lab_id,formula,dft_status,e_hull_dft_eV_atom,decomposes_to,pbe_gap_eV,metal,phonon_stable,prior_reports,finished,note
42,LaNd2(GeRh)4,pass,0.0173,"{""Nd3(GeRh)4"": 0.6667, ""La3(GeRh)4"": 0.3333}",0.0,True,,,2026-11-08T20:44:53Z,
475,Li4Zn2HgPd,queued,,,,,,,,
511,TbPr4Te5,withdrawn,,,,,,Alexandria PBE:agm003653003; nmd/nmd:Urw0sfCTuOAlCT1XYDA71eGoXVex|cE83Tcq8nFHhpkC3JdTaQt5kAjFx|e6VNa3HJ5qiGwqFRC80Nb8oxRBUn|jAVfwjYU9g0k0RAp1JlBaZ9K4h09,,"already reported: Alexandria PBE agm003653003 + NOMAD (4); held 2026-11-03 mid-run, cached runs in jobs/.held-511"
974,NaLaTe2,withdrawn,,,,,,Alexandria PBEsol:agm002166439|agm002347294; Alexandria PBE:agm001216710|agm001812197|agm002166439|agm002166440|agm002347294|agm002774289|agm002774290|agm002866446|agm005115025|agm013153765; mcloudarchive/ed-g2:agm002166439,,"already reported: Alexandria PBE (10), PBEsol (2), Materials Cloud archive (1); held 2026-11-03, see priorart/974.json"
1501,Mg3Ni3GeP2,fail,0.1004,"{""Mg3P2"": 0.2941, ""Mg4Ni7Ge6"": 0.2222, ""NiGe"": 0.0654, ""MgNi2P"": 0.4183}",,,,nmd/nmd:Lc9GSCRqe_yM8PONaKlLa_uY1StJ|g4CugaivJ-hBTV0BLZL18DsBSTCj,2026-10-29T07:29:09Z,
1856,SrCaCdP2,pass,-0.024,"{""Ca2CdP2"": 0.5, ""Sr2CdP2"": 0.5}",1.122,False,True,GNoME (odbx):cfec01a8d3; nmd/nmd:2Vo6hB3CWU9BNbDGx6ZiKt4-wmZH|2X5WV-D0qwbr3bcRVuQbqB0sb5KP|3F0ChFNJKB79CaZP4xfU1lmSuuA4|6VpbtPpxpvcpXoqWcmfvfLbUx98t|9MiuFBYdOH-XhkdFfWXwXpfCj98y|L1nEaaJjv6-ubW7p-K7A-6Y9tmsL|L6dQtSKikGzKCAlJ66c3TcVK0aoC|MU0ymOMxgwpDhHuESOCPBGhUfOWL|OhVybd7eC0GgRNOyne2ShuKx48Ks|Pth2_FQv-BGPOJEmINzZV7fF6Xcs|Qa_YAmWNr3N5yzojx0I_yEe9Fdvc|Qj0_ufwQ8mM8IGxH7ouMue6CXJSK|SagbKAdWGkxvMbM94V-R9vhpKEeV|ZUwszhClYlTmTI6DJWaOQT6ik3UU|jRQnkvf84gTCtarmq7eIK4-C35um|ldt3kEyhBq8Z9LDjDw9nXAmZbh06|mx4boEP7NkjuW12UhQ6GNnT7EEnp|oE7UmXZv8siABxk2tI3nhSrX42FB|u3CH4VtjtUDQyG1HaPYKlfmOGLii; OQMD:5875226|5879242,2026-10-29T14:26:16Z,re-checked vs beta-Ca2CdP2 (CCDC 2054635): beta is +7.6 meV/atom vs alpha; hull uses the lower form
2087,Ac4PrTe5,withdrawn,,,,,,Alexandria PBE:agm003652990|agm006101667|agm058583557; OQMD:6194574,,no SSSP pseudopotential for Ac (crash-looped run_dft 2026-11-03); moved to jobs/.held-2087
2322,Rb2CdCuF6,withdrawn,,,,,,Alexandria PBE:agm004484548; nmd/nmd:R66wB7kxsaJ22uMKSLs_amVbMhtZ; OQMD:5928887,,"already reported: Alexandria PBE (1), OQMD (1), NOMAD (1); held 2026-11-03, see priorart/2322.json"
2571,BaCdGePd2,pass,0.003,"{""BaGePd"": 0.6, ""CdPd"": 0.4}",0.0,True,True,,2026-11-01T22:38:42Z,
3896,Rb2B4Pt3,fail,0.2063,"{""RbBPt"": 0.6667, ""BPt2"": 0.1667, ""B"": 0.1667}",,,,,2026-10-28T18:51:29Z,"stopped by hand at vc-relax step 48 (forces 0.006 Ry/bohr, energy falling <0.0001 eV/atom/step); coarse-k energy, no final scf; 8x the 0.025 pass margin"
3897,Li2Sc2CuSn2Rh,pass,-0.0129,"{""LiScSnRh"": 0.3, ""ScCuSn"": 0.375, ""Li7Sn2"": 0.225, ""ScRh"": 0.1}",0.051,False,,,2026-11-13T08:41:36Z,
3914,Cs3RbAs4,queued,,,,,,,,
4665,KTlAgCl3,withdrawn,,,,,,Alexandria PBE:agm005026840; nmd/nmd:RwiHcKfUTBNE_JdvaKRBR75M_QH4|VGtU-RtoJB-3yf3PPSXgme9MdsAO|ZINukU2EdbjyliSyHzLxV5RWLrUL|jXVPbCVeYg0ZYR9dfXPHRjo041CU,,"already reported: Alexandria PBE (1), NOMAD (4); held 2026-11-03 before start, see priorart/4665.json"
5426,Cs2Hg3O4,queued,,,,,,,,