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{
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"results": [
{
"id": "mp-3523",
"created_at": "2022-09-04T14:42:07.827161Z",
"structure_string": "Sr4 Gd8 O16\n1.0\n3.486782 0.000000 0.000000\n0.000000 10.251976 0.000000\n0.000000 0.000000 12.150459\nSr Gd O\n4 8 16\ndirect\n0.750000 0.747348 0.148276 Sr\n0.250000 0.252652 0.851724 Sr\n0.750000 0.247348 0.351724 Sr\n0.250000 0.752652 0.648276 Sr\n0.250000 0.423734 0.111713 Gd\n0.750000 0.576266 0.888287 Gd\n0.250000 0.923734 0.388287 Gd\n0.750000 0.076266 0.611713 Gd\n0.750000 0.079288 0.112051 Gd\n0.250000 0.920712 0.887949 Gd\n0.750000 0.579288 0.387949 Gd\n0.250000 0.420712 0.612051 Gd\n0.250000 0.425682 0.421572 O\n0.750000 0.574318 0.578428 O\n0.250000 0.925682 0.078428 O\n0.750000 0.074318 0.921572 O\n0.250000 0.511897 0.784234 O\n0.750000 0.488103 0.215766 O\n0.250000 0.011897 0.715766 O\n0.750000 0.988103 0.284234 O\n0.250000 0.127998 0.479887 O\n0.750000 0.872002 0.520113 O\n0.250000 0.627998 0.020113 O\n0.750000 0.372002 0.979887 O\n0.750000 0.287252 0.678797 O\n0.250000 0.712748 0.321203 O\n0.750000 0.787252 0.821203 O\n0.250000 0.212748 0.178797 O\n",
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"volume": 434.3352329820388,
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"formula_full": "Sr4 Gd8 O16",
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"formula_anonymous": "AB2C4",
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"updated_at": "2021-11-28T01:35:40.845000Z",
"spacegroup": 62
},
{
"id": "mp-1101990",
"created_at": "2022-09-04T14:47:18.102299Z",
"structure_string": "Sr1 Gd2 Sc2 O7\n1.0\n4.045618 0.000000 0.000000\n0.000000 4.045618 0.000000\n-2.022809 -2.022809 10.178101\nSr Gd Sc O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Sr\n0.683408 0.683408 0.366816 Gd\n0.316592 0.316592 0.633184 Gd\n0.898095 0.898095 0.796190 Sc\n0.101905 0.101905 0.203810 Sc\n0.000000 0.000000 0.000000 O\n0.788846 0.788846 0.577692 O\n0.211154 0.211154 0.422308 O\n0.387010 0.887010 0.774020 O\n0.112990 0.612990 0.225980 O\n0.612990 0.112990 0.225980 O\n0.887010 0.387010 0.774020 O\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Gd-O-Sc-Sr",
"density": 6.021010660120172,
"density_atomic": 0.0720351963079781,
"volume": 166.5852335391077,
"volume_molar": 8.359997707583164,
"formula_full": "Sr1 Gd2 Sc2 O7",
"formula_reduced": "SrGd2Sc2O7",
"formula_anonymous": "AB2C2D7",
"energy": -121.58930738,
"energy_per_atom": -10.132442281666666,
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"updated_at": "2021-11-28T01:38:01.538000Z",
"spacegroup": 139
},
{
"id": "mp-1187239",
"created_at": "2022-09-04T14:44:09.945433Z",
"structure_string": "Sr1 Gd3\n1.0\n-2.619849 2.619849 5.296838\n2.619849 -2.619849 5.296838\n2.619849 2.619849 -5.296838\nSr Gd\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Gd\n0.250000 0.750000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Gd-Sr",
"density": 6.3873257422140925,
"density_atomic": 0.027506212140713696,
"volume": 145.42169527149633,
"volume_molar": 21.893747962069437,
"formula_full": "Sr1 Gd3",
"formula_reduced": "SrGd3",
"formula_anonymous": "AB3",
"energy": -43.23650275,
"energy_per_atom": -10.8091256875,
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"energy_uncorrected": -43.23650275,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.069000Z",
