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=formation_energy&page=77",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=75",
"results": [
{
"id": "mp-1185104",
"created_at": "2022-09-04T14:47:36.711565Z",
"structure_string": "K1 In3\n1.0\n0.000000 3.911799 3.911799\n3.911799 0.000000 3.911799\n3.911799 3.911799 0.000000\nK In\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"In"
],
"chemical_system": "In-K",
"density": 5.320030218744051,
"density_atomic": 0.03341184066506905,
"volume": 119.71803768901201,
"volume_molar": 18.023971861855387,
"formula_full": "K1 In3",
"formula_reduced": "KIn3",
"formula_anonymous": "AB3",
"energy": -9.47632707,
"energy_per_atom": -2.3690817675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.47632707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.003000Z",
"spacegroup": 225
},
{
"id": "mp-1042104",
"created_at": "2022-09-04T14:47:29.588625Z",
"structure_string": "Zn4 Ni4 P8 O28\n1.0\n-3.549206 6.049474 0.598172\n-2.078413 -5.979785 6.564231\n5.667470 -0.122282 7.576489\nZn Ni P O\n4 4 8 28\ndirect\n0.494241 0.837933 0.823706 Zn\n0.994104 0.337824 0.323722 Zn\n0.005656 0.662009 0.676259 Zn\n0.505741 0.162007 0.176378 Zn\n0.555740 0.395320 0.809386 Ni\n0.944263 0.104468 0.690698 Ni\n0.055940 0.895720 0.309301 Ni\n0.444038 0.604208 0.190668 Ni\n0.299603 0.613040 0.482500 P\n0.799516 0.112871 0.982722 P\n0.200487 0.887025 0.017443 P\n0.700565 0.387139 0.517313 P\n0.290331 0.092508 0.522181 P\n0.790192 0.592461 0.022322 P\n0.209513 0.407515 0.977732 P\n0.709682 0.907591 0.477589 P\n0.747114 0.051828 0.845283 O\n0.247257 0.551199 0.345652 O\n0.752952 0.448018 0.654873 O\n0.252702 0.948643 0.154433 O\n0.347143 0.481637 0.642105 O\n0.847272 0.981401 0.142069 O\n0.153108 0.018652 0.857963 O\n0.653197 0.518819 0.357867 O\n0.133836 0.685368 0.481506 O\n0.633853 0.185149 0.982196 O\n0.366248 0.814656 0.018478 O\n0.866180 0.314614 0.518288 O\n0.226023 0.584601 0.840805 O\n0.726187 0.084700 0.340799 O\n0.273963 0.915496 0.659132 O\n0.773770 0.415401 0.159166 O\n0.300556 0.091283 0.362070 O\n0.799829 0.591352 0.862079 O\n0.199441 0.408659 0.137952 O\n0.700078 0.908493 0.637979 O\n0.496253 0.221516 0.570525 O\n0.996317 0.721302 0.070867 O\n0.003649 0.278568 0.929174 O\n0.503715 0.779006 0.428784 O\n0.883449 0.839011 0.486633 O\n0.383375 0.339068 0.986772 O\n0.616446 0.661049 0.013349 O\n0.116475 0.160871 0.513289 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Zn",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-Zn",
"density": 3.9697140006092613,
"density_atomic": 0.0882307378667861,
"volume": 498.69241790126205,
"volume_molar": 6.825445310332145,
"formula_full": "Zn4 Ni4 P8 O28",
"formula_reduced": "ZnNiP2O7",
"formula_anonymous": "ABC2D7",
"energy": -311.66673698,
"energy_per_atom": -7.083334931363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -282.26673698,
"band_gap": 3.5472,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.765000Z",
"spacegroup": 2
},
{
"id": "mp-865536",
"created_at": "2022-09-04T14:47:29.590611Z",
"structure_string": "Yb1 Zr1 Rh2\n1.0\n0.000000 3.308900 3.308900\n3.308900 0.000000 3.308900\n3.308900 3.308900 0.000000\nYb Zr Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Zr",
"Rh"
],
"chemical_system": "Rh-Yb-Zr",
