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=-nelements&page=10189",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=10187",
"results": [
{
"id": "mp-1344933",
"created_at": "2022-09-04T14:45:20.434254Z",
"structure_string": "Ca4 Ti4 O8\n1.0\n3.430500 0.000000 0.000000\n-1.434506 8.493356 0.000000\n-0.053332 -0.998530 8.809775\nCa Ti O\n4 4 8\ndirect\n0.535662 0.814749 0.070329 Ca\n0.180346 0.132566 0.825397 Ca\n0.171251 0.165050 0.216607 Ca\n0.008410 0.752550 0.711074 Ca\n0.942883 0.521938 0.158626 Ti\n0.531035 0.791812 0.414057 Ti\n0.660257 0.113243 0.521973 Ti\n0.952178 0.457377 0.837609 Ti\n0.737956 0.258264 0.708734 O\n0.424885 0.546000 0.755911 O\n0.998945 0.708248 0.456295 O\n0.465449 0.604103 0.232108 O\n0.057519 0.339659 0.011618 O\n0.594353 0.988026 0.306211 O\n0.959410 0.653177 0.982699 O\n0.587074 0.927615 0.630087 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"O"
],
"chemical_system": "Ca-O-Ti",
"density": 3.103739935148121,
"density_atomic": 0.06233305524205344,
"volume": 256.68563714498447,
"volume_molar": 9.661231487233632,
"formula_full": "Ca4 Ti4 O8",
"formula_reduced": "CaTiO2",
"formula_anonymous": "ABC2",
"energy": -122.23112556,
"energy_per_atom": -7.6394453475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.73512556,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.597000Z",
"spacegroup": 1
},
{
"id": "mp-27703",
"created_at": "2022-09-04T14:45:20.436323Z",
"structure_string": "In2 Br2 O2\n1.0\n3.688204 0.000000 0.000000\n0.000000 4.125503 0.000000\n0.000000 0.000000 9.009691\nIn Br O\n2 2 2\ndirect\n0.500000 0.500000 0.888300 In\n0.000000 0.000000 0.111700 In\n0.000000 0.500000 0.668210 Br\n0.500000 0.000000 0.331790 Br\n0.000000 0.500000 0.036356 O\n0.500000 0.000000 0.963644 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"Br",
"O"
],
"chemical_system": "Br-In-O",
"density": 5.104885409975443,
"density_atomic": 0.04376727543547973,
"volume": 137.08872531590416,
"volume_molar": 13.759460007689173,
"formula_full": "In2 Br2 O2",
"formula_reduced": "InBrO",
"formula_anonymous": "ABC",
"energy": -28.67737982,
"energy_per_atom": -4.779563303333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.23537982,
"band_gap": 2.1878,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.63e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.636000Z",
"spacegroup": 59
},
{
"id": "mp-862992",
"created_at": "2022-09-04T14:45:20.485169Z",
"structure_string": "Er2 Ni1 Ir1\n1.0\n0.000000 3.367535 3.367535\n3.367535 0.000000 3.367535\n3.367535 3.367535 0.000000\nEr Ni Ir\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Ni",
"Ir"
],
"chemical_system": "Er-Ir-Ni",
"density": 12.727893540196543,
"density_atomic": 0.052371334567196684,
"volume": 76.37766028031373,
"volume_molar": 11.49892552818776,
"formula_full": "Er2 Ni1 Ir1",
"formula_reduced": "Er2NiIr",
"formula_anonymous": "ABC2",
"energy": -26.58878814,
"energy_per_atom": -6.647197035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58878814,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0147853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.254000Z",
"spacegroup": 225
},
{
"id": "mp-570412",
"created_at": "2022-09-04T14:45:20.490213Z",
