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{
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"results": [
{
"id": "mp-1147573",
"created_at": "2022-09-04T14:42:14.659476Z",
"structure_string": "Ga2 Co1 S2 O2\n1.0\n-1.886226 1.886226 8.332635\n1.886226 -1.886226 8.332635\n1.886226 1.886226 -8.332635\nGa Co S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Co\n0.855779 0.855779 0.000000 S\n0.144221 0.144221 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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"volume": 118.58501251232553,
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"formula_full": "Ga2 Co1 S2 O2",
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{
"id": "mp-1183123",
"created_at": "2022-09-04T14:39:45.113380Z",
"structure_string": "Ac6 Lu2\n1.0\n3.909695 -6.771791 0.000000\n3.909695 6.771791 0.000000\n0.000000 0.000000 6.307252\nAc Lu\n6 2\ndirect\n0.829730 0.170270 0.750000 Ac\n0.340541 0.170270 0.750000 Ac\n0.829730 0.659459 0.750000 Ac\n0.170270 0.829730 0.250000 Ac\n0.659459 0.829730 0.250000 Ac\n0.170270 0.340541 0.250000 Ac\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n",
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"elements": [
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"volume": 333.977034058236,
"volume_molar": 25.14070887132514,
"formula_full": "Ac6 Lu2",
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"updated_at": "2021-11-28T01:34:35.943000Z",
"spacegroup": 194
},
{
"id": "mp-27397",
"created_at": "2022-09-04T14:46:36.058270Z",
"structure_string": "Ir2 Br6\n1.0\n5.607678 3.240924 0.000000\n-5.607678 3.240924 0.000000\n0.000000 2.080226 6.656612\nIr Br\n2 6\ndirect\n0.166716 0.833284 0.000000 Ir\n0.833284 0.166716 0.000000 Ir\n0.921412 0.567129 0.791067 Br\n0.432871 0.078588 0.208933 Br\n0.787062 0.787062 0.209010 Br\n0.212938 0.212938 0.790990 Br\n0.567129 0.921412 0.791067 Br\n0.078588 0.432871 0.208933 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ir",
"Br"
],
"chemical_system": "Br-Ir",
"density": 5.928656696405218,
"density_atomic": 0.03306395741504467,
"volume": 241.95530799830578,
"volume_molar": 18.21361152993689,
"formula_full": "Ir2 Br6",
"formula_reduced": "IrBr3",
"formula_anonymous": "AB3",
"energy": -33.16634502,
"energy_per_atom": -4.1457931275,
"energy_above_hull": null,
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"band_gap": 1.5604000000000002,
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"updated_at": "2021-11-28T01:37:41.052000Z",
"spacegroup": 12
},
{
"id": "mp-5161",
"created_at": "2022-09-04T14:45:14.683048Z",
"structure_string": "Sm1 Ge2 Rh2\n1.0\n-2.084607 2.084607 5.246133\n2.084607 -2.084607 5.246133\n2.084607 2.084607 -5.246133\nSm Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.622961 0.622961 0.000000 Ge\n0.377039 0.377039 0.000000 Ge\n0.750000 0.250000 0.500000 Rh\n0.250000 0.750000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
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"chemical_system": "Ge-Rh-Sm",
"density": 9.131243574848591,
"density_atomic": 0.0548305159832038,
"volume": 91.19009570385307,
"volume_molar": 10.983191844929491,
"formula_full": "Sm1 Ge2 Rh2",
"formula_reduced": "Sm(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -33.16533544,
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"energy_uncorrected": -33.16533544,
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"total_magnetization": 9.3e-05,
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"updated_at": "2021-11-28T01:36:59.202000Z",
"spacegroup": 139
},
{
"id": "mp-1025029",
"created_at": "2022-09-04T14:48:19.602417Z",
