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_per_atom&page=11517",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=11515",
"results": [
{
"id": "mp-1199821",
"created_at": "2022-09-04T14:42:57.186694Z",
"structure_string": "P8 C8 S8 N24 O16\n1.0\n14.154236 0.000000 0.000000\n0.000000 9.711954 0.000000\n0.000000 8.191900 9.643369\nP C S N O\n8 8 8 24 16\ndirect\n0.521413 0.793320 0.360824 P\n0.978587 0.793320 0.860824 P\n0.478587 0.206680 0.639176 P\n0.021413 0.206680 0.139176 P\n0.085676 0.532484 0.856113 P\n0.414324 0.532484 0.356113 P\n0.914324 0.467516 0.143887 P\n0.585676 0.467516 0.643887 P\n0.684862 0.777902 0.106718 C\n0.815138 0.777902 0.606718 C\n0.315138 0.222098 0.893282 C\n0.184862 0.222098 0.393282 C\n0.480928 0.738521 0.767933 C\n0.019072 0.738521 0.267933 C\n0.519072 0.261479 0.232067 C\n0.980928 0.261479 0.732067 C\n0.907957 0.040929 0.154930 S\n0.592043 0.040929 0.654930 S\n0.092043 0.959071 0.845070 S\n0.407957 0.959071 0.345070 S\n0.591057 0.517019 0.783770 S\n0.908943 0.517019 0.283770 S\n0.408943 0.482981 0.216230 S\n0.091057 0.482981 0.716230 S\n0.171905 0.029268 0.510050 N\n0.328095 0.029268 0.010050 N\n0.828095 0.970732 0.489950 N\n0.671905 0.970732 0.989950 N\n0.694787 0.646845 0.228521 N\n0.805213 0.646845 0.728521 N\n0.305213 0.353155 0.771479 N\n0.194787 0.353155 0.271479 N\n0.674976 0.869888 0.960105 N\n0.825024 0.869888 0.460105 N\n0.325024 0.130112 0.039895 N\n0.174976 0.130112 0.539895 N\n0.483502 0.589899 0.774428 N\n0.016498 0.589899 0.274428 N\n0.516498 0.410101 0.225572 N\n0.983502 0.410101 0.725572 N\n0.438450 0.158250 0.277232 N\n0.061550 0.158250 0.777232 N\n0.561550 0.841750 0.722768 N\n0.938450 0.841750 0.222768 N\n0.097512 0.772416 0.303072 N\n0.402488 0.772416 0.803072 N\n0.902488 0.227584 0.696928 N\n0.597512 0.227584 0.196928 N\n0.614723 0.874939 0.306776 O\n0.885277 0.874939 0.806776 O\n0.385277 0.125061 0.693224 O\n0.114723 0.125061 0.193224 O\n0.181909 0.532105 0.898844 O\n0.318091 0.532105 0.398844 O\n0.818091 0.467895 0.101156 O\n0.681909 0.467895 0.601156 O\n0.012211 0.379319 0.974689 O\n0.487789 0.379319 0.474689 O\n0.987789 0.620681 0.025311 O\n0.512211 0.620681 0.525311 O\n0.524135 0.286522 0.708963 O\n0.975865 0.286522 0.208963 O\n0.475865 0.713478 0.291037 O\n0.024135 0.713478 0.791037 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"P",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-N-O-P-S",
"density": 1.4938353397865762,
"density_atomic": 0.04827898594104654,
"volume": 1325.6285059124975,
"volume_molar": 12.473627278239928,
"formula_full": "P8 C8 S8 N24 O16",
"formula_reduced": "PCSN3O2",
"formula_anonymous": "ABCD2E3",
"energy": -444.2050927,
"energy_per_atom": -6.9407045734375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -424.5490927,
"band_gap": 0.7656000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9731256,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.303000Z",
"spacegroup": 14
},
{
"id": "mp-862635",
"created_at": "2022-09-04T14:42:57.208932Z",
"structure_string": "Sc1 Sb1 Rh2\n1.0\n0.000000 3.237621 3.237621\n3.237621 0.000000 3.237621\n3.237621 3.237621 0.000000\nSc Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Sb",
"Rh"
],
"chemical_system": "Rh-Sb-Sc",
"density": 9.1137839535697,
"density_atomic": 0.05893210726595015,
"volume": 67.87471525409246,
"volume_molar": 10.2187772326266,