"structure_string": "Yb1 Ni2 P2\n1.0\n-1.938958 1.938958 4.614648\n1.938958 -1.938958 4.614648\n1.938958 1.938958 -4.614648\nYb Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.377709 0.377709 0.000000 P\n0.622291 0.622291 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"P"
],
"chemical_system": "Ni-P-Yb",
"density": 8.431755002484284,
"density_atomic": 0.0720501069997683,
"volume": 69.39614954376236,
"volume_molar": 8.358267615090936,
"formula_full": "Yb1 Ni2 P2",
"formula_reduced": "Yb(NiP)2",
"formula_anonymous": "AB2C2",
"energy": -28.76121951,
"energy_per_atom": -5.752243902,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.76121951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006278,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.493000Z",
"spacegroup": 139
},
{
"id": "mp-33320",
"created_at": "2022-09-04T14:45:20.505492Z",
"structure_string": "Ca4 U4 S8\n1.0\n-3.903114 3.903114 6.957290\n3.903114 -3.903114 6.957290\n3.903114 3.903114 -6.957290\nCa U S\n4 4 8\ndirect\n0.270431 0.625000 0.145431 Ca\n0.479569 0.125000 0.854569 Ca\n0.375000 0.520431 0.645431 Ca\n0.875000 0.729569 0.354569 Ca\n0.375000 0.024122 0.149122 U\n0.875000 0.225878 0.850878 U\n0.774122 0.625000 0.649122 U\n0.975878 0.125000 0.350878 U\n0.105743 0.101017 0.706794 S\n0.601051 0.894257 0.995274 S\n0.394223 0.398949 0.293206 S\n0.355777 0.148983 0.504726 S\n0.851017 0.355743 0.206794 S\n0.644257 0.851051 0.495274 S\n0.148949 0.644223 0.793206 S\n0.898983 0.605777 0.004726 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"U",
"S"
],
"chemical_system": "Ca-S-U",
"density": 5.361834008144944,
"density_atomic": 0.037739610423624365,
"volume": 423.9577414923252,
"volume_molar": 15.95708247224047,
"formula_full": "Ca4 U4 S8",
"formula_reduced": "CaUS2",
"formula_anonymous": "ABC2",
"energy": -109.05288961,
"energy_per_atom": -6.815805600625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.02888961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.8402741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.369000Z",
"spacegroup": 122
},
{
"id": "mp-1226627",
"created_at": "2022-09-04T14:45:20.520786Z",
"structure_string": "Ce1 Mg2 Ni1\n1.0\n0.000000 3.438621 3.438621\n3.438621 0.000000 3.438621\n3.438621 3.438621 0.000000\nCe Mg Ni\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Ni"
],
"chemical_system": "Ce-Mg-Ni",
"density": 5.052425493115271,
"density_atomic": 0.04919002715141544,
"volume": 81.3172960382255,
"volume_molar": 12.242605074119608,
"formula_full": "Ce1 Mg2 Ni1",
"formula_reduced": "CeMg2Ni",
"formula_anonymous": "ABC2",
"energy": -15.05042038,
"energy_per_atom": -3.762605095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.05042038,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1426138,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.464000Z",
"spacegroup": 216
},
{
"id": "mp-1017167",
"created_at": "2022-09-04T14:45:20.737068Z",
"structure_string": "Hf1 Mg6 C1\n1.0\n3.957858 -5.045566 0.000000\n3.957858 5.045566 0.000000\n0.000000 0.000000 4.470816\nHf Mg C\n1 6 1\ndirect\n0.637058 0.362942 0.500000 Hf\n0.924640 0.616192 0.000000 Mg\n0.383808 0.075360 0.000000 Mg\n0.409425 0.590575 0.000000 Mg\n0.716232 0.895748 0.500000 Mg\n0.104252 0.283768 0.500000 Mg\n0.203063 0.796937 0.500000 Mg\n0.621522 0.378478 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"C"
