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{
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{
"id": "mp-1094711",
"created_at": "2022-09-04T14:41:45.904874Z",
"structure_string": "Ce1 Mg5\n1.0\n5.712785 -2.809394 0.000000\n5.712785 2.809394 0.000000\n4.331200 0.000000 4.665759\nCe Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.668580 0.331420 Mg\n0.166637 0.166637 0.166637 Mg\n0.331420 0.000000 0.668580 Mg\n0.668580 0.331420 0.000000 Mg\n0.833363 0.833363 0.833363 Mg\n",
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{
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"nsites": 6,
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"updated_at": "2021-11-28T01:35:26.831000Z",
"spacegroup": 38
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{
"id": "mp-2373",
"created_at": "2022-09-04T14:41:47.500045Z",
"structure_string": "Pr2 Fe4\n1.0\n0.000000 3.741343 3.741343\n3.741343 0.000000 3.741343\n3.741343 3.741343 0.000000\nPr Fe\n2 4\ndirect\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Pr\n0.125000 0.125000 0.125000 Fe\n0.625000 0.125000 0.125000 Fe\n0.125000 0.625000 0.125000 Fe\n0.125000 0.125000 0.625000 Fe\n",
"nsites": 6,
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"elements": [
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"density": 8.00932334763476,
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"volume": 104.74000055952817,
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"formula_full": "Pr2 Fe4",
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"formula_anonymous": "AB2",
"energy": -42.73644691,
"energy_per_atom": -7.122741151666666,
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"energy_uncorrected": -42.73644691,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:24.538000Z",
"spacegroup": 227
},
{
"id": "mp-1039208",
"created_at": "2022-09-04T14:41:32.279812Z",
"structure_string": "Ca4 Zn2\n1.0\n7.458488 0.000000 0.000000\n0.000000 7.458488 0.000000\n0.000000 0.000000 3.948378\nCa Zn\n4 2\ndirect\n0.282156 0.282156 0.000000 Ca\n0.717844 0.717844 0.000000 Ca\n0.217844 0.782156 0.500000 Ca\n0.782156 0.217844 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ca-Zn",
"density": 2.200978214057103,
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"volume": 219.64449051412356,
"volume_molar": 22.045500650575608,
"formula_full": "Ca4 Zn2",
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"energy": -10.63778266,
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"updated_at": "2021-11-28T01:35:22.150000Z",
"spacegroup": 136
},
{
"id": "mp-1018684",
"created_at": "2022-09-04T14:41:48.899224Z",
"structure_string": "Er2 Mg3 Ru1\n1.0\n3.358283 0.000000 0.000000\n0.000000 3.358283 0.000000\n0.000000 0.000000 12.496841\nEr Mg Ru\n2 3 1\ndirect\n0.500000 0.500000 0.868141 Er\n0.500000 0.500000 0.131859 Er\n0.000000 0.000000 0.664768 Mg\n0.000000 0.000000 0.335232 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ru\n",
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"density": 5.991116857718892,
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"volume": 140.94018144469968,
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"formula_full": "Er2 Mg3 Ru1",
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"formula_anonymous": "AB2C3",
"energy": -24.64420783,
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"updated_at": "2021-11-28T01:35:40.943000Z",
"spacegroup": 123
},
{
"id": "mp-1222386",
"created_at": "2022-09-04T14:41:35.995313Z",
"structure_string": "Li1 B1 H4\n1.0\n0.000000 2.855319 2.855319\n2.855319 0.000000 2.855319\n2.855319 2.855319 0.000000\nLi B H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 B\n0.623213 0.623213 0.130360 H\n0.623213 0.130360 0.623213 H\n0.130360 0.623213 0.623213 H\n0.623213 0.623213 0.623213 H\n",
"nsites": 6,
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"elements": [
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"B",
"H"
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"density": 0.7769409989372027,
"density_atomic": 0.12887163812211724,
"volume": 46.557955555080866,
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"formula_full": "Li1 B1 H4",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy": -24.46014084,
"energy_per_atom": -4.07669014,
"energy_above_hull": null,
"is_stable": null,
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"updated_at": "2021-11-28T01:35:29.064000Z",
"spacegroup": 216
},
{
"id": "mp-21061",
"created_at": "2022-09-04T14:41:47.134633Z",