"formula_full": "Sc1 Sb1 Rh2",
"formula_reduced": "ScSbRh2",
"formula_anonymous": "ABC2",
"energy": -28.32942583,
"energy_per_atom": -7.0823564575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.32942583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.857000Z",
"spacegroup": 225
},
{
"id": "mp-1206074",
"created_at": "2022-09-04T14:42:57.260003Z",
"structure_string": "Nd2 P3 Rh3\n1.0\n2.902727 0.000000 0.000000\n0.000000 2.902727 0.000000\n0.000000 0.000000 19.781509\nNd P Rh\n2 3 3\ndirect\n0.500000 0.500000 0.753787 Nd\n0.500000 0.500000 0.246213 Nd\n0.500000 0.500000 0.387619 P\n0.500000 0.500000 0.612381 P\n0.500000 0.500000 0.000000 P\n0.500000 0.500000 0.107259 Rh\n0.500000 0.500000 0.892741 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"P",
"Rh"
],
"chemical_system": "Nd-P-Rh",
"density": 6.87548013974646,
"density_atomic": 0.04799745210008064,
"volume": 166.67551401101474,
"volume_molar": 12.546792582746036,
"formula_full": "Nd2 P3 Rh3",
"formula_reduced": "Nd2(PRh)3",
"formula_anonymous": "A2B3C3",
"energy": -43.95880464,
"energy_per_atom": -5.49485058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.95880464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0650224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.666000Z",
"spacegroup": 123
},
{
"id": "mp-542515",
"created_at": "2022-09-04T14:42:57.863593Z",
"structure_string": "Gd4 Te8 O22\n1.0\n2.612344 6.304854 0.000000\n-2.612344 6.304854 0.000000\n0.000000 4.287041 15.862226\nGd Te O\n4 8 22\ndirect\n0.630144 0.131661 0.037584 Gd\n0.868339 0.369856 0.462416 Gd\n0.369856 0.868339 0.962416 Gd\n0.131661 0.630144 0.537584 Gd\n0.588711 0.152403 0.374297 Te\n0.847597 0.411289 0.125703 Te\n0.411289 0.847597 0.625703 Te\n0.152403 0.588711 0.874297 Te\n0.156109 0.602471 0.199178 Te\n0.397529 0.843891 0.300822 Te\n0.843891 0.397529 0.800822 Te\n0.602471 0.156109 0.699178 Te\n0.683656 0.812371 0.371834 O\n0.187629 0.316344 0.128166 O\n0.316344 0.187629 0.628166 O\n0.812371 0.683656 0.871834 O\n0.249737 0.334763 0.446668 O\n0.665237 0.750263 0.053332 O\n0.750263 0.665237 0.553332 O\n0.334763 0.249737 0.946668 O\n0.819047 0.040402 0.454389 O\n0.959598 0.180953 0.045611 O\n0.180953 0.959598 0.545611 O\n0.040402 0.819047 0.954389 O\n0.443022 0.606606 0.401882 O\n0.393394 0.556978 0.098118 O\n0.556978 0.393394 0.598118 O\n0.606606 0.443022 0.901882 O\n0.092745 0.204012 0.331561 O\n0.795988 0.907255 0.168439 O\n0.907255 0.795988 0.668439 O\n0.204012 0.092745 0.831561 O\n0.145879 0.854121 0.250000 O\n0.854121 0.145879 0.750000 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Gd",
"Te",
"O"
],
"chemical_system": "Gd-O-Te",
"density": 6.361615113303349,
"density_atomic": 0.06506978751887287,
"volume": 522.5159216962039,
"volume_molar": 9.254895381751993,
"formula_full": "Gd4 Te8 O22",
"formula_reduced": "Gd2Te4O11",
"formula_anonymous": "A2B4C11",
"energy": -267.81694926,
"energy_per_atom": -7.876969095882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -252.70294926,
"band_gap": 0.2480000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.9978596,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.608000Z",
"spacegroup": 15
},
{
"id": "mp-771774",
"created_at": "2022-09-04T14:42:58.034014Z",
