HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12134",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=12132",
"results": [
{
"id": "mp-4487",
"created_at": "2022-09-04T14:43:17.475324Z",
"structure_string": "Er1 Mn2 Ge2\n1.0\n-1.959155 1.959155 5.421560\n1.959155 -1.959155 5.421560\n1.959155 1.959155 -5.421560\nEr Mn Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.618057 0.618057 0.000000 Ge\n0.381943 0.381943 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Ge"
],
"chemical_system": "Er-Ge-Mn",
"density": 8.426877255402044,
"density_atomic": 0.06006868861717388,
"volume": 83.23804156714152,
"volume_molar": 10.025424058081146,
"formula_full": "Er1 Mn2 Ge2",
"formula_reduced": "Er(MnGe)2",
"formula_anonymous": "AB2C2",
"energy": -34.51360594,
"energy_per_atom": -6.902721187999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.51360594,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0629355,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.877000Z",
"spacegroup": 139
},
{
"id": "mp-1016582",
"created_at": "2022-09-04T14:43:17.482848Z",
"structure_string": "Ba2 Mg12 Cd2\n1.0\n5.207802 0.000000 0.000000\n0.000000 6.911415 0.000000\n0.000000 0.000000 12.206868\nBa Mg Cd\n2 12 2\ndirect\n0.500000 0.500000 0.669116 Ba\n0.500000 0.000000 0.169116 Ba\n0.500000 0.740211 0.920885 Mg\n0.500000 0.259789 0.920885 Mg\n0.000000 0.225722 0.575997 Mg\n0.000000 0.774278 0.575997 Mg\n0.000000 0.500000 0.849532 Mg\n0.000000 0.000000 0.830915 Mg\n0.500000 0.240211 0.420885 Mg\n0.500000 0.759789 0.420885 Mg\n0.000000 0.725722 0.075997 Mg\n0.000000 0.274278 0.075997 Mg\n0.000000 0.000000 0.349532 Mg\n0.000000 0.500000 0.330915 Mg\n0.500000 0.000000 0.656669 Cd\n0.500000 0.500000 0.156669 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Cd"
],
"chemical_system": "Ba-Cd-Mg",
"density": 2.990023220427594,
"density_atomic": 0.0364161726232781,
"volume": 439.3652283428713,
"volume_molar": 16.536995313314453,
"formula_full": "Ba2 Mg12 Cd2",
"formula_reduced": "BaMg6Cd",
"formula_anonymous": "ABC6",
"energy": -23.93729436,
"energy_per_atom": -1.4960808975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.93729436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.007118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.980000Z",
"spacegroup": 38
},
{
"id": "mp-22631",
"created_at": "2022-09-04T14:43:17.614048Z",
"structure_string": "Co4 N2\n1.0\n2.838705 0.000000 0.000000\n0.000000 4.292000 0.000000\n0.000000 0.000000 4.539061\nCo N\n4 2\ndirect\n0.500000 0.229362 0.824654 Co\n0.500000 0.770638 0.175346 Co\n0.000000 0.270638 0.324654 Co\n0.000000 0.729362 0.675346 Co\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"N"
],
"chemical_system": "Co-N",
"density": 7.9193453164124925,
"density_atomic": 0.10849388356403247,
"volume": 55.302656729573464,
"volume_molar": 5.550673053790878,
"formula_full": "Co4 N2",
"formula_reduced": "Co2N",
"formula_anonymous": "AB2",
"energy": -45.42372801,
"energy_per_atom": -7.570621334999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.70172801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0280797,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:09.298000Z",
"spacegroup": 58
},
{
"id": "mp-1216618",