"spacegroup": 139
},
{
"id": "mp-1218287",
"created_at": "2022-09-04T14:40:16.439080Z",
"structure_string": "Sr1 Gd1 Co2 O6\n1.0\n0.000000 3.816194 3.816194\n3.816194 0.000000 3.816194\n3.816194 3.816194 0.000000\nSr Gd Co O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 10,
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"elements": [
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"O"
],
"chemical_system": "Co-Gd-O-Sr",
"density": 6.853107637340621,
"density_atomic": 0.08996605376685282,
"volume": 111.15303585411245,
"volume_molar": 6.693792278147919,
"formula_full": "Sr1 Gd1 Co2 O6",
"formula_reduced": "SrGd(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy": -75.51240806,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.504000Z",
"spacegroup": 225
},
{
"id": "mp-1218232",
"created_at": "2022-09-04T14:47:59.330807Z",
"structure_string": "Sr1 Gd1 Co1 O4\n1.0\n-1.890634 1.890634 6.069564\n1.890634 -1.890634 6.069564\n1.890634 1.890634 -6.069564\nSr Gd Co O\n1 1 1 4\ndirect\n0.643040 0.643040 0.000000 Sr\n0.362730 0.362730 0.000000 Gd\n0.004969 0.004969 0.000000 Co\n0.841112 0.841112 0.000000 O\n0.171691 0.171691 0.000000 O\n0.988229 0.488229 0.500000 O\n0.488229 0.988229 0.500000 O\n",
"nsites": 7,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Gd-O-Sr",
"density": 7.037677267794496,
"density_atomic": 0.08066137595306139,
"volume": 86.78255134245977,
"volume_molar": 7.465953424231711,
"formula_full": "Sr1 Gd1 Co1 O4",
"formula_reduced": "SrGdCoO4",
"formula_anonymous": "ABCD4",
"energy": -61.74065832000001,
"energy_per_atom": -8.820094045714287,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -57.35465832,
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"updated_at": "2021-11-28T01:38:25.568000Z",
"spacegroup": 107
},
{
"id": "mp-1218280",
"created_at": "2022-09-04T14:43:59.935881Z",
"structure_string": "Sr2 Gd2 Co2 O8\n1.0\n2.673424 -6.057426 0.000000\n2.673424 6.057426 0.000000\n0.000000 0.000000 5.375256\nSr Gd Co O\n2 2 2 8\ndirect\n0.604396 0.395604 0.250000 Sr\n0.395604 0.604396 0.750000 Sr\n0.115665 0.884335 0.750000 Gd\n0.884335 0.115665 0.250000 Gd\n0.249168 0.750832 0.250000 Co\n0.750832 0.249168 0.750000 Co\n0.926511 0.073489 0.750000 O\n0.407182 0.592818 0.250000 O\n0.073489 0.926511 0.250000 O\n0.592818 0.407182 0.750000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 14,
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"elements": [
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"O"
],
"chemical_system": "Co-Gd-O-Sr",
"density": 7.0162757423560835,
"density_atomic": 0.08041608529484146,
"volume": 174.0945228640479,
"volume_molar": 7.48872658737382,
"formula_full": "Sr2 Gd2 Co2 O8",
"formula_reduced": "SrGdCoO4",
"formula_anonymous": "ABCD4",
"energy": -123.09495571000002,
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"updated_at": "2021-11-28T01:36:08.804000Z",
"spacegroup": 63
},
{
"id": "mp-1192362",
"created_at": "2022-09-04T14:45:21.704812Z",
