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=-energy_above_hull&page=12138",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=12136",
"results": [
{
"id": "mp-1025022",
"created_at": "2022-09-04T14:39:38.958248Z",
"structure_string": "Ho1 In1 Pt4\n1.0\n0.000000 3.823048 3.823048\n3.823048 0.000000 3.823048\n3.823048 3.823048 0.000000\nHo In Pt\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ho\n0.000000 0.000000 0.000000 In\n0.625296 0.625296 0.625296 Pt\n0.625296 0.625296 0.124112 Pt\n0.625296 0.124112 0.625296 Pt\n0.124112 0.625296 0.625296 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"In",
"Pt"
],
"chemical_system": "Ho-In-Pt",
"density": 15.75180258335967,
"density_atomic": 0.05368982671878685,
"volume": 111.75301480160137,
"volume_molar": 11.216539758160113,
"formula_full": "Ho1 In1 Pt4",
"formula_reduced": "HoInPt4",
"formula_anonymous": "ABC4",
"energy": -36.36146487,
"energy_per_atom": -6.0602441449999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.36146487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.396000Z",
"spacegroup": 216
},
{
"id": "mp-886018",
"created_at": "2022-09-04T14:39:38.962902Z",
"structure_string": "Li5 Co3 Ni2 O10\n1.0\n4.894640 0.000000 0.000000\n-1.008832 4.911852 0.000000\n-1.653810 -2.531285 6.918242\nLi Co Ni O\n5 3 2 10\ndirect\n0.380122 0.093055 0.414533 Li\n0.835969 0.731012 0.776572 Li\n0.500000 0.500000 0.500000 Li\n0.164031 0.268988 0.223428 Li\n0.619878 0.906945 0.585467 Li\n0.000000 0.500000 0.000000 Co\n0.900075 0.097452 0.900048 Co\n0.099925 0.902548 0.099952 Co\n0.714085 0.308889 0.693267 Ni\n0.285915 0.691111 0.306733 Ni\n0.296391 0.378087 0.871662 O\n0.433003 0.829137 0.949682 O\n0.047717 0.221014 0.542264 O\n0.771099 0.000939 0.229267 O\n0.111151 0.562347 0.667689 O\n0.888849 0.437653 0.332311 O\n0.228901 0.999061 0.770733 O\n0.952283 0.778986 0.457736 O\n0.566997 0.170863 0.050318 O\n0.703609 0.621913 0.128338 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.88083779294766,
"density_atomic": 0.1202453300010847,
"volume": 166.32662573939118,
"volume_molar": 5.008211761692263,
"formula_full": "Li5 Co3 Ni2 O10",
"formula_reduced": "Li5Co3(NiO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -67.03149853,
"energy_per_atom": -3.3515749264999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.38549853000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2904826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.964000Z",
"spacegroup": 2
},
{
"id": "mp-1232340",
"created_at": "2022-09-04T14:39:39.039204Z",
"structure_string": "Ba2 Ca1 Cu2 Mo1 O8\n1.0\n3.930482 0.000000 0.000000\n0.000000 3.930482 0.000000\n0.000000 0.000000 12.425837\nBa Ca Cu Mo O\n2 1 2 1 8\ndirect\n0.500000 0.500000 0.786682 Ba\n0.500000 0.500000 0.213318 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.378836 Cu\n0.000000 0.000000 0.621164 Cu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.626278 O\n0.000000 0.500000 0.626278 O\n0.500000 0.000000 0.373722 O\n0.000000 0.500000 0.373722 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.153695 O\n0.000000 0.000000 0.846305 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ba-Ca-Cu-Mo-O",
"density": 5.75902545714989,
"density_atomic": 0.07293076346149077,
"volume": 191.96288830011142,
"volume_molar": 8.257339528853057,
"formula_full": "Ba2 Ca1 Cu2 Mo1 O8",
"formula_reduced": "Ba2CaCu2MoO8",
"formula_anonymous": "ABC2D2E8",
"energy": -96.33547257,
"energy_per_atom": -6.881105183571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.63747257,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2023601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.796000Z",
