n1.0\n0.000000 0.000000 -3.611321\n-2.392673 -4.143768 0.000000\n-7.213151 4.164058 0.000000\nTb In Cu\n2 3 1\ndirect\n0.000000 0.999967 0.007792 Tb\n0.000000 0.499990 0.495738 Tb\n0.500000 0.499965 0.837043 In\n0.500000 0.499956 0.182855 In\n0.500000 0.999989 0.646840 In\n0.500000 0.999933 0.329733 Cu\n",
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"formula_full": "Tb2 In3 Cu1",
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{
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"created_at": "2022-09-04T14:47:25.092165Z",
"structure_string": "Nd2 Ge3 Ir1\n1.0\n0.000000 0.000000 -4.177032\n-2.179306 -3.773907 0.000000\n-6.374866 3.679755 0.000000\nNd Ge Ir\n2 3 1\ndirect\n0.000000 0.000010 0.011677 Nd\n0.000000 0.500179 0.495078 Nd\n0.500000 0.499902 0.834417 Ge\n0.500000 0.499900 0.175770 Ge\n0.500000 0.000032 0.657552 Ge\n0.500000 0.999778 0.325505 Ir\n",
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"density": 8.658106242596904,
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"volume": 133.98859181695636,
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},
{
"id": "mp-1185807",
"created_at": "2022-09-04T14:47:18.143802Z",
"structure_string": "Mg5 Ag1\n1.0\n5.245181 -2.706696 0.000000\n5.245181 2.706696 0.000000\n3.848432 0.000000 4.475232\nMg Ag\n5 1\ndirect\n0.659707 0.340293 0.000000 Mg\n0.000000 0.659707 0.340293 Mg\n0.340293 0.000000 0.659707 Mg\n0.165781 0.165781 0.165781 Mg\n0.834219 0.834219 0.834219 Mg\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 6,
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],
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"density": 2.9976721053415862,
"density_atomic": 0.047217799072329356,
"volume": 127.07072582542563,
"volume_molar": 12.75396328993467,
"formula_full": "Mg5 Ag1",
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"formula_anonymous": "AB5",
"energy": -11.25827229,
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"updated_at": "2021-11-28T01:38:01.566000Z",
"spacegroup": 155
},
{
"id": "mp-3277",
"created_at": "2022-09-04T14:47:25.372393Z",
"structure_string": "B1 As1 O4\n1.0\n-2.292855 2.292855 3.439248\n2.292855 -2.292855 3.439248\n2.292855 2.292855 -3.439248\nB As O\n1 1 4\ndirect\n0.250000 0.750000 0.500000 B\n0.000000 0.000000 0.000000 As\n0.288380 0.410460 0.432182 O\n0.589540 0.021722 0.877919 O\n0.978278 0.856197 0.567818 O\n0.143803 0.711620 0.122081 O\n",
"nsites": 6,
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"elements": [
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"As",
"O"
],
"chemical_system": "As-B-O",
"density": 3.4378097245326944,
"density_atomic": 0.0829611156909717,
"volume": 72.32303893247851,
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"formula_full": "B1 As1 O4",
"formula_reduced": "BAsO4",
"formula_anonymous": "ABC4",
"energy": -43.92401249,
"energy_per_atom": -7.3206687483333335,
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"updated_at": "2021-11-28T01:38:06.980000Z",
"spacegroup": 82
},
{
"id": "mp-1094644",
"created_at": "2022-09-04T14:47:25.362824Z",
"structure_string": "Mg2 Ga4\n1.0\n5.106257 -2.619122 0.000000\n5.106257 2.619122 0.000000\n3.762847 0.000000 4.332972\nMg Ga\n2 4\ndirect\n0.832930 0.832930 0.832930 Mg\n0.167070 0.167070 0.167070 Mg\n0.000000 0.665438 0.334562 Ga\n0.665438 0.334562 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.334562 0.000000 0.665438 Ga\n",
"nsites": 6,
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"chemical_system": "Ga-Mg",
"density": 4.6923324908515776,
"density_atomic": 0.05176985806937656,
"volume": 115.89755552274117,
"volume_molar": 11.632523218297713,
"formula_full": "Mg2 Ga4",
"formula_reduced": "MgGa2",
"formula_anonymous": "AB2",
"energy": -15.76002064,
"energy_per_atom": -2.626670106666667,
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"updated_at": "2021-11-28T01:38:07.234000Z",
"spacegroup": 155
},
{
"id": "mp-28928",
"created_at": "2022-09-04T14:47:22.275953Z",
"structure_string": "Dy2 S2 Br2\n1.0\n4.078588 0.000000 0.000000\n0.000000 5.362741 0.000000\n0.000000 0.000000 9.112520\nDy S Br\n2 2 2\ndirect\n0.000000 0.000000 0.127536 Dy\n0.500000 0.500000 0.872464 Dy\n0.500000 0.000000 0.925907 S\n0.000000 0.500000 0.074093 S\n0.000000 0.500000 0.656690 Br\n0.500000 0.000000 0.343310 Br\n",
"nsites": 6,
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"elements": [
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"S",
"Br"
],
"chemical_system": "Br-Dy-S",
"density": 4.573379479830004,
"density_atomic": 0.03010343789566359,
"volume": 199.31278350318593,
"volume_molar": 20.00482729205986,
"formula_full": "Dy2 S2 Br2",
"formula_reduced": "DySBr",
"formula_anonymous": "ABC",
"energy": -34.98827906,
