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_per_atom&page=10255",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10253",
"results": [
{
"id": "mp-1094115",
"created_at": "2022-09-04T14:46:01.441834Z",
"structure_string": "Na2 O2\n1.0\n1.668739 -4.316497 0.000000\n1.668739 4.316497 0.000000\n0.000000 0.000000 3.517586\nNa O\n2 2\ndirect\n0.123099 0.876901 0.750000 Na\n0.876901 0.123099 0.250000 Na\n0.406140 0.593860 0.750000 O\n0.593860 0.406140 0.250000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"O"
],
"chemical_system": "Na-O",
"density": 2.5552211646064142,
"density_atomic": 0.07893423643371705,
"volume": 50.67509588642052,
"volume_molar": 7.629314011363035,
"formula_full": "Na2 O2",
"formula_reduced": "NaO",
"formula_anonymous": "AB",
"energy": -16.92343462,
"energy_per_atom": -4.230858655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.54943462,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0025452,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.204000Z",
"spacegroup": 63
},
{
"id": "mp-894",
"created_at": "2022-09-04T14:41:34.823589Z",
"structure_string": "Zn1 Pt1\n1.0\n2.876179 0.000000 0.000000\n0.000000 2.876179 0.000000\n0.000000 0.000000 3.546837\nZn Pt\n1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"Pt"
],
"chemical_system": "Pt-Zn",
"density": 14.742532793434467,
"density_atomic": 0.06816429437386756,
"volume": 29.340874403106103,
"volume_molar": 8.834743783849298,
"formula_full": "Zn1 Pt1",
"formula_reduced": "ZnPt",
"formula_anonymous": "AB",
"energy": -8.46144421,
"energy_per_atom": -4.230722105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.46144421,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002679,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.341000Z",
"spacegroup": 123
},
{
"id": "mp-22983",
"created_at": "2022-09-04T14:41:30.959326Z",
"structure_string": "Li4 Al4 Cl16\n1.0\n6.874934 0.000000 0.000000\n0.000000 7.055927 0.000000\n0.000000 0.601365 13.154656\nLi Al Cl\n4 4 16\ndirect\n0.020086 0.154346 0.631991 Li\n0.520086 0.845654 0.868009 Li\n0.979914 0.845654 0.368009 Li\n0.479914 0.154346 0.131991 Li\n0.674764 0.706818 0.101292 Al\n0.174764 0.293182 0.398708 Al\n0.325236 0.293182 0.898708 Al\n0.825236 0.706818 0.601292 Al\n0.806909 0.696001 0.953478 Cl\n0.306909 0.303999 0.546522 Cl\n0.193091 0.303999 0.046522 Cl\n0.693091 0.696001 0.453478 Cl\n0.382238 0.814530 0.072982 Cl\n0.882238 0.185470 0.427018 Cl\n0.617762 0.185470 0.927018 Cl\n0.117762 0.814530 0.572982 Cl\n0.811801 0.923360 0.189557 Cl\n0.311801 0.076640 0.310443 Cl\n0.188199 0.076640 0.810443 Cl\n0.688199 0.923360 0.689557 Cl\n0.677151 0.436747 0.183238 Cl\n0.177151 0.563253 0.316762 Cl\n0.322849 0.563253 0.816762 Cl\n0.822849 0.436747 0.683238 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Al",
"Cl"
],
"chemical_system": "Al-Cl-Li",
"density": 1.8292122723825464,
"density_atomic": 0.03761050232619658,
"volume": 638.1196345597184,
"volume_molar": 16.01185942099327,
"formula_full": "Li4 Al4 Cl16",
"formula_reduced": "LiAlCl4",
"formula_anonymous": "ABC4",
"energy": -101.53702256,
"energy_per_atom": -4.230709273333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.71302256,
"band_gap": 5.5616,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.700000Z",
"spacegroup": 14
},
{
"id": "mp-9672",
"created_at": "2022-09-04T14:39:43.387477Z",
"structure_string": "K4 Ni2 P4\n1.0\n3.210581 -6.913585 0.000000\n3.210581 6.913585 0.000000\n0.000000 0.000000 5.611457\nK Ni P\n4 2 4\ndirect\n0.583358 0.416642 0.750000 K\n0.213133 0.786867 0.750000 K\n0.416642 0.583358 0.250000 K\n0.786867 0.213133 0.250000 K\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.069728 0.270434 0.750000 P\n0.270434 0.069728 0.250000 P\n0.930272 0.729566 0.250000 P\n0.729566 0.930272 0.750000 P\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ni",
"P"
],
"chemical_system": "K-Ni-P",