"structure_string": "Pr2 H2 Se2\n1.0\n2.031383 -3.518459 0.000000\n2.031383 3.518459 0.000000\n0.000000 0.000000 8.025771\nPr H Se\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 6,
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"elements": [
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"H",
"Se"
],
"chemical_system": "H-Pr-Se",
"density": 6.39389864985402,
"density_atomic": 0.052298614375497106,
"volume": 114.7257928655776,
"volume_molar": 11.514914557318535,
"formula_full": "Pr2 H2 Se2",
"formula_reduced": "PrHSe",
"formula_anonymous": "ABC",
"energy": -33.164635940000004,
"energy_per_atom": -5.527439323333334,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:56.786000Z",
"spacegroup": 194
},
{
"id": "mp-5610",
"created_at": "2022-09-04T14:40:12.785981Z",
"structure_string": "Ca1 As2 Ru2\n1.0\n-2.110188 2.110188 5.206842\n2.110188 -2.110188 5.206842\n2.110188 2.110188 -5.206842\nCa As Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.367097 0.367097 0.000000 As\n0.632903 0.632903 0.000000 As\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
"nsites": 5,
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"elements": [
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"As",
"Ru"
],
"chemical_system": "As-Ca-Ru",
"density": 7.019824807005967,
"density_atomic": 0.053912977250667606,
"volume": 92.74204940959896,
"volume_molar": 11.170113518309597,
"formula_full": "Ca1 As2 Ru2",
"formula_reduced": "Ca(AsRu)2",
"formula_anonymous": "AB2C2",
"energy": -33.16451584,
"energy_per_atom": -6.632903168,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:50.275000Z",
"spacegroup": 139
},
{
"id": "mp-1079130",
"created_at": "2022-09-04T14:46:28.213627Z",
"structure_string": "Ba4 Zn2 Bi4\n1.0\n-3.616920 3.705006 7.285671\n3.616920 -3.705006 7.285671\n3.616920 3.705006 -7.285671\nBa Zn Bi\n4 2 4\ndirect\n0.073489 0.865205 0.208283 Ba\n0.926511 0.134795 0.791717 Ba\n0.343078 0.634795 0.708283 Ba\n0.656922 0.365205 0.291717 Ba\n0.500000 0.750000 0.250000 Zn\n0.500000 0.250000 0.750000 Zn\n0.823127 0.613271 0.209856 Bi\n0.176873 0.386729 0.790144 Bi\n0.596584 0.886729 0.709856 Bi\n0.403416 0.113271 0.290144 Bi\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Zn",
"Bi"
],
"chemical_system": "Ba-Bi-Zn",
"density": 6.446211771196163,
"density_atomic": 0.02560605265186104,
"volume": 390.53266569274206,
"volume_molar": 23.518426841797154,
"formula_full": "Ba4 Zn2 Bi4",
"formula_reduced": "Ba2ZnBi2",
"formula_anonymous": "AB2C2",
"energy": -33.1639885,
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"updated_at": "2021-11-28T01:37:36.805000Z",
"spacegroup": 72
},
{
"id": "mp-565",
"created_at": "2022-09-04T14:40:58.916897Z",
"structure_string": "Sn4 Rh2\n1.0\n-3.248778 3.248778 2.895243\n3.248778 -3.248778 2.895243\n3.248778 3.248778 -2.895243\nSn Rh\n4 2\ndirect\n0.662015 0.162015 0.824030 Sn\n0.162015 0.337985 0.500000 Sn\n0.837985 0.662015 0.500000 Sn\n0.337985 0.837985 0.175970 Sn\n0.750000 0.750000 0.000000 Rh\n0.250000 0.250000 0.000000 Rh\n",
"nsites": 6,
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"elements": [
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"Rh"
],
"chemical_system": "Rh-Sn",
"density": 9.24673692100415,
"density_atomic": 0.049086963505426066,
"volume": 122.2320463830842,
"volume_molar": 12.268309811696364,
"formula_full": "Sn4 Rh2",
"formula_reduced": "Sn2Rh",
"formula_anonymous": "AB2",
"energy": -33.16335462,
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"updated_at": "2021-11-28T01:35:12.487000Z",
"spacegroup": 140
},
{
"id": "mp-1080559",
"created_at": "2022-09-04T14:47:09.819801Z",
