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{
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"results": [
{
"id": "mp-1224413",
"created_at": "2022-09-04T14:39:38.045018Z",
"structure_string": "H3 Pd4\n1.0\n9.488777 -1.453316 0.000000\n9.488777 1.453316 0.000000\n9.266185 0.000000 2.507356\nH Pd\n3 4\ndirect\n0.259651 0.259651 0.259651 H\n0.500000 0.500000 0.500000 H\n0.740349 0.740349 0.740349 H\n0.124805 0.124805 0.124805 Pd\n0.875195 0.875195 0.875195 Pd\n0.374190 0.374190 0.374190 Pd\n0.625810 0.625810 0.625810 Pd\n",
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{
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"created_at": "2022-09-04T14:42:52.442853Z",
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"updated_at": "2021-11-28T01:36:01.551000Z",
"spacegroup": 74
},
{
"id": "mp-1232317",
"created_at": "2022-09-04T14:48:02.294959Z",
"structure_string": "K4 Zn2 Se4\n1.0\n-3.273245 3.528166 6.626903\n3.273245 -3.528166 6.626903\n3.273245 3.528166 -6.626903\nK Zn Se\n4 2 4\ndirect\n0.811541 0.641438 0.170104 K\n0.188459 0.358562 0.829896 K\n0.471334 0.141438 0.329896 K\n0.528666 0.858562 0.670104 K\n0.000000 0.750000 0.750000 Zn\n0.000000 0.250000 0.250000 Zn\n0.705504 0.395089 0.310415 Se\n0.294496 0.604911 0.689585 Se\n0.084673 0.895089 0.189585 Se\n0.915327 0.104911 0.810415 Se\n",
"nsites": 10,
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"elements": [
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"Zn",
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],
"chemical_system": "K-Se-Zn",
"density": 3.2711853666493402,
"density_atomic": 0.032666444800743745,
"volume": 306.12452812043756,
"volume_molar": 18.435249984298533,
"formula_full": "K4 Zn2 Se4",
"formula_reduced": "K2ZnSe2",
"formula_anonymous": "AB2C2",
"energy": -33.26145926,
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"updated_at": "2021-11-28T01:38:21.781000Z",
"spacegroup": 72
},
{
"id": "mp-1212502",
"created_at": "2022-09-04T14:39:17.795237Z",
"structure_string": "Hf2 Si1 S2\n1.0\n2.932697 0.000000 0.000000\n0.000000 2.932697 0.000000\n0.000000 0.000000 13.888650\nHf Si S\n2 1 2\ndirect\n0.500000 0.500000 0.199193 Hf\n0.500000 0.500000 0.800807 Hf\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.630059 S\n0.500000 0.500000 0.369941 S\n",
"nsites": 5,
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"elements": [
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"density": 6.244390737841107,
"density_atomic": 0.04185772118900874,
"volume": 119.45227446622037,
"volume_molar": 14.387168218754661,
"formula_full": "Hf2 Si1 S2",
"formula_reduced": "Hf2SiS2",
"formula_anonymous": "AB2C2",
"energy": -32.30787095,
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"updated_at": "2021-11-28T01:34:41.089000Z",
"spacegroup": 123
},
{
"id": "mp-753192",
"created_at": "2022-09-04T14:39:40.790462Z",
"structure_string": "Yb4 Sb2 O1\n1.0\n-2.324002 2.324002 8.094657\n2.324002 -2.324002 8.094657\n2.324002 2.324002 -8.094657\nYb Sb O\n4 2 1\ndirect\n0.500000 0.000000 0.500000 Yb\n0.663119 0.663119 0.000000 Yb\n0.336881 0.336881 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.139332 0.139332 0.000000 Sb\n0.860668 0.860668 0.000000 Sb\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
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"elements": [
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"Sb",
"O"
],
"chemical_system": "O-Sb-Yb",
"density": 9.03666804409514,
"density_atomic": 0.040028249941334096,
"volume": 174.87649373278342,
"volume_molar": 15.044726583915423,
"formula_full": "Yb4 Sb2 O1",
"formula_reduced": "Yb4Sb2O",
"formula_anonymous": "AB2C4",
"energy": -32.44336409,
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"updated_at": "2021-11-28T01:34:33.778000Z",
"spacegroup": 139
},
{
"id": "mp-1186546",
"created_at": "2022-09-04T14:45:08.290062Z",
"structure_string": "Pm6 Zn2\n1.0\n3.515183 -6.088475 0.000000\n3.515183 6.088475 0.000000\n0.000000 0.000000 5.338519\nPm Zn\n6 2\ndirect\n0.176529 0.353058 0.250000 Pm\n0.646942 0.823471 0.250000 Pm\n0.176529 0.823471 0.250000 Pm\n0.823471 0.646942 0.750000 Pm\n0.353058 0.176529 0.750000 Pm\n0.823471 0.176529 0.750000 Pm\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Zn"
],
"chemical_system": "Pm-Zn",
"density": 7.272721386923515,
"density_atomic": 0.03500924397079289,
"volume": 228.5110757225762,
"volume_molar": 17.201573290254657,
"formula_full": "Pm6 Zn2",
"formula_reduced": "Pm3Zn",
"formula_anonymous": "AB3",
"energy": -31.37206893,
"energy_per_atom": -3.92150861625,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.040000Z",
"spacegroup": 194
},
{
"id": "mp-1222005",
"created_at": "2022-09-04T14:42:00.377769Z",
"structure_string": "Mn3 Ge1\n1.0\n8.097115 -1.344624 0.000000\n8.097115 1.344624 0.000000\n7.873824 0.000000 2.318228\nMn Ge\n3 1\ndirect\n0.247286 0.247286 0.247286 Mn\n0.500000 0.500000 0.500000 Mn\n0.752714 0.752714 0.752714 Mn\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn",