"spacegroup": 123
},
{
"id": "mp-1345171",
"created_at": "2022-09-04T14:39:39.041125Z",
"structure_string": "W10 O14\n1.0\n1.684848 -5.699347 0.000000\n1.684848 5.699347 0.000000\n0.000000 0.000000 18.689897\nW O\n10 14\ndirect\n0.728518 0.271482 0.578114 W\n0.000000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.271482 0.728518 0.421886 W\n0.271482 0.728518 0.078114 W\n0.728518 0.271482 0.921886 W\n0.538821 0.461179 0.158122 W\n0.461179 0.538821 0.841878 W\n0.461179 0.538821 0.658122 W\n0.538821 0.461179 0.341878 W\n0.341805 0.658195 0.961442 O\n0.658195 0.341805 0.038558 O\n0.658195 0.341805 0.461442 O\n0.341805 0.658195 0.538558 O\n0.853266 0.146734 0.837753 O\n0.146734 0.853266 0.162247 O\n0.146734 0.853266 0.337753 O\n0.853266 0.146734 0.662247 O\n0.103362 0.896638 0.899287 O\n0.896638 0.103362 0.100713 O\n0.896638 0.103362 0.399287 O\n0.103362 0.896638 0.600713 O\n0.550963 0.449037 0.750000 O\n0.449037 0.550963 0.250000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 9.541079153529589,
"density_atomic": 0.06686340850268745,
"volume": 358.94072015541,
"volume_molar": 9.006631421965201,
"formula_full": "W10 O14",
"formula_reduced": "W5O7",
"formula_anonymous": "A5B7",
"energy": -221.11247736,
"energy_per_atom": -9.21301989,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.11447736,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.4390861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.358000Z",
"spacegroup": 63
},
{
"id": "mp-1101361",
"created_at": "2022-09-04T14:39:39.064808Z",
"structure_string": "V4 Co1 Cu1 O12\n1.0\n6.586098 0.016119 -0.018305\n-0.685327 6.550364 0.018305\n-1.380255 1.240323 5.709044\nV Co Cu O\n4 1 1 12\ndirect\n0.205346 0.614563 0.757058 V\n0.390472 0.786811 0.267911 V\n0.614563 0.205346 0.742942 V\n0.786811 0.390472 0.232089 V\n0.918833 0.918833 0.250000 Co\n0.084413 0.084413 0.750000 Cu\n0.034508 0.815152 0.641942 O\n0.079131 0.376369 0.766381 O\n0.202243 0.964594 0.182810 O\n0.374242 0.638330 0.557167 O\n0.376369 0.079131 0.733619 O\n0.343550 0.632058 0.046937 O\n0.638330 0.374242 0.942833 O\n0.629498 0.909887 0.280116 O\n0.632058 0.343550 0.453063 O\n0.815152 0.034508 0.858058 O\n0.909887 0.629498 0.219884 O\n0.964594 0.202243 0.317190 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"V",
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O-V",
"density": 3.4973500727559492,
"density_atomic": 0.07315318896743526,
"volume": 246.05899283506076,
"volume_molar": 8.232232722869819,
"formula_full": "V4 Co1 Cu1 O12",
"formula_reduced": "V4CoCuO12",
"formula_anonymous": "ABC4D12",
"energy": -142.99787377,
"energy_per_atom": -7.9443263205555565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.31587377,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.048000Z",
"spacegroup": 5
},
{
"id": "mp-1186722",
"created_at": "2022-09-04T14:39:39.250733Z",
"structure_string": "Pr3 Nb1\n1.0\n-2.489756 2.489756 4.828511\n2.489756 -2.489756 4.828511\n2.489756 2.489756 -4.828511\nPr Nb\n3 1\ndirect\n0.750000 0.250000 0.500000 Pr\n0.250000 0.750000 0.500000 Pr\n0.500000 0.500000 0.000000 Pr\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Nb"
],
"chemical_system": "Nb-Pr",
"density": 7.151545706724855,
"density_atomic": 0.03340974797717889,
"volume": 119.72553647313562,
"volume_molar": 18.025100830193416,
"formula_full": "Pr3 Nb1",
"formula_reduced": "Pr3Nb",
"formula_anonymous": "AB3",
"energy": -22.85119027,
"energy_per_atom": -5.7127975675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.85119027,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0225769,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.919000Z",