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"updated_at": "2021-11-28T01:38:07.301000Z",
"spacegroup": 59
},
{
"id": "mp-1071732",
"created_at": "2022-09-04T14:47:20.036523Z",
"structure_string": "Eu2 Cu4\n1.0\n-2.201392 3.596615 3.732416\n2.201392 -3.596615 3.732416\n2.201392 3.596615 -3.732416\nEu Cu\n2 4\ndirect\n0.710216 0.460216 0.250000 Eu\n0.289784 0.539784 0.750000 Eu\n0.887250 0.835612 0.051637 Cu\n0.112750 0.164388 0.948363 Cu\n0.716025 0.164388 0.551637 Cu\n0.283975 0.835612 0.448363 Cu\n",
"nsites": 6,
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"density": 7.840235157443486,
"density_atomic": 0.050758628797741595,
"volume": 118.2065028570464,
"volume_molar": 11.864269982541261,
"formula_full": "Eu2 Cu4",
"formula_reduced": "EuCu2",
"formula_anonymous": "AB2",
"energy": -37.74205862,
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"updated_at": "2021-11-28T01:38:06.607000Z",
"spacegroup": 74
},
{
"id": "mp-1223974",
"created_at": "2022-09-04T14:47:24.872312Z",
"structure_string": "Hg2 I1 Br3\n1.0\n2.578027 3.611059 0.000000\n-2.578027 3.611059 0.000000\n0.000000 0.337966 13.465682\nHg I Br\n2 1 3\ndirect\n0.839809 0.839809 0.436671 Hg\n0.164531 0.164531 0.933155 Hg\n0.574867 0.574867 0.304972 I\n0.420291 0.420291 0.809318 Br\n0.090348 0.090348 0.560360 Br\n0.910153 0.910153 0.058564 Br\n",
"nsites": 6,
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"elements": [
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"I",
"Br"
],
"chemical_system": "Br-Hg-I",
"density": 5.085279326085581,
"density_atomic": 0.023931551482273734,
"volume": 250.71504471593667,
"volume_molar": 25.164021498817746,
"formula_full": "Hg2 I1 Br3",
"formula_reduced": "Hg2IBr3",
"formula_anonymous": "AB2C3",
"energy": -11.5787859,
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"updated_at": "2021-11-28T01:38:01.821000Z",
"spacegroup": 8
},
{
"id": "mp-1094404",
"created_at": "2022-09-04T14:47:24.951351Z",
"structure_string": "Y2 Mg4\n1.0\n2.825103 4.991639 0.000000\n-2.825103 4.991639 0.000000\n0.000000 3.295459 5.637312\nY Mg\n2 4\ndirect\n0.087349 0.912651 0.250000 Y\n0.912651 0.087349 0.750000 Y\n0.249908 0.417112 0.747686 Mg\n0.582888 0.750092 0.752315 Mg\n0.417112 0.249908 0.247686 Mg\n0.750092 0.582888 0.252314 Mg\n",
"nsites": 6,
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"volume": 158.99355607602467,
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"formula_full": "Y2 Mg4",
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"spacegroup": 15
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{
"id": "mp-726702",
"created_at": "2022-09-04T14:47:19.879477Z",
"structure_string": "Ca2 Cl2 O2\n1.0\n1.996833 -3.458616 0.000000\n1.996833 3.458616 0.000000\n0.000000 0.000000 9.320634\nCa Cl O\n2 2 2\ndirect\n0.333333 0.666667 0.810918 Ca\n0.666667 0.333333 0.310918 Ca\n0.333333 0.666667 0.504583 Cl\n0.666667 0.333333 0.004583 Cl\n0.000000 0.000000 0.267499 O\n0.000000 0.000000 0.767499 O\n",
"nsites": 6,
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"volume": 128.74178957792398,
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"formula_full": "Ca2 Cl2 O2",
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"spacegroup": 186
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{
"id": "mp-1222012",
"created_at": "2022-09-04T14:47:19.536853Z",
"structure_string": "Mg1 Be4 Cu1\n1.0\n0.000000 3.123742 3.123742\n3.123742 0.000000 3.123742\n3.123742 3.123742 0.000000\nMg Be Cu\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.623552 0.623552 0.129344 Be\n0.623552 0.129344 0.623552 Be\n0.129344 0.623552 0.623552 Be\n0.623552 0.623552 0.623552 Be\n0.250000 0.250000 0.250000 Cu\n",
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"volume": 60.96147498159327,
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"formula_full": "Mg1 Be4 Cu1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "mp-978260",
"created_at": "2022-09-04T14:47:25.553818Z",
"structure_string": "Mg4 Bi2\n1.0\n1.755503 6.037817 0.000000\n-1.755503 6.037817 0.000000\n0.000000 3.002455 7.411006\nMg Bi\n4 2\ndirect\n0.130214 0.130214 0.972264 Mg\n0.869786 0.869786 0.027736 Mg\n0.449099 0.449099 0.305267 Mg\n0.550901 0.550901 0.694733 Mg\n0.176995 0.176995 0.322662 Bi\n0.823005 0.823005 0.677338 Bi\n",
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"elements": [
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"density": 5.445278343239143,
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"volume": 157.10452080459805,
"volume_molar": 15.7684256386273,
"formula_full": "Mg4 Bi2",
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"energy": -14.5409758,
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"updated_at": "2021-11-28T01:38:00.051000Z",
"spacegroup": 12
}
]
}