"structure_string": "Na4 Si2 Sn2 C2 O14\n1.0\n6.704972 0.000000 0.000000\n0.000000 5.351069 0.000000\n0.000000 0.201526 9.194572\nNa Si Sn C O\n4 2 2 2 14\ndirect\n0.992692 0.759252 0.775833 Na\n0.507308 0.759252 0.775833 Na\n0.492692 0.240748 0.224167 Na\n0.007308 0.240748 0.224167 Na\n0.750000 0.285770 0.574208 Si\n0.250000 0.714230 0.425792 Si\n0.250000 0.208574 0.639309 Sn\n0.750000 0.791426 0.360691 Sn\n0.250000 0.273652 0.921753 C\n0.750000 0.726348 0.078247 C\n0.750000 0.685894 0.944576 O\n0.250000 0.050468 0.864755 O\n0.250000 0.460394 0.821896 O\n0.946318 0.196545 0.667175 O\n0.553682 0.196545 0.667175 O\n0.250000 0.836743 0.588911 O\n0.750000 0.596170 0.553716 O\n0.250000 0.403830 0.446284 O\n0.750000 0.163257 0.411089 O\n0.446318 0.803455 0.332825 O\n0.053682 0.803455 0.332825 O\n0.750000 0.539606 0.178104 O\n0.750000 0.949532 0.135245 O\n0.250000 0.314106 0.055424 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Na",
"Si",
"Sn",
"C",
"O"
],
"chemical_system": "C-Na-O-Si-Sn",
"density": 3.189113083591665,
"density_atomic": 0.07275154221253718,
"volume": 329.8899139469254,
"volume_molar": 8.277681237886133,
"formula_full": "Na4 Si2 Sn2 C2 O14",
"formula_reduced": "Na2SiSnCO7",
"formula_anonymous": "ABCD2E7",
"energy": -168.74874194,
"energy_per_atom": -7.031197580833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.13074194,
"band_gap": 3.0973999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 8.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.251000Z",
"spacegroup": 11
},
{
"id": "mp-1518907",
"created_at": "2022-09-04T14:42:58.129002Z",
"structure_string": "Ba2 Sr2 Dy2 Sb2 O12\n1.0\n5.962205 -0.010966 -0.008011\n-0.012427 5.961509 -0.008652\n-0.012796 -0.013614 8.427176\nBa Sr Dy Sb O\n2 2 2 2 12\ndirect\n0.504227 0.517489 0.249744 Ba\n0.495773 0.482511 0.750256 Ba\n0.996817 0.023157 0.250759 Sr\n0.003183 0.976843 0.749241 Sr\n0.000000 0.500000 -0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.000000 -0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.234139 0.205775 0.968567 O\n0.258485 0.714812 0.527607 O\n0.765861 0.794225 0.031433 O\n0.741515 0.285188 0.472393 O\n0.287214 0.739884 0.971000 O\n0.203782 0.231549 0.529776 O\n0.712786 0.260116 0.029000 O\n0.796218 0.768451 0.470224 O\n0.436520 0.996235 0.235894 O\n0.048158 0.485141 0.263592 O\n0.563480 0.003765 0.764106 O\n0.951842 0.514859 0.736408 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Sb",
"O"
],
"chemical_system": "Ba-Dy-O-Sb-Sr",
"density": 6.710252351238898,
"density_atomic": 0.06677107929044428,
"volume": 299.53087792699847,
"volume_molar": 9.019085544213809,
"formula_full": "Ba2 Sr2 Dy2 Sb2 O12",
"formula_reduced": "BaSrDySbO6",
"formula_anonymous": "ABCDE6",
"energy": -145.79423131,
"energy_per_atom": -7.289711565499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.55023131,
"band_gap": 3.5497,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.218000Z",
"spacegroup": 2
},
{
"id": "mp-30593",
"created_at": "2022-09-04T14:42:58.149377Z",
"structure_string": "Zn1 Cu2 Ni1\n1.0\n3.595075 0.000000 0.000000\n0.000000 3.595075 0.000000\n0.000000 0.000000 3.690629\nZn Cu Ni\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Zn",
"density": 8.744656421738975,
"density_atomic": 0.08385784378592634,
"volume": 47.69977165417304,
"volume_molar": 7.181368478032203,
"formula_full": "Zn1 Cu2 Ni1",
"formula_reduced": "ZnCu2Ni",
"formula_anonymous": "ABC2",
"energy": -15.72799494,