],
"chemical_system": "C-Hf-Mg",
"density": 3.1277261165324846,
"density_atomic": 0.04480258730825575,
"volume": 178.56111623548676,
"volume_molar": 13.441502202910284,
"formula_full": "Hf1 Mg6 C1",
"formula_reduced": "HfMg6C",
"formula_anonymous": "ABC6",
"energy": -26.9724491,
"energy_per_atom": -3.3715561375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.9724491,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014799,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.669000Z",
"spacegroup": 38
},
{
"id": "mp-1183023",
"created_at": "2022-09-04T14:45:20.425135Z",
"structure_string": "Al4 S4 O40\n1.0\n7.938740 0.000000 0.157618\n0.000000 10.495580 0.000000\n1.628763 0.000000 8.594081\nAl S O\n4 4 40\ndirect\n0.232425 0.981620 0.607809 Al\n0.732425 0.518380 0.107809 Al\n0.767575 0.018380 0.392191 Al\n0.267576 0.481620 0.892191 Al\n0.266835 0.699825 0.657033 S\n0.766835 0.800175 0.157033 S\n0.733165 0.300175 0.342967 S\n0.233165 0.199825 0.842967 S\n0.436552 0.990392 0.457370 O\n0.936552 0.509608 0.957370 O\n0.563448 0.009608 0.542630 O\n0.063448 0.490392 0.042630 O\n0.179679 0.947073 0.175993 O\n0.679679 0.552927 0.675993 O\n0.820321 0.052927 0.824007 O\n0.320321 0.447073 0.324007 O\n0.194042 0.191504 0.257361 O\n0.694042 0.308496 0.757361 O\n0.805958 0.808496 0.742639 O\n0.305958 0.691504 0.242639 O\n0.057580 0.950650 0.500271 O\n0.557580 0.549350 0.000271 O\n0.942420 0.049350 0.499729 O\n0.442420 0.450650 0.999729 O\n0.156154 0.660402 0.249110 O\n0.656154 0.839598 0.749110 O\n0.843846 0.339598 0.750890 O\n0.343846 0.160402 0.250890 O\n0.757156 0.158934 0.284814 O\n0.257156 0.341066 0.784814 O\n0.242844 0.841066 0.715186 O\n0.742844 0.658934 0.215186 O\n0.891445 0.347104 0.377658 O\n0.391445 0.152896 0.877658 O\n0.108555 0.652896 0.622342 O\n0.608555 0.847104 0.122342 O\n0.699206 0.367924 0.193712 O\n0.199206 0.132076 0.693712 O\n0.300794 0.632076 0.806288 O\n0.800794 0.867924 0.306288 O\n0.579662 0.307556 0.463739 O\n0.079662 0.192444 0.963739 O\n0.420338 0.692444 0.536261 O\n0.920338 0.807556 0.036261 O\n0.246308 0.389010 0.439047 O\n0.746308 0.110990 0.939047 O\n0.753692 0.610990 0.560953 O\n0.253692 0.889010 0.060953 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Al",
"S",
"O"
],
"chemical_system": "Al-O-S",
"density": 2.039451464258047,
"density_atomic": 0.06728542875411511,
"volume": 713.3788234509001,
"volume_molar": 8.950141020884395,
"formula_full": "Al4 S4 O40",
"formula_reduced": "AlSO10",
"formula_anonymous": "ABC10",
"energy": -277.50298414,
"energy_per_atom": -5.781312169583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -271.06298414,
"band_gap": 0.2066,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9822483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.390000Z",
"spacegroup": 14
},
{
"id": "mp-5643",
"created_at": "2022-09-04T14:45:20.425590Z",
"structure_string": "Yb4 Fe2 S8\n1.0\n0.000000 5.452861 5.452861\n5.452861 0.000000 5.452861\n5.452861 5.452861 0.000000\nYb Fe S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Yb\n0.125000 0.125000 0.125000 Yb\n0.125000 0.625000 0.125000 Yb\n0.125000 0.125000 0.625000 Yb\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Fe\n0.381520 0.381520 0.381520 S\n0.394559 0.868480 0.868480 S\n0.868480 0.868480 0.394559 S\n0.868480 0.394559 0.868480 S\n0.381520 0.381520 0.855441 S\n0.381520 0.855441 0.381520 S\n0.868480 0.868480 0.868480 S\n0.855441 0.381520 0.381520 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Yb",