"density": 10.772967001492734,
"density_atomic": 0.0552050831958681,
"volume": 72.457095767938,
"volume_molar": 10.908670744383073,
"formula_full": "Yb1 Zr1 Rh2",
"formula_reduced": "YbZrRh2",
"formula_anonymous": "ABC2",
"energy": -27.83443508,
"energy_per_atom": -6.95860877,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.83443508,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.419000Z",
"spacegroup": 225
},
{
"id": "mp-1102883",
"created_at": "2022-09-04T14:47:29.591532Z",
"structure_string": "Y4 O8\n1.0\n5.621322 0.000000 -3.409908\n0.000000 6.167901 0.000000\n-0.363498 0.000000 6.577161\nY O\n4 8\ndirect\n0.248857 0.377378 0.497469 Y\n0.751143 0.877378 0.002531 Y\n0.751143 0.622622 0.502531 Y\n0.248857 0.122622 0.997469 Y\n0.454886 0.130983 0.800843 O\n0.545114 0.630983 0.699157 O\n0.545114 0.869017 0.199157 O\n0.454886 0.369017 0.300843 O\n0.033748 0.356308 0.684288 O\n0.966252 0.856308 0.815712 O\n0.966252 0.643692 0.315712 O\n0.033748 0.143692 0.184288 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Y",
"O"
],
"chemical_system": "O-Y",
"density": 3.6437376664027235,
"density_atomic": 0.05444728832308978,
"volume": 220.39665095517879,
"volume_molar": 11.060497125705627,
"formula_full": "Y4 O8",
"formula_reduced": "YO2",
"formula_anonymous": "AB2",
"energy": -101.35047656999998,
"energy_per_atom": -8.4458730475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.85447657,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9997963,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.991000Z",
"spacegroup": 14
},
{
"id": "mp-584122",
"created_at": "2022-09-04T14:47:29.597800Z",
"structure_string": "Li4 Co6 P8 O28\n1.0\n7.961826 0.000000 0.000000\n0.000000 7.341727 0.000000\n0.000000 3.244682 8.958378\nLi Co P O\n4 6 8 28\ndirect\n0.415110 0.707747 0.861740 Li\n0.084890 0.707747 0.361740 Li\n0.584890 0.292253 0.138260 Li\n0.915110 0.292253 0.638260 Li\n0.625758 0.189071 0.481357 Co\n0.874242 0.189071 0.981357 Co\n0.374242 0.810929 0.518643 Co\n0.000000 0.000000 0.500000 Co\n0.125758 0.810929 0.018643 Co\n0.500000 0.000000 0.000000 Co\n0.707075 0.886279 0.305622 P\n0.454620 0.598552 0.282006 P\n0.045380 0.598552 0.782006 P\n0.792925 0.886279 0.805622 P\n0.954620 0.401448 0.217994 P\n0.545380 0.401448 0.717994 P\n0.292925 0.113721 0.694378 P\n0.207075 0.113721 0.194378 P\n0.895434 0.280972 0.377790 O\n0.999402 0.611016 0.199846 O\n0.499402 0.388984 0.300154 O\n0.104566 0.719028 0.622210 O\n0.137477 0.318608 0.191105 O\n0.879170 0.851871 0.378014 O\n0.000598 0.388984 0.800154 O\n0.362523 0.318608 0.691105 O\n0.120830 0.148129 0.621986 O\n0.083517 0.031784 0.106520 O\n0.637477 0.681392 0.308895 O\n0.604566 0.280972 0.877790 O\n0.862523 0.681392 0.808895 O\n0.794610 0.014107 0.638368 O\n0.165444 0.624062 0.899548 O\n0.379170 0.148129 0.121986 O\n0.416483 0.031784 0.606520 O\n0.294610 0.985893 0.861632 O\n0.205390 0.985893 0.361632 O\n0.583517 0.968216 0.393480 O\n0.334556 0.624062 0.399548 O\n0.705390 0.014107 0.138368 O\n0.916483 0.968216 0.893480 O\n0.834556 0.375938 0.100452 O\n0.665444 0.375938 0.600452 O\n0.500598 0.611016 0.699846 O\n0.395434 0.719028 0.122210 O\n0.620830 0.851871 0.878014 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.4156985026168987,
"density_atomic": 0.08784509858429392,