"structure_string": "In2 Ga4 Au4\n1.0\n2.157787 -3.737397 0.000000\n2.157787 3.737397 0.000000\n0.000000 0.000000 13.190126\nIn Ga Au\n2 4 4\ndirect\n0.000000 0.000000 0.250000 In\n0.000000 0.000000 0.750000 In\n0.333333 0.666667 0.936677 Ga\n0.666667 0.333333 0.063323 Ga\n0.666667 0.333333 0.436677 Ga\n0.333333 0.666667 0.563323 Ga\n0.333333 0.666667 0.361890 Au\n0.666667 0.333333 0.638110 Au\n0.666667 0.333333 0.861890 Au\n0.333333 0.666667 0.138110 Au\n",
"nsites": 10,
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"Au"
],
"chemical_system": "Au-Ga-In",
"density": 10.118810377465591,
"density_atomic": 0.04700491321662162,
"volume": 212.74371795805922,
"volume_molar": 12.811726153491724,
"formula_full": "In2 Ga4 Au4",
"formula_reduced": "In(GaAu)2",
"formula_anonymous": "AB2C2",
"energy": -33.16209093,
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{
"id": "mp-1110566",
"created_at": "2022-09-04T14:42:02.320731Z",
"structure_string": "Cs2 Na1 As1 Br6\n1.0\n0.000000 5.649590 5.649590\n5.649590 0.000000 5.649590\n5.649590 5.649590 0.000000\nCs Na As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 As\n0.763013 0.236987 0.236987 Br\n0.236987 0.236987 0.763013 Br\n0.236987 0.763013 0.763013 Br\n0.236987 0.763013 0.236987 Br\n0.763013 0.236987 0.763013 Br\n0.763013 0.763013 0.236987 Br\n",
"nsites": 10,
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"density": 3.8821403472137406,
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"volume": 360.6457263484521,
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"formula_full": "Cs2 Na1 As1 Br6",
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"formula_anonymous": "ABC2D6",
"energy": -33.16161396,
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"updated_at": "2021-11-28T01:35:36.214000Z",
"spacegroup": 225
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{
"id": "mp-35909",
"created_at": "2022-09-04T14:48:22.166386Z",
"structure_string": "Ag2 Bi2 I8\n1.0\n-4.402388 4.464136 6.436530\n4.402388 -4.464136 6.436530\n4.402388 4.464136 -6.436530\nAg Bi I\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.224202 0.240824 0.983378 I\n0.757445 0.240824 0.516622 I\n0.745240 0.245512 0.000272 I\n0.745240 0.744968 0.499728 I\n0.254760 0.255032 0.500272 I\n0.242555 0.759176 0.483378 I\n0.254760 0.754488 0.999728 I\n0.775798 0.759176 0.016622 I\n",
"nsites": 12,
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"elements": [
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"I"
],
"chemical_system": "Ag-Bi-I",
"density": 5.41146151853963,
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"volume": 505.9848598947998,
"volume_molar": 25.392600405961364,
"formula_full": "Ag2 Bi2 I8",
"formula_reduced": "AgBiI4",
"formula_anonymous": "ABC4",
"energy": -33.16127657,
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"updated_at": "2021-11-28T01:39:12.703000Z",
"spacegroup": 74
},
{
"id": "mp-1217697",
"created_at": "2022-09-04T14:42:52.535953Z",
"structure_string": "Tb2 Si3 Ge1\n1.0\n0.000000 -3.968268 0.000000\n-4.001457 0.000000 0.000000\n-2.000728 -1.984133 -7.625631\nTb Si Ge\n2 3 1\ndirect\n0.880397 0.630397 0.739207 Tb\n0.121724 0.371724 0.256553 Tb\n0.461516 0.211516 0.576969 Si\n0.542377 0.792377 0.415246 Si\n0.699910 0.949910 0.100179 Si\n0.294076 0.044076 0.911847 Ge\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ge-Si-Tb",
"density": 6.510533443130511,
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"volume": 121.08627952610617,
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"formula_full": "Tb2 Si3 Ge1",
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"formula_anonymous": "AB2C3",
"energy": -33.16024328,
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"updated_at": "2021-11-28T01:35:57.139000Z",
"spacegroup": 44
}
]
}