"created_at": "2022-09-04T14:43:17.636404Z",
"structure_string": "Tm5 S7\n1.0\n1.879191 6.321643 0.000000\n-1.879191 6.321643 0.000000\n0.000000 2.862468 11.115829\nTm S\n5 7\ndirect\n0.113780 0.113780 0.577259 Tm\n0.889338 0.889338 0.419850 Tm\n0.999627 0.999627 0.997974 Tm\n0.298901 0.298901 0.815054 Tm\n0.699410 0.699410 0.188216 Tm\n0.658375 0.658375 0.948968 S\n0.340610 0.340610 0.050609 S\n0.041137 0.041137 0.212789 S\n0.958813 0.958813 0.782952 S\n0.742811 0.742811 0.645925 S\n0.261041 0.261041 0.350816 S\n0.505157 0.505157 0.493388 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Tm",
"S"
],
"chemical_system": "S-Tm",
"density": 6.722104597688735,
"density_atomic": 0.04543688008131231,
"volume": 264.1026403777109,
"volume_molar": 13.253860628685288,
"formula_full": "Tm5 S7",
"formula_reduced": "Tm5S7",
"formula_anonymous": "A5B7",
"energy": -79.45159617,
"energy_per_atom": -6.6209663475000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.93059617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0090516,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.759000Z",
"spacegroup": 8
},
{
"id": "mp-972966",
"created_at": "2022-09-04T14:43:17.831439Z",
"structure_string": "Sc2 Os1 Au1\n1.0\n0.000000 3.305963 3.305963\n3.305963 0.000000 3.305963\n3.305963 3.305963 0.000000\nSc Os Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Os",
"Au"
],
"chemical_system": "Au-Os-Sc",
"density": 10.963322565714146,
"density_atomic": 0.0553523456551987,
"volume": 72.26432687996339,
"volume_molar": 10.879648709944778,
"formula_full": "Sc2 Os1 Au1",
"formula_reduced": "Sc2OsAu",
"formula_anonymous": "ABC2",
"energy": -29.52218939,
"energy_per_atom": -7.3805473475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.52218939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023531,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.735000Z",
"spacegroup": 225
},
{
"id": "mp-1206540",
"created_at": "2022-09-04T14:43:22.254994Z",
"structure_string": "Tb3 Mg3 Tl3\n1.0\n3.802137 -6.585494 0.000000\n3.802137 6.585494 0.000000\n0.000000 0.000000 4.688895\nTb Mg Tl\n3 3 3\ndirect\n0.570973 0.000000 0.000000 Tb\n0.000000 0.570973 0.000000 Tb\n0.429027 0.429027 0.000000 Tb\n0.244098 0.000000 0.500000 Mg\n0.000000 0.244098 0.500000 Mg\n0.755902 0.755902 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"Tl"
],
"chemical_system": "Mg-Tb-Tl",
"density": 8.223426055620791,
"density_atomic": 0.03832885858393838,
"volume": 234.81001867797414,
"volume_molar": 15.711766492633213,
"formula_full": "Tb3 Mg3 Tl3",
"formula_reduced": "TbMgTl",
"formula_anonymous": "ABC",
"energy": -28.78157833,
"energy_per_atom": -3.1979531477777776,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.78157833,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002233,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.218000Z",
"spacegroup": 189
},
{
"id": "mp-795584",
"created_at": "2022-09-04T14:43:22.283345Z",