"Fe",
"S"
],
"chemical_system": "Fe-S-Yb",
"density": 5.43004279766785,
"density_atomic": 0.04317424568815869,
"volume": 324.2673908218332,
"volume_molar": 13.948456224335798,
"formula_full": "Yb4 Fe2 S8",
"formula_reduced": "Yb2FeS4",
"formula_anonymous": "AB2C4",
"energy": -75.98736727000001,
"energy_per_atom": -5.427669090714287,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.96336727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9995583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.325000Z",
"spacegroup": 227
},
{
"id": "mp-7632",
"created_at": "2022-09-04T14:45:20.438743Z",
"structure_string": "Ni3 Mo3 P3\n1.0\n2.928582 -5.072453 0.000000\n2.928582 5.072453 0.000000\n0.000000 0.000000 3.749923\nNi Mo P\n3 3 3\ndirect\n0.749037 0.749037 0.000000 Ni\n0.250963 0.000000 0.000000 Ni\n0.000000 0.250963 0.000000 Ni\n0.000000 0.586174 0.500000 Mo\n0.586174 0.000000 0.500000 Mo\n0.413826 0.413826 0.500000 Mo\n0.000000 0.000000 0.500000 P\n0.666667 0.333333 0.000000 P\n0.333333 0.666667 0.000000 P\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ni",
"Mo",
"P"
],
"chemical_system": "Mo-Ni-P",
"density": 8.299220745760733,
"density_atomic": 0.08078202641752856,
"volume": 111.41092145278405,
"volume_molar": 7.454802790999658,
"formula_full": "Ni3 Mo3 P3",
"formula_reduced": "NiMoP",
"formula_anonymous": "ABC",
"energy": -71.14036171,
"energy_per_atom": -7.904484634444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.14036171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0115804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.598000Z",
"spacegroup": 189
},
{
"id": "mp-680683",
"created_at": "2022-09-04T14:45:20.440953Z",
"structure_string": "Cs4 B36 O56\n1.0\n8.861315 0.000000 0.000000\n0.000000 8.917265 0.000000\n0.000000 0.000000 15.995344\nCs B O\n4 36 56\ndirect\n0.992724 0.000000 0.500000 Cs\n0.500000 0.526747 0.250000 Cs\n0.500000 0.473253 0.750000 Cs\n0.007276 0.000000 0.000000 Cs\n0.115382 0.441690 0.116924 B\n0.633243 0.666557 0.560709 B\n0.150949 0.359954 0.375106 B\n0.323098 0.957855 0.184709 B\n0.849051 0.640046 0.875106 B\n0.676902 0.042145 0.684709 B\n0.563823 0.827984 0.447833 B\n0.923388 0.626159 0.139118 B\n0.221284 0.146883 0.277134 B\n0.849051 0.359954 0.124894 B\n0.884618 0.558310 0.616924 B\n0.221284 0.853117 0.722866 B\n0.632495 0.285310 0.030724 B\n0.181939 0.880424 0.304829 B\n0.778716 0.146883 0.222866 B\n0.366757 0.333443 0.060709 B\n0.076612 0.626159 0.360882 B\n0.563823 0.172016 0.552167 B\n0.818061 0.880424 0.195171 B\n0.436177 0.827984 0.052167 B\n0.778716 0.853117 0.777134 B\n0.076612 0.373841 0.639118 B\n0.367505 0.285310 0.469276 B\n0.633243 0.333443 0.439291 B\n0.436177 0.172016 0.947833 B\n0.323098 0.042145 0.815291 B\n0.923388 0.373841 0.860882 B\n0.115382 0.558310 0.883076 B\n0.150949 0.640046 0.624894 B\n0.366757 0.666557 0.939291 B\n0.818061 0.119576 0.804829 B\n0.181939 0.119576 0.695171 B\n0.884618 0.441690 0.383076 B\n0.632495 0.714690 0.969276 B\n0.676902 0.957855 