"energy_per_atom": -3.931998735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.72799494,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004084,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.017000Z",
"spacegroup": 123
},
{
"id": "mp-1225015",
"created_at": "2022-09-04T14:42:58.152882Z",
"structure_string": "Fe2 P2 H10 N2 O8 F2\n1.0\n0.000000 0.078062 -5.105935\n0.000000 -5.647384 0.083322\n-8.750654 0.000000 0.000000\nFe P H N O F\n2 2 10 2 8 2\ndirect\n0.517233 0.505864 0.486870 Fe\n0.017233 0.005864 0.513130 Fe\n0.445527 0.014029 0.300603 P\n0.945527 0.514029 0.699397 P\n0.206457 0.498704 0.945576 H\n0.706457 0.998704 0.054424 H\n0.256672 0.497400 0.135983 H\n0.756672 0.997400 0.864017 H\n0.462541 0.350411 0.026651 H\n0.467049 0.651299 0.028216 H\n0.967049 0.151299 0.971784 H\n0.962541 0.850411 0.973349 H\n0.792105 0.277908 0.297787 H\n0.292105 0.777908 0.702213 H\n0.352457 0.499144 0.032340 N\n0.852457 0.999144 0.967660 N\n0.902530 0.500001 0.873078 O\n0.402530 0.000001 0.126922 O\n0.251300 0.557356 0.674023 O\n0.751300 0.057356 0.325977 O\n0.834056 0.290848 0.613992 O\n0.801847 0.724017 0.621725 O\n0.301847 0.224017 0.378275 O\n0.334056 0.790848 0.386008 O\n0.790327 0.473018 0.282188 F\n0.290327 0.973018 0.717812 F\n",
"nsites": 26,
"nelements": 6,
"elements": [
"Fe",
"P",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-Fe-H-N-O-P",
"density": 2.4863176824509563,
"density_atomic": 0.10306428831596699,
"volume": 252.26972819422275,
"volume_molar": 5.843091587202116,
"formula_full": "Fe2 P2 H10 N2 O8 F2",
"formula_reduced": "FePH5NO4F",
"formula_anonymous": "ABCDE4F5",
"energy": -163.02241166,
"energy_per_atom": -6.270092756153845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.36841166,
"band_gap": 3.7068,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000529,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.089000Z",
"spacegroup": 7
},
{
"id": "mp-1064492",
"created_at": "2022-09-04T14:42:59.245784Z",
"structure_string": "Ca2 O2\n1.0\n-1.667634 1.667634 8.513492\n1.667634 -1.667634 8.513492\n1.667634 1.667634 -8.513492\nCa O\n2 2\ndirect\n0.320403 0.320403 0.000000 Ca\n0.679597 0.679597 0.000000 Ca\n0.181814 0.181814 0.000000 O\n0.818186 0.818186 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"O"
],
"chemical_system": "Ca-O",
"density": 1.9665172353429121,
"density_atomic": 0.04223677846081889,
"volume": 94.70419254893257,
"volume_molar": 14.258049452295378,
"formula_full": "Ca2 O2",
"formula_reduced": "CaO",
"formula_anonymous": "AB",
"energy": -26.29143839,
"energy_per_atom": -6.5728595975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.91743839,
"band_gap": 1.8293,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.151000Z",
"spacegroup": 139
},
{
"id": "mp-1202068",
"created_at": "2022-09-04T14:42:57.196800Z",
"structure_string": "Pd2 C8 S8 I4 N16\n1.0\n0.000000 -9.834666 0.000000\n6.845692 -4.917333 -1.742903\n9.551125 -4.917333 10.773923\nPd C S I N\n2 8 8 4 16\ndirect\n0.000000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.633179 0.357895 0.582090 C\n0.573164 0.142105 0.917910 C\n0.366821 0.642105 0.417910 C\n0.426836 0.857895 0.082090 C\n0.024275 0.348231 0.286039 C\n0.658544 0.151769 0.213961 C\n0.975725 0.651769 0.713961 C\n0.341456 0.848231 0.786039 C\n0.642642 0.270378 0.493287 S\n0.406307 0.229622 0.006713 S\n0.357358 0.729622 0.506713 