"structure_string": "Rb4 Al4 S8 O80\n1.0\n11.358271 0.000000 0.000000\n0.000000 11.358271 0.000000\n0.000000 0.000000 11.358271\nRb Al S O\n4 4 8 80\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.196065 0.803935 0.303935 S\n0.803935 0.303935 0.196065 S\n0.303935 0.196065 0.803935 S\n0.696065 0.696065 0.696065 S\n0.803935 0.196065 0.696065 S\n0.196065 0.696065 0.803935 S\n0.696065 0.803935 0.196065 S\n0.303935 0.303935 0.303935 S\n0.274511 0.725489 0.225489 O\n0.725489 0.225489 0.274511 O\n0.225489 0.274511 0.725489 O\n0.774511 0.774511 0.774511 O\n0.725489 0.274511 0.774511 O\n0.274511 0.774511 0.725489 O\n0.774511 0.725489 0.274511 O\n0.225489 0.225489 0.225489 O\n0.075441 0.804747 0.255376 O\n0.924559 0.304747 0.244624 O\n0.424559 0.195253 0.755376 O\n0.575441 0.695253 0.744624 O\n0.255376 0.075441 0.804747 O\n0.244624 0.924559 0.304747 O\n0.755376 0.424559 0.195253 O\n0.744624 0.575441 0.695253 O\n0.804747 0.255376 0.075441 O\n0.304747 0.244624 0.924559 O\n0.195253 0.755376 0.424559 O\n0.695253 0.744624 0.575441 O\n0.924559 0.195253 0.744624 O\n0.075441 0.695253 0.755376 O\n0.575441 0.804747 0.244624 O\n0.424559 0.304747 0.255376 O\n0.744624 0.924559 0.195253 O\n0.755376 0.075441 0.695253 O\n0.244624 0.575441 0.804747 O\n0.255376 0.424559 0.304747 O\n0.195253 0.744624 0.924559 O\n0.695253 0.755376 0.075441 O\n0.804747 0.244624 0.575441 O\n0.304747 0.255376 0.424559 O\n0.218562 0.550093 0.156664 O\n0.781438 0.050093 0.343336 O\n0.281438 0.449907 0.656664 O\n0.718562 0.949907 0.843336 O\n0.156664 0.218562 0.550093 O\n0.343336 0.781438 0.050093 O\n0.656664 0.281438 0.449907 O\n0.843336 0.718562 0.949907 O\n0.550093 0.156664 0.218562 O\n0.050093 0.343336 0.781438 O\n0.449907 0.656664 0.281438 O\n0.949907 0.843336 0.718562 O\n0.781438 0.449907 0.843336 O\n0.218562 0.949907 0.656664 O\n0.718562 0.550093 0.343336 O\n0.281438 0.050093 0.156664 O\n0.843336 0.781438 0.449907 O\n0.656664 0.218562 0.949907 O\n0.343336 0.718562 0.550093 O\n0.156664 0.281438 0.050093 O\n0.449907 0.843336 0.781438 O\n0.949907 0.656664 0.218562 O\n0.550093 0.343336 0.718562 O\n0.050093 0.156664 0.281438 O\n0.337952 0.511038 0.025131 O\n0.662048 0.011038 0.474869 O\n0.162048 0.488962 0.525131 O\n0.837952 0.988962 0.974869 O\n0.025131 0.337952 0.511038 O\n0.474869 0.662048 0.011038 O\n0.525131 0.162048 0.488962 O\n0.974869 0.837952 0.988962 O\n0.511038 0.025131 0.337952 O\n0.011038 0.474869 0.662048 O\n0.488962 0.525131 0.162048 O\n0.988962 0.974869 0.837952 O\n0.662048 0.488962 0.974869 O\n0.337952 0.988962 0.525131 O\n0.837952 0.511038 0.474869 O\n0.162048 0.011038 0.025131 O\n0.974869 0.662048 0.488962 O\n0.525131 0.337952 0.988962 O\n0.474869 0.837952 0.511038 O\n0.025131 0.162048 0.011038 O\n0.488962 0.974869 0.662048 O\n0.988962 0.525131 0.337952 O\n0.511038 0.474869 0.837952 O\n0.011038 0.025131 0.162048 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Rb",
"Al",
"S",
"O"
],
"chemical_system": "Al-O-Rb-S",
"density": 2.2508707639469265,
"density_atomic": 0.06551406598408024,
"volume": 1465.3341775997808,
"volume_molar": 9.19213403952575,
"formula_full": "Rb4 Al4 S8 O80",
"formula_reduced": "RbAl(SO10)2",
"formula_anonymous": "ABC2D20",
"energy": -468.2303381100001,
"energy_per_atom": -4.877399355312501,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -413.27033811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 78.5105024,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.669000Z",
"spacegroup": 205
},
{
"id": "mp-20989",
"created_at": "2022-09-04T14:43:22.319930Z",