"volume": 523.6490224421523,
"volume_molar": 6.855408960832696,
"formula_full": "Li4 Co6 P8 O28",
"formula_reduced": "Li2Co3(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -342.38519163,
"energy_per_atom": -7.443156339782609,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.32119163,
"band_gap": 2.8176,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0000028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.509000Z",
"spacegroup": 14
},
{
"id": "mp-1025768",
"created_at": "2022-09-04T14:47:29.614595Z",
"structure_string": "Te2 Mo1 W2 Se2 S2\n1.0\n1.672585 -2.897002 0.000000\n1.672585 2.897002 0.000000\n0.000000 0.000000 31.008151\nTe Mo W Se S\n2 1 2 2 2\ndirect\n0.333333 0.666667 0.408018 Te\n0.333333 0.666667 0.285864 Te\n0.666667 0.333333 0.346986 Mo\n0.333333 0.666667 0.115647 W\n0.333333 0.666667 0.578368 W\n0.666667 0.333333 0.524387 Se\n0.666667 0.333333 0.632294 Se\n0.666667 0.333333 0.066556 S\n0.666667 0.333333 0.164722 S\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.199192051120702,
"density_atomic": 0.029950194758944313,
"volume": 300.49888063957394,
"volume_molar": 20.107183971488364,
"formula_full": "Te2 Mo1 W2 Se2 S2",
"formula_reduced": "Te2MoW2(SeS)2",
"formula_anonymous": "AB2C2D2E2",
"energy": -65.56110154,
"energy_per_atom": -7.284566837777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.76710154,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:08.837000Z",
"spacegroup": 156
},
{
"id": "mp-568779",
"created_at": "2022-09-04T14:47:29.618452Z",
"structure_string": "Tb6 Cu2 Si2 Se14\n1.0\n5.191524 -8.991983 0.000000\n5.191524 8.991983 0.000000\n0.000000 0.000000 6.031980\nTb Cu Si Se\n6 2 2 14\ndirect\n0.129932 0.355339 0.740797 Tb\n0.644661 0.774593 0.740797 Tb\n0.225407 0.870068 0.740797 Tb\n0.774593 0.129932 0.240797 Tb\n0.870068 0.644661 0.240797 Tb\n0.355339 0.225407 0.240797 Tb\n0.000000 0.000000 0.183942 Cu\n0.000000 0.000000 0.683942 Cu\n0.666667 0.333333 0.829428 Si\n0.333333 0.666667 0.329428 Si\n0.666667 0.333333 0.452670 Se\n0.836374 0.096960 0.710985 Se\n0.163626 0.903040 0.210985 Se\n0.898509 0.418794 0.984671 Se\n0.903040 0.739414 0.710985 Se\n0.520285 0.101491 0.984671 Se\n0.333333 0.666667 0.952670 Se\n0.260586 0.163626 0.710985 Se\n0.096960 0.260586 0.210985 Se\n0.739414 0.836374 0.210985 Se\n0.479715 0.898509 0.484671 Se\n0.418794 0.520285 0.484671 Se\n0.581206 0.479715 0.984671 Se\n0.101491 0.581206 0.484671 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Tb",
"Cu",
"Si",
"Se"
],
"chemical_system": "Cu-Se-Si-Tb",
"density": 6.6114068920070075,
"density_atomic": 0.04261583575113408,
"volume": 563.1709334566158,
"volume_molar": 14.131227638401391,
"formula_full": "Tb6 Cu2 Si2 Se14",
"formula_reduced": "Tb3CuSiSe7",
"formula_anonymous": "ABC3D7",
"energy": -134.05859777,
"energy_per_atom": -5.585774907083334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.45059777,
"band_gap": 1.4882,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.58e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.017000Z",
"spacegroup": 173
},
{
"id": "mp-554517",
"created_at": "2022-09-04T14:47:29.621159Z",