"density": 7.811087907185562,
"density_atomic": 0.07923967444418031,
"volume": 50.479763174920215,
"volume_molar": 7.599905984270851,
"formula_full": "Mn3 Ge1",
"formula_reduced": "Mn3Ge",
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"energy": -31.37076148,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:37.083000Z",
"spacegroup": 166
},
{
"id": "mp-1183133",
"created_at": "2022-09-04T14:48:07.595227Z",
"structure_string": "Al1 Ir1 O3\n1.0\n3.664087 0.000000 0.000000\n0.000000 3.664087 0.000000\n0.000000 0.000000 3.664087\nAl Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"Ir",
"O"
],
"chemical_system": "Al-Ir-O",
"density": 9.019509478935857,
"density_atomic": 0.10164187626629342,
"volume": 49.1923229250551,
"volume_molar": 5.924861859321136,
"formula_full": "Al1 Ir1 O3",
"formula_reduced": "AlIrO3",
"formula_anonymous": "ABC3",
"energy": -33.43165328,
"energy_per_atom": -6.686330656,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:29.746000Z",
"spacegroup": 221
},
{
"id": "mp-1147556",
"created_at": "2022-09-04T14:44:01.801194Z",
"structure_string": "Sr2 Cu1 Br2 O2\n1.0\n4.935973 0.000000 0.000000\n0.000000 4.935973 0.000000\n0.000000 0.000000 6.571782\nSr Cu Br O\n2 1 2 2\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.000000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 7,
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"elements": [
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"Br",
"O"
],
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"density": 4.465675500375288,
"density_atomic": 0.043718911516230474,
"volume": 160.1137758748014,
"volume_molar": 13.774681370473514,
"formula_full": "Sr2 Cu1 Br2 O2",
"formula_reduced": "Sr2Cu(BrO)2",
"formula_anonymous": "AB2C2D2",
"energy": -33.81229789,
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"updated_at": "2021-11-28T01:36:22.834000Z",
"spacegroup": 123
},
{
"id": "mp-11085",
"created_at": "2022-09-04T14:41:14.173393Z",
"structure_string": "Yb4 Cd4 Au4\n1.0\n4.436195 0.000000 0.000000\n0.000000 7.229953 0.000000\n0.000000 0.000000 8.840482\nYb Cd Au\n4 4 4\ndirect\n0.750000 0.952804 0.681315 Yb\n0.250000 0.547196 0.181315 Yb\n0.750000 0.452804 0.818685 Yb\n0.250000 0.047196 0.318685 Yb\n0.250000 0.142711 0.943917 Cd\n0.250000 0.642711 0.556083 Cd\n0.750000 0.857289 0.056083 Cd\n0.750000 0.357289 0.443917 Cd\n0.250000 0.240991 0.631301 Au\n0.250000 0.740991 0.868699 Au\n0.750000 0.259009 0.131301 Au\n0.750000 0.759009 0.368699 Au\n",
"nsites": 12,
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"density": 11.300825225643052,
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"volume": 283.5450345417115,
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"formula_full": "Yb4 Cd4 Au4",
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{
"id": "mp-1026621",
"created_at": "2022-09-04T14:46:23.921203Z",
"structure_string": "Mg14 Sn1 Sb1\n1.0\n6.391362 -0.000000 0.000000\n-3.195681 5.535081 0.000000\n-0.000000 0.000000 10.381059\nMg Sn Sb\n14 1 1\ndirect\n0.166278 0.833139 0.125000 Mg\n0.165501 0.832750 0.625000 Mg\n0.666861 0.333722 0.125000 Mg\n0.667250 0.334499 0.625000 Mg\n0.666861 0.833139 0.125000 Mg\n0.667250 0.832750 0.625000 Mg\n0.335509 0.164491 0.375051 Mg\n0.335509 0.164491 0.874949 Mg\n0.335509 0.671020 0.375051 Mg\n0.335509 0.671020 0.874949 Mg\n0.828980 0.164491 0.375051 Mg\n0.828980 0.164491 0.874949 Mg\n0.833333 0.666667 0.375684 Mg\n0.833333 0.666667 0.874316 Mg\n0.166667 0.333333 0.125000 Sn\n0.166667 0.333333 0.625000 Sb\n",
"nsites": 16,
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"density": 2.6258612931025485,
"density_atomic": 0.04356732810900274,
"volume": 367.2476760559885,
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"formula_full": "Mg14 Sn1 Sb1",
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},
{
"id": "mp-1025467",
"created_at": "2022-09-04T14:39:24.949342Z",
"structure_string": "Cu2 Sn1 Hg1 S4\n1.0\n-2.809066 2.809066 5.540103\n2.809066 -2.809066 5.540103\n2.809066 2.809066 -5.540103\nCu Sn Hg S\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Hg\n0.882091 0.400793 0.000000 S\n0.400793 0.882091 0.000000 S\n0.599207 0.599207 0.481298 S\n0.117909 0.117909 0.518702 S\n",
"nsites": 8,
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"density": 5.456979259530081,
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"volume": 174.86452674954742,
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"formula_full": "Cu2 Sn1 Hg1 S4",
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"formula_anonymous": "ABC2D4",
"energy": -33.37794003,
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"updated_at": "2021-11-28T01:34:33.103000Z",
"spacegroup": 121
}
]
}