"structure_string": "Ba1 Gd1 Fe2 O5\n1.0\n3.995565 0.000000 0.000000\n0.000000 3.995565 0.000000\n0.000000 0.000000 7.629243\nBa Gd Fe O\n1 1 2 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Gd\n0.500000 0.500000 0.266750 Fe\n0.500000 0.500000 0.733250 Fe\n0.500000 0.000000 0.309866 O\n0.500000 0.000000 0.690134 O\n0.000000 0.500000 0.309866 O\n0.000000 0.500000 0.690134 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Gd",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Gd-O",
"density": 6.629539575179718,
"density_atomic": 0.07389323178061255,
"volume": 121.79735251965715,
"volume_molar": 8.14978667854129,
"formula_full": "Ba1 Gd1 Fe2 O5",
"formula_reduced": "BaGdFe2O5",
"formula_anonymous": "ABC2D5",
"energy": -80.48788760000001,
"energy_per_atom": -8.943098622222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.5408876,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.421000Z",
"spacegroup": 123
},
{
"id": "mp-861943",
"created_at": "2022-09-04T14:43:22.321468Z",
"structure_string": "B2 Pt6\n1.0\n3.578621 -6.198353 0.000000\n3.578621 6.198353 0.000000\n0.000000 0.000000 2.755246\nB Pt\n2 6\ndirect\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.197410 0.394820 0.250000 Pt\n0.605180 0.802590 0.250000 Pt\n0.197410 0.802590 0.250000 Pt\n0.802590 0.605180 0.750000 Pt\n0.394820 0.197410 0.750000 Pt\n0.802590 0.197410 0.750000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Pt"
],
"chemical_system": "B-Pt",
"density": 16.195295221865806,
"density_atomic": 0.06544969072701089,
"volume": 122.23128804943954,
"volume_molar": 9.201175273872884,
"formula_full": "B2 Pt6",
"formula_reduced": "BPt3",
"formula_anonymous": "AB3",
"energy": -49.93508216,
"energy_per_atom": -6.24188527,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.93508216,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004383,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.931000Z",
"spacegroup": 194
},
{
"id": "mp-1037799",
"created_at": "2022-09-04T14:43:22.322121Z",
"structure_string": "Mg30 Ti1 Fe1 O32\n1.0\n8.514555 0.000000 0.000000\n0.000000 8.554402 0.000000\n0.000000 0.000000 8.554402\nMg Ti Fe O\n30 1 1 32\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.249426 0.249426 Mg\n0.000000 0.249426 0.750574 Mg\n0.000000 0.750574 0.249426 Mg\n0.000000 0.750574 0.750574 Mg\n0.500000 0.249928 0.249928 Mg\n0.500000 0.249928 0.750072 Mg\n0.500000 0.750072 0.249928 Mg\n0.500000 0.750072 0.750072 Mg\n0.250129 0.000000 0.251058 Mg\n0.250129 0.000000 0.748942 Mg\n0.250502 0.500000 0.248668 Mg\n0.250502 0.500000 0.751332 Mg\n0.749871 0.000000 0.251058 Mg\n0.749871 0.000000 0.748942 Mg\n0.749498 0.500000 0.248668 Mg\n0.749498 0.500000 0.751332 Mg\n0.250129 0.251058 0.000000 Mg\n0.250502 0.248668 0.500000 Mg\n0.250129 0.748942 0.000000 Mg\n0.250502 0.751332 0.500000 Mg\n0.749871 0.251058 0.000000 Mg\n0.749498 0.248668 0.500000 Mg\n0.749871 0.748942 0.000000 Mg\n0.749498 0.751332 0.500000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.251790 0.000000 0.000000 O\n0.251462 0.000000 0.500000 O\n0.251462 0.500000 0.000000 O\n0.253319 0.500000 0.500000 O\n0.748210 0.000000 0.000000 O\n0.748538 0.000000 0.500000 O\n0.748538 0.500000 0.000000 O\n0.746681 0.500000 0.500000 