"density": 2.6508482488352705,
"density_atomic": 0.04014277831533008,
"volume": 249.11080945737908,
"volume_molar": 15.001803593898762,
"formula_full": "K4 Ni2 P4",
"formula_reduced": "K2NiP2",
"formula_anonymous": "AB2C2",
"energy": -42.30668087,
"energy_per_atom": -4.230668087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.30668087,
"band_gap": 0.6445000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.403000Z",
"spacegroup": 63
},
{
"id": "mp-1147755",
"created_at": "2022-09-04T14:41:16.481028Z",
"structure_string": "Ga2 Cu1 S2 O2\n1.0\n-2.029468 2.029468 7.519393\n2.029468 -2.029468 7.519393\n2.029468 2.029468 -7.519393\nGa Cu S O\n2 1 2 2\ndirect\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.000000 0.000000 0.000000 Cu\n0.836628 0.836628 0.000000 S\n0.163372 0.163372 0.000000 S\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Ga",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Ga-O-S",
"density": 4.009484327926438,
"density_atomic": 0.05650551651470532,
"volume": 123.8817098181605,
"volume_molar": 10.657615630206237,
"formula_full": "Ga2 Cu1 S2 O2",
"formula_reduced": "Ga2Cu(SO)2",
"formula_anonymous": "AB2C2D2",
"energy": -29.614094179999995,
"energy_per_atom": -4.230584882857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.23409418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.378726,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.717000Z",
"spacegroup": 139
},
{
"id": "mp-1220890",
"created_at": "2022-09-04T14:46:16.012077Z",
"structure_string": "Nd14 Au51\n1.0\n6.499202 -11.256947 0.000000\n6.499202 11.256947 0.000000\n0.000000 0.000000 9.446441\nNd Au\n14 51\ndirect\n0.192517 0.990462 0.500000 Nd\n0.009538 0.202055 0.500000 Nd\n0.797945 0.807483 0.500000 Nd\n0.475788 0.342399 0.500000 Nd\n0.657601 0.133389 0.500000 Nd\n0.866611 0.524212 0.500000 Nd\n0.949587 0.397327 0.000000 Nd\n0.602673 0.552261 0.000000 Nd\n0.447739 0.050413 0.000000 Nd\n0.734151 0.949353 0.000000 Nd\n0.050647 0.784799 0.000000 Nd\n0.215201 0.265849 0.000000 Nd\n0.333333 0.666667 0.297041 Nd\n0.333333 0.666667 0.702959 Nd\n0.000000 0.000000 0.000000 Au\n0.666667 0.333333 0.000000 Au\n0.892441 0.330988 0.334915 Au\n0.669012 0.561453 0.334915 Au\n0.438547 0.107559 0.334915 Au\n0.776293 0.004652 0.336388 Au\n0.995348 0.771640 0.336388 Au\n0.228360 0.223707 0.336388 Au\n0.776293 0.004652 0.663612 Au\n0.995348 0.771640 0.663612 Au\n0.228360 0.223707 0.663612 Au\n0.892441 0.330988 0.665085 Au\n0.669012 0.561453 0.665085 Au\n0.438547 0.107559 0.665085 Au\n0.218210 0.044633 0.152682 Au\n0.955367 0.173577 0.152682 Au\n0.826423 0.781790 0.152682 Au\n0.449775 0.285720 0.150453 Au\n0.714280 0.164055 0.150453 Au\n0.835945 0.550225 0.150453 Au\n0.449775 0.285720 0.849547 Au\n0.714280 0.164055 0.849547 Au\n0.835945 0.550225 0.849547 Au\n0.218210 0.044633 0.847318 Au\n0.955367 0.173577 0.847318 Au\n0.826423 0.781790 0.847318 Au\n0.062199 0.591170 0.236618 Au\n0.408830 0.471029 0.236618 Au\n0.528971 0.937801 0.236618 Au\n0.599101 0.739011 0.229297 Au\n0.260989 0.860091 0.229297 Au\n0.139909 0.400899 0.229297 Au\n0.599101 0.739011 0.770703 Au\n0.260989 0.860091 0.770703 Au\n0.139909 0.400899 0.770703 Au\n0.062199 0.591170 0.763382 Au\n0.408830 0.471029 0.763382 Au\n0.528971 0.937801 0.763382 Au\n0.000000 0.000000 0.305994 Au\n0.666667 0.333333 0.305876 Au\n0.666667 0.333333 0.694124 Au\n0.000000 0.000000 0.694006 Au\n0.095385 0.489023 0.500000 Au\n0.510977 0.606361 0.500000 Au\n0.393639 0.904615 0.500000 Au\n0.573015 0.845042 0.500000 Au\n0.154958 0.727973 0.500000 Au\n0.272027 0.426985 0.500000 Au\n0.220749 0.692320 0.000000 Au\n0.307680 0.528429 0.000000 Au\n0.471571 0.779251 0.000000 Au\n",
"nsites": 65,
"nelements": 2,
"elements": [
"Nd",
"Au"
],
"chemical_system": "Au-Nd",
"density": 14.49392950332645,
"density_atomic": 0.04702561542040881,
"volume": 1382.225398198413,
"volume_molar": 12.806086015381373,