0.315291 B\n0.367505 0.714690 0.530724 B\n0.730801 0.578760 0.603756 O\n0.586443 0.799235 0.038981 O\n0.013035 0.330102 0.115846 O\n0.924470 0.409715 0.632246 O\n0.730801 0.421240 0.396244 O\n0.221209 0.706707 0.549589 O\n0.986965 0.330102 0.384154 O\n0.298079 0.106048 0.203743 O\n0.481426 0.646459 0.578199 O\n0.778791 0.293293 0.049589 O\n0.518574 0.353541 0.078199 O\n0.778791 0.706707 0.950411 O\n0.787485 0.291277 0.202173 O\n0.676173 0.234416 0.502589 O\n0.160047 0.970000 0.674848 O\n0.724979 0.842936 0.262655 O\n0.212515 0.291277 0.297827 O\n0.813432 0.477459 0.867325 O\n0.599461 0.928634 0.386732 O\n0.323827 0.765584 0.002589 O\n0.599461 0.071366 0.613268 O\n0.839953 0.970000 0.825152 O\n0.586443 0.200765 0.961019 O\n0.013035 0.669898 0.884154 O\n0.400539 0.928634 0.113268 O\n0.400539 0.071366 0.886732 O\n0.212515 0.708723 0.702173 O\n0.075530 0.409715 0.867754 O\n0.186568 0.522541 0.367325 O\n0.924470 0.590285 0.367754 O\n0.701921 0.893952 0.703743 O\n0.323827 0.234416 0.997411 O\n0.103413 0.221187 0.650209 O\n0.896587 0.778813 0.150209 O\n0.298079 0.893952 0.796257 O\n0.103413 0.778813 0.349791 O\n0.839953 0.030000 0.174848 O\n0.269199 0.578760 0.896244 O\n0.986965 0.669898 0.615846 O\n0.896587 0.221187 0.849791 O\n0.413557 0.200765 0.538981 O\n0.518574 0.646459 0.921801 O\n0.075530 0.590285 0.132246 O\n0.275021 0.157064 0.762655 O\n0.269199 0.421240 0.103756 O\n0.787485 0.708723 0.797827 O\n0.221209 0.293293 0.450411 O\n0.275021 0.842936 0.237345 O\n0.413557 0.799235 0.461019 O\n0.813432 0.522541 0.132675 O\n0.724979 0.157064 0.737345 O\n0.160047 0.030000 0.325152 O\n0.481426 0.353541 0.421801 O\n0.186568 0.477459 0.632675 O\n0.676173 0.765584 0.497411 O\n0.701921 0.106048 0.296257 O\n",
"nsites": 96,
"nelements": 3,
"elements": [
"Cs",
"B",
"O"
],
"chemical_system": "B-Cs-O",
"density": 2.3868713464411577,
"density_atomic": 0.07595350159007447,
"volume": 1263.931194615854,
"volume_molar": 7.928720380137111,
"formula_full": "Cs4 B36 O56",
"formula_reduced": "CsB9O14",
"formula_anonymous": "AB9C14",
"energy": -792.7838092699999,
"energy_per_atom": -8.258164679895833,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -754.31180927,
"band_gap": 5.4514,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009636,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.989000Z",
"spacegroup": 17
},
{
"id": "mp-1097258",
"created_at": "2022-09-04T14:45:20.477976Z",
"structure_string": "Cd1 Hg1 Pd2\n1.0\n-5.277464 5.609844 7.933267\n5.277464 -5.609844 7.933267\n5.277464 5.609844 -7.933267\nCd Hg Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Hg\n0.000000 0.247288 0.247288 Pd\n0.000000 0.752712 0.752712 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Hg",
"Pd"
],
"chemical_system": "Cd-Hg-Pd",
"density": 0.9294272818735252,
"density_atomic": 0.004257668701802117,
"volume": 939.4812701859458,
"volume_molar": 141.44221126108394,
"formula_full": "Cd1 Hg1 Pd2",
"formula_reduced": "CdHgPd2",
"formula_anonymous": "ABC2",
"energy": -6.87484207,
"energy_per_atom": -1.7187105175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.87484207,
"band_gap": 0.4955999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000175,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.828000Z",
"spacegroup": 71
}
]
}