"structure_string": "Sr4 Gd4 Cu4 S12\n1.0\n3.960440 0.000000 0.000000\n0.000000 10.362202 0.000000\n0.000000 0.000000 12.971433\nSr Gd Cu S\n4 4 4 12\ndirect\n0.250000 0.776395 0.501537 Sr\n0.250000 0.276395 0.998463 Sr\n0.750000 0.223605 0.498463 Sr\n0.750000 0.723605 0.001537 Sr\n0.250000 0.513931 0.259883 Gd\n0.250000 0.013931 0.240117 Gd\n0.750000 0.486069 0.740117 Gd\n0.750000 0.986069 0.759883 Gd\n0.250000 0.736524 0.778472 Cu\n0.250000 0.236524 0.721528 Cu\n0.750000 0.263476 0.221528 Cu\n0.750000 0.763476 0.278472 Cu\n0.250000 0.553150 0.881695 S\n0.250000 0.053150 0.618305 S\n0.750000 0.446850 0.118305 S\n0.750000 0.946850 0.381695 S\n0.250000 0.759203 0.173966 S\n0.250000 0.259203 0.326034 S\n0.750000 0.240797 0.826034 S\n0.750000 0.740797 0.673966 S\n0.250000 0.908583 0.892553 S\n0.250000 0.408583 0.607447 S\n0.750000 0.091417 0.107447 S\n0.750000 0.591417 0.392553 S\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cu-Gd-S-Sr",
"density": 5.048511214042101,
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"volume": 532.3330730907946,
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"formula_full": "Sr4 Gd4 Cu4 S12",
"formula_reduced": "SrGdCuS3",
"formula_anonymous": "ABCD3",
"energy": -175.67430408,
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"updated_at": "2021-11-28T01:37:03.444000Z",
"spacegroup": 62
},
{
"id": "mp-1190889",
"created_at": "2022-09-04T14:42:57.962349Z",
"structure_string": "Sr4 Gd4 Cu4 Se12\n1.0\n4.140522 0.000000 0.000000\n0.000000 10.779811 0.000000\n0.000000 0.000000 13.608029\nSr Gd Cu Se\n4 4 4 12\ndirect\n0.250000 0.269167 0.999511 Sr\n0.250000 0.769167 0.500489 Sr\n0.750000 0.730833 0.000489 Sr\n0.750000 0.230833 0.499511 Sr\n0.250000 0.012568 0.756036 Gd\n0.250000 0.512568 0.743964 Gd\n0.750000 0.987432 0.243964 Gd\n0.750000 0.487432 0.256036 Gd\n0.250000 0.239972 0.278402 Cu\n0.250000 0.739972 0.221598 Cu\n0.750000 0.760028 0.721598 Cu\n0.750000 0.260028 0.778402 Cu\n0.250000 0.259772 0.671034 Se\n0.250000 0.759772 0.828966 Se\n0.750000 0.740228 0.328966 Se\n0.750000 0.240228 0.171034 Se\n0.250000 0.053952 0.386348 Se\n0.250000 0.553952 0.113652 Se\n0.750000 0.946048 0.613652 Se\n0.750000 0.446048 0.886348 Se\n0.250000 0.416399 0.393904 Se\n0.250000 0.916399 0.106096 Se\n0.750000 0.583601 0.606096 Se\n0.750000 0.083601 0.893904 Se\n",
"nsites": 24,
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],
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"density": 5.963207636136353,
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"formula_full": "Sr4 Gd4 Cu4 Se12",
"formula_reduced": "SrGdCuSe3",
"formula_anonymous": "ABCD3",
"energy": -164.46684094999998,
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"updated_at": "2021-11-28T01:36:03.769000Z",
"spacegroup": 62
},
{
"id": "mp-1218267",
"created_at": "2022-09-04T14:40:23.241184Z",
"structure_string": "Sr1 Gd1 Fe1 Co1 O6\n1.0\n0.000000 3.832494 3.832494\n3.832494 0.000000 3.832494\n3.832494 3.832494 0.000000\nSr Gd Fe Co O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Gd\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Co\n0.244189 0.244189 0.755811 O\n0.755811 0.755811 0.244189 O\n0.755811 0.244189 0.244189 O\n0.244189 0.755811 0.755811 O\n0.755811 0.244189 0.755811 O\n0.244189 0.755811 0.244189 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Co-Fe-Gd-O-Sr",
"density": 6.720488988880182,
"density_atomic": 0.08882302374519047,
"volume": 112.58342238705282,
"volume_molar": 6.779932168573672,
"formula_full": "Sr1 Gd1 Fe1 Co1 O6",
"formula_reduced": "SrGdFeCoO6",
"formula_anonymous": "ABCDE6",
"energy": -84.06885242,
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"updated_at": "2021-11-28T01:34:51.202000Z",