O\n0.249961 0.249893 0.249893 O\n0.249961 0.249893 0.750107 O\n0.249961 0.750107 0.249893 O\n0.249961 0.750107 0.750107 O\n0.750039 0.249893 0.249893 O\n0.750039 0.249893 0.750107 O\n0.750039 0.750107 0.249893 O\n0.750039 0.750107 0.750107 O\n0.000000 0.000000 0.255285 O\n0.000000 0.000000 0.744715 O\n0.000000 0.500000 0.244547 O\n0.000000 0.500000 0.755453 O\n0.500000 0.000000 0.249961 O\n0.500000 0.000000 0.750039 O\n0.500000 0.500000 0.249923 O\n0.500000 0.500000 0.750077 O\n0.000000 0.255285 0.000000 O\n0.000000 0.244547 0.500000 O\n0.000000 0.744715 0.000000 O\n0.000000 0.755453 0.500000 O\n0.500000 0.249961 0.000000 O\n0.500000 0.249923 0.500000 O\n0.500000 0.750039 0.000000 O\n0.500000 0.750077 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O-Ti",
"density": 3.5840936898093787,
"density_atomic": 0.10271614415374074,
"volume": 623.076348195156,
"volume_molar": 5.862896051653127,
"formula_full": "Mg30 Ti1 Fe1 O32",
"formula_reduced": "Mg30TiFeO32",
"formula_anonymous": "ABC30D32",
"energy": -412.69800067,
"energy_per_atom": -6.44840626046875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.45800067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9834972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.697000Z",
"spacegroup": 123
},
{
"id": "mp-1030568",
"created_at": "2022-09-04T14:43:22.330031Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n1.671422 -2.894988 0.000000\n1.671422 2.894988 0.000000\n0.000000 0.000000 38.087401\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.000000 0.000000 0.707622 Te\n0.000000 0.000000 0.607505 Te\n0.000000 0.000000 0.093904 Mo\n0.000000 0.000000 0.469628 W\n0.333333 0.666667 0.281789 W\n0.333333 0.666667 0.657597 W\n0.333333 0.666667 0.050190 Se\n0.333333 0.666667 0.425696 Se\n0.333333 0.666667 0.137651 Se\n0.333333 0.666667 0.513577 Se\n0.000000 0.000000 0.321775 S\n0.000000 0.000000 0.241814 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.778382344691192,
"density_atomic": 0.032556449036920745,
"volume": 368.5905666920665,
"volume_molar": 18.497535628564933,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -87.02934883,
"energy_per_atom": -7.252445735833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.13534883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003898,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.729000Z",
"spacegroup": 156
},
{
"id": "mp-1178369",
"created_at": "2022-09-04T14:43:40.785400Z",
"structure_string": "Cu1 Ni1 O2\n1.0\n1.432366 2.746386 0.000000\n-1.432366 2.746386 0.000000\n0.000000 2.724884 5.002799\nCu Ni O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Ni\n0.570924 0.570924 0.731299 O\n0.429076 0.429076 0.268701 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O",
"density": 6.5070241040560015,
"density_atomic": 0.10162518778585343,
"volume": 39.360320872704094,
"volume_molar": 5.925834816354753,
"formula_full": "Cu1 Ni1 O2",
"formula_reduced": "CuNiO2",
"formula_anonymous": "ABC2",
"energy": -23.83016651,
"energy_per_atom": -5.9575416275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.91516651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0003419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.827000Z",
"spacegroup": 12
}
]
}