"spacegroup": 139
},
{
"id": "mp-757452",
"created_at": "2022-09-04T14:39:39.259736Z",
"structure_string": "Mn3 Fe2 Co1 P6 O24\n1.0\n7.286332 -4.267521 0.000000\n7.286332 4.267521 0.000000\n4.786894 0.000000 6.956149\nMn Fe Co P O\n3 2 1 6 24\ndirect\n0.641336 0.641336 0.641336 Mn\n0.858773 0.858773 0.858773 Mn\n0.358027 0.358027 0.358027 Mn\n0.000959 0.000959 0.000959 Fe\n0.499263 0.499263 0.499263 Fe\n0.140357 0.140357 0.140357 Co\n0.960651 0.248383 0.539588 P\n0.539588 0.960651 0.248383 P\n0.248383 0.539588 0.960651 P\n0.752160 0.458328 0.039673 P\n0.458328 0.039673 0.752160 P\n0.039673 0.752160 0.458328 P\n0.509903 0.117730 0.310973 O\n0.310973 0.509903 0.117730 O\n0.117730 0.310973 0.509903 O\n0.941407 0.089122 0.743645 O\n0.991090 0.186147 0.383030 O\n0.758977 0.412871 0.557956 O\n0.743645 0.941407 0.089122 O\n0.557956 0.758977 0.412871 O\n0.813114 0.617314 0.007571 O\n0.412871 0.557956 0.758977 O\n0.915880 0.257963 0.055447 O\n0.617314 0.007571 0.813114 O\n0.383030 0.991090 0.186147 O\n0.089122 0.743645 0.941407 O\n0.586669 0.445602 0.237855 O\n0.186147 0.383030 0.991090 O\n0.445602 0.237855 0.586669 O\n0.257963 0.055447 0.915880 O\n0.237855 0.586669 0.445602 O\n0.007571 0.813114 0.617314 O\n0.055447 0.915880 0.257963 O\n0.883131 0.683483 0.495622 O\n0.683483 0.495622 0.883131 O\n0.495622 0.883131 0.683483 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Mn",
"Fe",
"Co",
"P",
"O"
],
"chemical_system": "Co-Fe-Mn-O-P",
"density": 3.4748940990613413,
"density_atomic": 0.08321833193234936,
"volume": 432.5969911204837,
"volume_molar": 7.236555480222286,
"formula_full": "Mn3 Fe2 Co1 P6 O24",
"formula_reduced": "Mn3Fe2Co(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -283.46450495,
"energy_per_atom": -7.874014026388888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.82250495,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.999797,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.241000Z",
"spacegroup": 146
},
{
"id": "mp-28334",
"created_at": "2022-09-04T14:39:38.959102Z",
"structure_string": "Tl16 Si4 Se16\n1.0\n3.746369 6.089884 0.000000\n-3.746369 6.089884 0.000000\n0.000000 4.287538 24.918345\nTl Si Se\n16 4 16\ndirect\n0.175116 0.824884 0.250000 Tl\n0.824884 0.175116 0.750000 Tl\n0.000000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.052394 0.337995 0.336421 Tl\n0.662005 0.947606 0.163579 Tl\n0.947606 0.662005 0.663579 Tl\n0.337995 0.052394 0.836421 Tl\n0.905833 0.324919 0.174964 Tl\n0.675081 0.094167 0.325036 Tl\n0.094167 0.675081 0.825036 Tl\n0.324919 0.905833 0.674964 Tl\n0.278804 0.350641 0.499898 Tl\n0.649359 0.721196 0.000102 Tl\n0.721196 0.649359 0.500102 Tl\n0.350641 0.278804 0.999898 Tl\n0.440437 0.686487 0.376479 Si\n0.686487 0.440437 0.876479 Si\n0.559563 0.313513 0.623521 Si\n0.313513 0.559563 0.123521 Si\n0.601205 0.694503 0.291336 Se\n0.704762 0.108867 0.881695 Se\n0.108867 0.704762 0.381695 Se\n0.295238 0.891133 0.118305 Se\n0.340284 0.625189 0.577690 Se\n0.891133 0.295238 0.618305 Se\n0.659716 0.374811 0.422310 Se\n0.625189 0.340284 0.077690 Se\n0.967780 0.412437 0.917300 Se\n0.587563 0.032220 0.582700 Se\n0.032220 0.587563 0.082700 Se\n0.412437 0.967780 0.417300 Se\n0.305497 0.398795 0.208664 Se\n0.398795 0.305497 0.708664 Se\n0.694503 0.601205 0.791336 Se\n0.374811 0.659716 0.922310 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tl",
"Si",
"Se"
],
"chemical_system": "Se-Si-Tl",
"density": 6.78491011693651,
"density_atomic": 0.03166166425378188,
"volume": 1137.0217216455994,
"volume_molar": 19.020291263687053,