"structure_string": "Na2 Mn2 F8\n1.0\n5.017377 0.000000 0.000000\n0.000000 5.853512 0.000000\n0.000000 1.891545 5.597396\nNa Mn F\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.149090 0.307507 0.886406 F\n0.649090 0.692493 0.613594 F\n0.850910 0.692493 0.113594 F\n0.350910 0.307507 0.386406 F\n0.234619 0.880801 0.334227 F\n0.734619 0.119199 0.165773 F\n0.765381 0.119199 0.665773 F\n0.265381 0.880801 0.834227 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Mn",
"F"
],
"chemical_system": "F-Mn-Na",
"density": 3.1095596601743445,
"density_atomic": 0.07299648789739785,
"volume": 164.3914706809856,
"volume_molar": 8.249904801535905,
"formula_full": "Na2 Mn2 F8",
"formula_reduced": "NaMnF4",
"formula_anonymous": "ABC4",
"energy": -71.18219714,
"energy_per_atom": -5.931849761666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.15019714,
"band_gap": 1.7974,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0010504,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:13.848000Z",
"spacegroup": 14
},
{
"id": "mp-1192095",
"created_at": "2022-09-04T14:47:29.628342Z",
"structure_string": "Cr6 Cl18\n1.0\n9.170457 5.963608 0.000000\n-9.170457 5.963608 0.000000\n0.000000 5.062055 5.921424\nCr Cl\n6 18\ndirect\n0.375815 0.624185 0.500000 Cr\n0.624185 0.375815 0.500000 Cr\n0.906330 0.093670 0.000000 Cr\n0.093670 0.906330 0.000000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.313151 0.680358 0.263907 Cl\n0.319642 0.686849 0.736093 Cl\n0.686849 0.319642 0.736093 Cl\n0.680358 0.313151 0.263907 Cl\n0.887135 0.084983 0.709875 Cl\n0.915017 0.112865 0.290125 Cl\n0.112865 0.915017 0.290125 Cl\n0.084983 0.887135 0.709875 Cl\n0.378867 0.040344 0.788622 Cl\n0.959656 0.621133 0.211378 Cl\n0.621133 0.959656 0.211378 Cl\n0.040344 0.378867 0.788622 Cl\n0.746818 0.746818 0.706983 Cl\n0.253182 0.253182 0.293017 Cl\n0.481029 0.481029 0.711991 Cl\n0.518971 0.518971 0.288009 Cl\n0.171721 0.171721 0.817091 Cl\n0.828279 0.828279 0.182909 Cl\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 2.4359938076634404,
"density_atomic": 0.03705569976668186,
"volume": 647.6736413322109,
"volume_molar": 16.2515909776847,
"formula_full": "Cr6 Cl18",
"formula_reduced": "CrCl3",
"formula_anonymous": "AB3",
"energy": -122.19313545,
"energy_per_atom": -5.09138064375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.14113544999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0022505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.214000Z",
"spacegroup": 12
},
{
"id": "mp-1220265",
"created_at": "2022-09-04T14:47:29.634404Z",
"structure_string": "Nd8 Cd2 Si6 O26\n1.0\n4.828193 -8.362676 0.000000\n4.828193 8.362676 0.000000\n0.000000 0.000000 7.014805\nNd Cd Si O\n8 2 6 26\ndirect\n0.333333 0.666667 0.995793 Nd\n0.666667 0.333333 0.495793 Nd\n0.240906 0.007598 0.747991 Nd\n0.766692 0.759094 0.747991 Nd\n0.992402 0.233308 0.747991 Nd\n0.759094 0.992402 0.247991 Nd\n0.233308 0.240906 0.247991 Nd\n0.007598 0.766692 0.247991 Nd\n0.666667 0.333333 0.992735 Cd\n0.333333 0.666667 0.492735 Cd\n0.029021 0.627601 0.748806 Si\n0.598580 0.970979 0.748806 Si\n0.372399 0.401420 0.748806 Si\n0.970979 0.372399 0.248806 Si\n0.401420 0.029021 0.248806 Si\n0.627601 0.598580 0.248806 Si\n0.128782 0.530433 0.738064 O\n0.401651 0.871218 0.738064 O\n0.469567 0.598349 0.738064 O\n0.871218 0.469567 0.238064 O\n0.598349 0.128782 0.238064 O\n0.530433 0.401651 0.238064 O\n0.098905 