"structure_string": "Gd2 Sb2 Pd2\n1.0\n2.313452 -4.007017 0.000000\n2.313452 4.007017 0.000000\n0.000000 0.000000 7.529403\nGd Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.498031 Gd\n0.000000 0.000000 0.998031 Gd\n0.333333 0.666667 0.724663 Sb\n0.666667 0.333333 0.224663 Sb\n0.666667 0.333333 0.822096 Pd\n0.333333 0.666667 0.322096 Pd\n",
"nsites": 6,
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"Sb",
"Pd"
],
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"density": 9.169642240057646,
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"volume": 139.59575645027877,
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"formula_full": "Gd2 Sb2 Pd2",
"formula_reduced": "GdSbPd",
"formula_anonymous": "ABC",
"energy": -53.29778945,
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"updated_at": "2021-11-28T01:35:24.806000Z",
"spacegroup": 186
},
{
"id": "mp-1222343",
"created_at": "2022-09-04T14:41:45.587309Z",
"structure_string": "Li1 Zn1 Fe1 O3\n1.0\n-1.506718 2.098597 4.549039\n1.506718 -2.098597 4.549039\n1.506718 2.098597 -4.549039\nLi Zn Fe O\n1 1 1 3\ndirect\n0.999441 0.999441 0.000000 Li\n0.663607 0.663607 0.000000 Zn\n0.336438 0.336438 0.000000 Fe\n0.490256 0.990256 0.500000 O\n0.179582 0.679582 0.500000 O\n0.830675 0.330675 0.500000 O\n",
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"Fe",
"O"
],
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"density": 5.085077367460376,
"density_atomic": 0.10428229361718602,
"volume": 57.53613381410305,
"volume_molar": 5.774844943578738,
"formula_full": "Li1 Zn1 Fe1 O3",
"formula_reduced": "LiZnFeO3",
"formula_anonymous": "ABCD3",
"energy": -37.4194325,
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"updated_at": "2021-11-28T01:35:41.923000Z",
"spacegroup": 44
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{
"id": "mp-1076977",
"created_at": "2022-09-04T14:41:47.518755Z",
"structure_string": "Dy2 Al2 Ge2\n1.0\n2.045087 -5.218013 0.000000\n2.045087 5.218013 0.000000\n0.000000 0.000000 5.751232\nDy Al Ge\n2 2 2\ndirect\n0.689348 0.310652 0.250000 Dy\n0.310652 0.689348 0.750000 Dy\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.393594 0.606406 0.250000 Ge\n0.606406 0.393594 0.750000 Ge\n",
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"Al",
"Ge"
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"density": 7.092085687109485,
"density_atomic": 0.04888137602040705,
"volume": 122.74613540942697,
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"formula_full": "Dy2 Al2 Ge2",
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"updated_at": "2021-11-28T01:35:28.738000Z",
"spacegroup": 63
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{
"id": "mp-30579",
"created_at": "2022-09-04T14:41:47.592370Z",
"structure_string": "Er1 Cu5\n1.0\n0.000000 3.496448 3.496448\n3.496448 0.000000 3.496448\n3.496448 3.496448 0.000000\nEr Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Er\n0.127750 0.624083 0.624083 Cu\n0.624083 0.127750 0.624083 Cu\n0.250000 0.250000 0.250000 Cu\n0.624083 0.624083 0.127750 Cu\n0.624083 0.624083 0.624083 Cu\n",
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"formula_full": "Er1 Cu5",
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{
"id": "mp-1094649",
"created_at": "2022-09-04T14:41:32.777550Z",
"structure_string": "Mg4 Ga2\n1.0\n1.547590 5.714920 0.000000\n-1.547590 5.714920 0.000000\n0.000000 1.478446 7.052404\nMg Ga\n4 2\ndirect\n0.005450 0.005450 0.003528 Mg\n0.336711 0.336711 0.339698 Mg\n0.658754 0.658754 0.654940 Mg\n0.279534 0.279534 0.941221 Mg\n0.616025 0.616025 0.275601 Ga\n0.936858 0.936858 0.618345 Ga\n",
"nsites": 6,
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"formula_full": "Mg4 Ga2",
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{
"id": "mp-1399869",
"created_at": "2022-09-04T14:41:49.879736Z",
"structure_string": "Cr2 N4\n1.0\n1.856921 4.743990 0.000000\n-1.856921 4.743990 0.000000\n0.000000 1.373021 3.569419\nCr N\n2 4\ndirect\n0.352036 0.352036 0.966896 Cr\n0.647964 0.647964 0.033104 Cr\n0.145062 0.145062 0.131870 N\n0.854938 0.854938 0.868130 N\n0.399065 0.399065 0.341140 N\n0.600935 0.600935 0.658860 N\n",
"nsites": 6,
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"density": 4.2252842440456195,
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"volume": 62.88755632777174,
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"formula_full": "Cr2 N4",
"formula_reduced": "CrN2",
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"energy": -52.08154627,
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}
]
}