"formula_full": "Tl16 Si4 Se16",
"formula_reduced": "Tl4SiSe4",
"formula_anonymous": "AB4C4",
"energy": -139.67649864999998,
"energy_per_atom": -3.8799027402777773,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.12449865,
"band_gap": 1.5277000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.81e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.298000Z",
"spacegroup": 15
},
{
"id": "mp-559899",
"created_at": "2022-09-04T14:39:38.967580Z",
"structure_string": "Ba2 V2 Cu8 P8 O34\n1.0\n9.734556 0.000000 0.000000\n0.000000 9.734556 0.000000\n0.000000 0.000000 7.346866\nBa V Cu P O\n2 2 8 8 34\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.956353 V\n0.500000 0.000000 0.043647 V\n0.237998 0.486284 0.403508 Cu\n0.486284 0.237998 0.596492 Cu\n0.013716 0.737998 0.403508 Cu\n0.762002 0.513716 0.403508 Cu\n0.737998 0.013716 0.596492 Cu\n0.986284 0.262002 0.403508 Cu\n0.513716 0.762002 0.596492 Cu\n0.262002 0.986284 0.596492 Cu\n0.218248 0.690613 0.733775 P\n0.809387 0.718248 0.733775 P\n0.718248 0.809387 0.266225 P\n0.190613 0.281752 0.733775 P\n0.781752 0.309387 0.733775 P\n0.281752 0.190613 0.266225 P\n0.690613 0.218248 0.266225 P\n0.309387 0.781752 0.266225 P\n0.000000 0.500000 0.179356 O\n0.873928 0.839269 0.263145 O\n0.895128 0.658569 0.896103 O\n0.320677 0.342997 0.242395 O\n0.842997 0.179323 0.242395 O\n0.841431 0.395128 0.896103 O\n0.679323 0.657003 0.242395 O\n0.500000 0.000000 0.820644 O\n0.657003 0.679323 0.757605 O\n0.820677 0.157003 0.757605 O\n0.658569 0.895128 0.103897 O\n0.104872 0.341431 0.896103 O\n0.342997 0.320677 0.757605 O\n0.179323 0.842997 0.757605 O\n0.626072 0.339269 0.736855 O\n0.341431 0.104872 0.103897 O\n0.126072 0.160731 0.263145 O\n0.839269 0.873928 0.736855 O\n0.863640 0.653095 0.551411 O\n0.346905 0.136360 0.448589 O\n0.339269 0.626072 0.263145 O\n0.846905 0.363640 0.551411 O\n0.653095 0.863640 0.448589 O\n0.158569 0.604872 0.896103 O\n0.160731 0.126072 0.736855 O\n0.373928 0.660731 0.736855 O\n0.157003 0.820677 0.242395 O\n0.363640 0.846905 0.448589 O\n0.395128 0.841431 0.103897 O\n0.660731 0.373928 0.263145 O\n0.636360 0.153095 0.448589 O\n0.136360 0.346905 0.551411 O\n0.604872 0.158569 0.103897 O\n0.153095 0.636360 0.551411 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Ba",
"V",
"Cu",
"P",
"O"
],
"chemical_system": "Ba-Cu-O-P-V",
"density": 3.9991113174672144,
"density_atomic": 0.07756384777927368,
"volume": 696.2006340076089,
"volume_molar": 7.764107805916785,
"formula_full": "Ba2 V2 Cu8 P8 O34",
"formula_reduced": "BaVCu4P4O17",
"formula_anonymous": "ABC4D4E17",
"energy": -389.46354271,
"energy_per_atom": -7.212287827962963,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -362.70554271,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0003225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.660000Z",
"spacegroup": 90
},
{
"id": "mp-1202839",
"created_at": "2022-09-04T14:39:38.982400Z",
"structure_string": "Li2 Cd8 Ge10 O30\n1.0\n7.195564 0.000000 0.000000\n-0.692483 8.004473 0.000000\n-0.639884 -3.570048 11.894911\nLi Cd Ge O\n2 8 10 30\ndirect\n0.341115 0.163383 0.612635 Li\n0.658885 0.836617 0.387365 Li\n0.057950 0.097402 0.150776 Cd\n0.942050 0.902598 0.849224 Cd\n0.133762 0.318457 0.443723 Cd\n0.866238 0.681543 0.556277 Cd\n0.183892 0.534619 0.733942 Cd\n0.816108 0.465381 0.266058 Cd\n0.274146 0.743414 0.018241 Cd\n0.725854 0.256586 0.981759 Cd\n0.428461 0.972857 0.825738 Ge\n0.571539 0.027143 0.174262 Ge\n0.355308 0.775036 0.554250 Ge\n0.644692 0.224964 0.445750 Ge\n0.302328 0.514298 0.229986 Ge\n0.697672 0.485702 0.770014 Ge\n0.220837 0.318366 0.958926 Ge\n0.779163 0.681634 