0.742678 0.939603 O\n0.643773 0.901095 0.939603 O\n0.257322 0.356227 0.939603 O\n0.901095 0.257322 0.439603 O\n0.356227 0.098905 0.439603 O\n0.742678 0.643773 0.439603 O\n0.924666 0.244574 0.071482 O\n0.319909 0.075334 0.071482 O\n0.755426 0.680091 0.071482 O\n0.075334 0.755426 0.571482 O\n0.680091 0.924666 0.571482 O\n0.244574 0.319909 0.571482 O\n0.000000 0.000000 0.763572 O\n0.000000 0.000000 0.263572 O\n0.834960 0.510412 0.753347 O\n0.675452 0.165040 0.753347 O\n0.489588 0.324548 0.753347 O\n0.165040 0.489588 0.253347 O\n0.324548 0.834960 0.253347 O\n0.510412 0.675452 0.253347 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Nd",
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-Nd-O-Si",
"density": 5.755067298690302,
"density_atomic": 0.07414362214179798,
"volume": 566.4681436749335,
"volume_molar": 8.122264041110364,
"formula_full": "Nd8 Cd2 Si6 O26",
"formula_reduced": "Nd4CdSi3O13",
"formula_anonymous": "AB3C4D13",
"energy": -346.31634246000004,
"energy_per_atom": -8.245627201428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -328.45434246,
"band_gap": 3.4103,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.002386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.890000Z",
"spacegroup": 173
},
{
"id": "mp-1215192",
"created_at": "2022-09-04T14:47:29.641711Z",
"structure_string": "Zr2 Ti2 Cu2 S8\n1.0\n-3.605577 3.651789 5.123602\n3.605577 -3.651789 5.123602\n3.605577 3.651789 -5.123602\nZr Ti Cu S\n2 2 2 8\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.000000 0.500000 Zr\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.377405 0.627405 0.750000 Cu\n0.622595 0.372595 0.250000 Cu\n0.241779 0.741188 0.999409 S\n0.241779 0.242371 0.500591 S\n0.234102 0.748085 0.486017 S\n0.762068 0.748085 0.013983 S\n0.758221 0.258812 0.000591 S\n0.758221 0.757629 0.499409 S\n0.765898 0.251915 0.513983 S\n0.237932 0.251915 0.986017 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Ti",
"Cu",
"S"
],
"chemical_system": "Cu-S-Ti-Zr",
"density": 4.072453125718033,
"density_atomic": 0.05188146214391751,
"volume": 269.8459029771453,
"volume_molar": 11.607500080269086,
"formula_full": "Zr2 Ti2 Cu2 S8",
"formula_reduced": "ZrTiCuS4",
"formula_anonymous": "ABCD4",
"energy": -95.30306111,
"energy_per_atom": -6.807361507857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.27906111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1607381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:14.166000Z",
"spacegroup": 74
},
{
"id": "mp-2524",
"created_at": "2022-09-04T14:47:29.642557Z",
"structure_string": "Nd1 Ga2\n1.0\n2.142230 -3.710452 0.000000\n2.142230 3.710452 0.000000\n0.000000 0.000000 4.302956\nNd Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.500000 Ga\n0.666667 0.333333 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Nd",
"Ga"
],
"chemical_system": "Ga-Nd",
"density": 6.886526887311071,
"density_atomic": 0.04385624447693626,
"volume": 68.40531002552402,
"volume_molar": 13.73154685683816,
"formula_full": "Nd1 Ga2",
"formula_reduced": "NdGa2",
"formula_anonymous": "AB2",
"energy": -12.90317886,
"energy_per_atom": -4.30105962,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.90317886,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:08.465000Z",
"spacegroup": 191
}
]
}