"spacegroup": 216
},
{
"id": "mp-1218235",
"created_at": "2022-09-04T14:43:55.280393Z",
"structure_string": "Sr1 Gd1 Ni1 O4\n1.0\n-1.904724 1.904724 6.124740\n1.904724 -1.904724 6.124740\n1.904724 1.904724 -6.124740\nSr Gd Ni O\n1 1 1 4\ndirect\n0.642425 0.642425 0.000000 Sr\n0.362535 0.362535 0.000000 Gd\n0.002425 0.002425 0.000000 Ni\n0.837240 0.837240 0.000000 O\n0.176248 0.176248 0.000000 O\n0.489563 0.989563 0.500000 O\n0.989563 0.489563 0.500000 O\n",
"nsites": 7,
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"elements": [
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],
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"volume": 88.8815780538552,
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"formula_full": "Sr1 Gd1 Ni1 O4",
"formula_reduced": "SrGdNiO4",
"formula_anonymous": "ABCD4",
"energy": -59.74249796,
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"updated_at": "2021-11-28T01:36:21.944000Z",
"spacegroup": 107
},
{
"id": "mp-37183",
"created_at": "2022-09-04T14:41:50.016498Z",
"structure_string": "Sr2 Gd4 S8\n1.0\n-4.297696 4.297696 4.274874\n4.297696 -4.297696 4.274874\n4.297696 4.297696 -4.274874\nSr Gd S\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.625000 0.999308 0.874308 Gd\n0.125000 0.750692 0.125692 Gd\n0.000692 0.875000 0.625692 Gd\n0.249308 0.375000 0.374308 Gd\n0.359556 0.112626 0.097464 S\n0.362626 0.109556 0.597464 S\n0.512092 0.765162 0.402536 S\n0.737908 0.640444 0.753070 S\n0.015162 0.262092 0.902536 S\n0.890444 0.487908 0.253070 S\n0.887374 0.984838 0.246930 S\n0.234838 0.637374 0.746930 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 5.577139888571938,
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"volume": 315.83095555769575,
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"formula_full": "Sr2 Gd4 S8",
"formula_reduced": "Sr(GdS2)2",
"formula_anonymous": "AB2C4",
"energy": -125.84067837,
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"updated_at": "2021-11-28T01:35:27.211000Z",
"spacegroup": 122
},
{
"id": "mp-34770",
"created_at": "2022-09-04T14:42:56.657182Z",
"structure_string": "Sr2 Gd4 Se8\n1.0\n-4.486676 4.486676 4.468668\n4.486676 -4.486676 4.468668\n4.486676 4.486676 -4.468668\nSr Gd Se\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Sr\n0.750000 0.250000 0.500000 Sr\n0.625000 0.999032 0.874032 Gd\n0.125000 0.750968 0.125968 Gd\n0.000968 0.875000 0.625968 Gd\n0.249032 0.375000 0.374032 Gd\n0.360591 0.113322 0.098780 Se\n0.363322 0.110591 0.598780 Se\n0.889409 0.488189 0.252731 Se\n0.886678 0.985458 0.247269 Se\n0.511811 0.764542 0.401220 Se\n0.738189 0.639409 0.752731 Se\n0.014542 0.261811 0.901220 Se\n0.235458 0.636678 0.747269 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Gd",
"Se"
],
"chemical_system": "Gd-Se-Sr",
"density": 6.626616591971735,
"density_atomic": 0.038908146032142814,
"volume": 359.82182210466453,
"volume_molar": 15.477840437385495,
"formula_full": "Sr2 Gd4 Se8",
"formula_reduced": "Sr(GdSe2)2",
"formula_anonymous": "AB2C4",
"energy": -118.26987607,
"energy_per_atom": -8.447848290714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.49387607,
"band_gap": 0.7486000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.9999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.604000Z",
"spacegroup": 122
}
]
}