S\n0.593693 0.770378 0.993287 S\n0.051419 0.911326 0.366315 S\n0.329060 0.588674 0.133685 S\n0.948581 0.088674 0.633685 S\n0.670940 0.411326 0.866315 S\n0.799185 0.734139 0.390806 I\n0.924130 0.765861 0.109194 I\n0.200815 0.265861 0.609194 I\n0.075870 0.234139 0.890806 I\n0.759269 0.244634 0.645310 N\n0.649213 0.255366 0.854690 N\n0.240731 0.755366 0.354690 N\n0.350787 0.744634 0.145310 N\n0.509664 0.534053 0.585909 N\n0.629626 0.965947 0.914091 N\n0.490336 0.465947 0.414091 N\n0.370374 0.034053 0.085909 N\n0.050488 0.232541 0.378456 N\n0.661484 0.267459 0.121544 N\n0.949512 0.767459 0.621544 N\n0.338516 0.732541 0.878456 N\n0.020797 0.441075 0.187260 N\n0.649132 0.058925 0.312740 N\n0.979203 0.558925 0.812740 N\n0.350868 0.941075 0.687260 N\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Pd",
"C",
"S",
"I",
"N"
],
"chemical_system": "C-I-N-Pd-S",
"density": 2.422759375330095,
"density_atomic": 0.04274129320081484,
"volume": 889.069963827757,
"volume_molar": 14.089748599102267,
"formula_full": "Pd2 C8 S8 I4 N16",
"formula_reduced": "PdC4S4(IN4)2",
"formula_anonymous": "AB2C4D4E8",
"energy": -240.63195164,
"energy_per_atom": -6.33241978,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -234.85595164,
"band_gap": 0.1353999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.569000Z",
"spacegroup": 15
},
{
"id": "mp-1220735",
"created_at": "2022-09-04T14:42:57.202234Z",
"structure_string": "Na1 La1 W2 O8\n1.0\n-2.717032 2.717032 5.870626\n2.717032 -2.717032 5.870626\n2.717032 2.717032 -5.870626\nNa La W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750000 0.500000 La\n0.750000 0.250000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.985444 0.092271 0.411336 O\n0.680935 0.574108 0.588664 O\n0.825572 0.730579 0.381734 O\n0.348845 0.443838 0.618266 O\n0.269421 0.651155 0.094993 O\n0.556162 0.174428 0.905007 O\n0.425892 0.014556 0.106827 O\n0.907729 0.319065 0.893173 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Na",
"La",
"W",
"O"
],
"chemical_system": "La-Na-O-W",
"density": 6.298794900710253,
"density_atomic": 0.06922250866098442,
"volume": 173.35401782055766,
"volume_molar": 8.699685805224556,
"formula_full": "Na1 La1 W2 O8",
"formula_reduced": "NaLa(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -103.18831848,
"energy_per_atom": -8.59902654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.81631848,
"band_gap": 4.264,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.888000Z",
"spacegroup": 82
},
{
"id": "mp-5452",
"created_at": "2022-09-04T14:42:57.205735Z",
"structure_string": "Ce1 Cu2 Si2\n1.0\n-2.037866 2.037866 4.919276\n2.037866 -2.037866 4.919276\n2.037866 2.037866 -4.919276\nCe Cu Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.620297 0.620297 0.000000 Si\n0.379703 0.379703 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"Si"
],
"chemical_system": "Ce-Cu-Si",
"density": 6.571257460055593,
"density_atomic": 0.06118677682893826,
"volume": 81.71700258012696,
"volume_molar": 9.842225840456154,
"formula_full": "Ce1 Cu2 Si2",
"formula_reduced": "Ce(CuSi)2",
"formula_anonymous": "AB2C2",
"energy": -27.71839596,
"energy_per_atom": -5.543679192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.86039596,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.01041,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:59.788000Z",
"spacegroup": 139
}
]
}