0.041074 Ge\n0.109304 0.856817 0.353185 Ge\n0.890696 0.143183 0.646815 Ge\n0.422881 0.953738 0.678080 O\n0.577119 0.046262 0.321920 O\n0.034841 0.175215 0.976512 O\n0.965159 0.824785 0.023488 O\n0.125036 0.382890 0.269061 O\n0.874964 0.617110 0.730939 O\n0.271149 0.913666 0.475776 O\n0.728851 0.086334 0.524224 O\n0.180210 0.614975 0.563382 O\n0.819790 0.385025 0.436618 O\n0.252929 0.822278 0.847175 O\n0.747071 0.177722 0.152825 O\n0.357889 0.434995 0.087778 O\n0.642111 0.565005 0.912222 O\n0.606001 0.798360 0.121164 O\n0.393999 0.201640 0.878836 O\n0.062997 0.047274 0.322139 O\n0.937003 0.952726 0.677861 O\n0.225910 0.724436 0.238413 O\n0.774090 0.275564 0.761587 O\n0.435397 0.293573 0.504751 O\n0.564603 0.706427 0.495249 O\n0.093410 0.260082 0.620056 O\n0.906590 0.739918 0.379944 O\n0.352006 0.026415 0.108731 O\n0.647994 0.973585 0.891269 O\n0.161073 0.486481 0.904353 O\n0.838927 0.513519 0.095647 O\n0.519387 0.532479 0.308269 O\n0.480613 0.467521 0.691731 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Li",
"Cd",
"Ge",
"O"
],
"chemical_system": "Cd-Ge-Li-O",
"density": 5.137293662979395,
"density_atomic": 0.07298123748464123,
"volume": 685.1075937225976,
"volume_molar": 8.25162873028475,
"formula_full": "Li2 Cd8 Ge10 O30",
"formula_reduced": "LiCd4(GeO3)5",
"formula_anonymous": "AB4C5D15",
"energy": -299.43513701,
"energy_per_atom": -5.9887027402,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -278.82513701,
"band_gap": 0.5378000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004781,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.416000Z",
"spacegroup": 2
},
{
"id": "mp-1104503",
"created_at": "2022-09-04T14:39:39.003594Z",
"structure_string": "Y3 Ga9 Ru3\n1.0\n6.463522 0.000000 0.000000\n0.000000 6.463522 0.000000\n0.000000 0.000000 6.463522\nY Ga Ru\n3 9 3\ndirect\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.500000 Ga\n0.208789 0.208789 0.791211 Ga\n0.208789 0.791211 0.208789 Ga\n0.791211 0.208789 0.208789 Ga\n0.791211 0.791211 0.791211 Ga\n0.791211 0.791211 0.208789 Ga\n0.791211 0.208789 0.791211 Ga\n0.208789 0.791211 0.791211 Ga\n0.208789 0.208789 0.208789 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Y",
"Ga",
"Ru"
],
"chemical_system": "Ga-Ru-Y",
"density": 7.363650852037496,
"density_atomic": 0.0555499362622221,
"volume": 270.02731252818853,
"volume_molar": 10.840949900595087,
"formula_full": "Y3 Ga9 Ru3",
"formula_reduced": "YGa3Ru",
"formula_anonymous": "ABC3",
"energy": -83.30971248,
"energy_per_atom": -5.553980832,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.30971248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003544,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.834000Z",
"spacegroup": 221
},
{
"id": "mp-570751",
"created_at": "2022-09-04T14:39:39.026317Z",
"structure_string": "Nb6 Te2\n1.0\n5.302870 0.000000 0.000000\n0.000000 5.302870 0.000000\n0.000000 0.000000 5.302870\nNb Te\n6 2\ndirect\n0.500000 0.750000 0.000000 Nb\n0.000000 0.500000 0.750000 Nb\n0.500000 0.250000 0.000000 Nb\n0.000000 0.500000 0.250000 Nb\n0.250000 0.000000 0.500000 Nb\n0.750000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nb",
"Te"
],
"chemical_system": "Nb-Te",
"density": 9.049267622748465,
"density_atomic": 0.05364843351256796,
"volume": 149.11898589034996,
"volume_molar": 11.225194037751766,
"formula_full": "Nb6 Te2",
"formula_reduced": "Nb3Te",
"formula_anonymous": "AB3",
"energy": -69.00057251999999,
"energy_per_atom": -8.625071564999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.15657252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.727000Z",
"spacegroup": 223
}
]
}