"formula_full": "Nd14 Au51",
"formula_reduced": "Nd14Au51",
"formula_anonymous": "A14B51",
"energy": -274.96966399,
"energy_per_atom": -4.230302522923077,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.96966399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1159207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.988000Z",
"spacegroup": 174
},
{
"id": "mp-675142",
"created_at": "2022-09-04T14:40:24.755638Z",
"structure_string": "Yb12 Dy4 Sb12\n1.0\n9.385028 0.000000 0.000000\n0.000000 9.385028 0.000000\n0.000000 0.000000 9.385028\nYb Dy Sb\n12 4 12\ndirect\n0.823230 0.323230 0.176770 Yb\n0.930148 0.930148 0.930148 Yb\n0.825458 0.674542 0.325458 Yb\n0.176770 0.823230 0.323230 Yb\n0.174542 0.174542 0.174542 Yb\n0.325458 0.825458 0.674542 Yb\n0.069852 0.430148 0.569852 Yb\n0.323230 0.176770 0.823230 Yb\n0.674542 0.325458 0.825458 Yb\n0.676770 0.676770 0.676770 Yb\n0.569852 0.069852 0.430148 Yb\n0.430148 0.569852 0.069852 Yb\n0.070571 0.570571 0.929429 Dy\n0.929429 0.070571 0.570571 Dy\n0.429429 0.429429 0.429429 Dy\n0.570571 0.929429 0.070571 Dy\n0.746342 0.370426 0.500357 Sb\n0.870426 0.999643 0.253658 Sb\n0.000357 0.753658 0.629574 Sb\n0.246342 0.129574 0.499643 Sb\n0.129574 0.499643 0.246342 Sb\n0.999643 0.253658 0.870426 Sb\n0.253658 0.870426 0.999643 Sb\n0.370426 0.500357 0.746342 Sb\n0.499643 0.246342 0.129574 Sb\n0.753658 0.629574 0.000357 Sb\n0.629574 0.000357 0.753658 Sb\n0.500357 0.746342 0.370426 Sb\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Dy",
"Sb"
],
"chemical_system": "Dy-Sb-Yb",
"density": 8.412160894646577,
"density_atomic": 0.03387281680636658,
"volume": 826.6215402179736,
"volume_molar": 17.778683108716564,
"formula_full": "Yb12 Dy4 Sb12",
"formula_reduced": "Yb3DySb3",
"formula_anonymous": "AB3C3",
"energy": -118.44686888,
"energy_per_atom": -4.230245317142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -116.14286888,
"band_gap": 0.6393000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.495000Z",
"spacegroup": 198
},
{
"id": "mp-867422",
"created_at": "2022-09-04T14:40:04.248558Z",
"structure_string": "Ac1 Pb1 Au2\n1.0\n0.000000 3.763885 3.763885\n3.763885 0.000000 3.763885\n3.763885 3.763885 0.000000\nAc Pb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Pb",
"Au"
],
"chemical_system": "Ac-Au-Pb",
"density": 12.894669877543818,
"density_atomic": 0.0375077453225335,
"volume": 106.64464007643036,
"volume_molar": 16.05572584599502,
"formula_full": "Ac1 Pb1 Au2",
"formula_reduced": "AcPbAu2",
"formula_anonymous": "ABC2",
"energy": -16.9208404,
"energy_per_atom": -4.2302101,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.9208404,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007702,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.193000Z",
"spacegroup": 225
},
{
"id": "mp-1203746",
"created_at": "2022-09-04T14:42:05.965438Z",
"structure_string": "As4 S4 Xe4 N4 F40\n1.0\n2.637425 13.398335 0.000000\n-2.637425 13.398335 0.000000\n0.000000 7.626029 13.341812\nAs S Xe N F\n4 4 4 4 40\ndirect\n0.180156 0.016641 0.025309 As\n0.983359 0.819844 0.474691 As\n0.819844 0.983359 0.974691 As\n0.016641 0.180156 0.525309 As\n0.387218 0.221027 0.320575 S\n0.778973 0.612782 0.179425 S\n0.612782 0.778973 0.679425 S\n0.221027 0.387218 0.820575 S\n0.469726 0.413664 0.182283 Xe\n0.586336 0.530274 0.317717 Xe\n0.530274 0.586336 0.817717 Xe\n0.413664 0.469726 0.682283 Xe\n0.588215 0.137071 0.284624 N\n0.862929 0.411785 0.215376 N\n0.411785 0.862929 0.715376 N\n0.137071 0.588215 0.784624 N\n0.196117 0.342650 0.419060 F\n0.657350 0.803883 0.080940 F\n0.803883 0.657350 0.580940 F\n0.342650 0.196117 0.919060 F\n0.144570 0.509090 0.260662 F\n0.490910 0.855430 0.239338 F\n0.855430 0.490910 0.739338 F\n0.509090 0.144570 0.760662 F\n0.612010 0.937165 0.384285 F\n0.062835 0.387990 0.115715 F\n0.387990 0.062835 0.615715 F\n0.937165 0.612010 0.884285 F\n0.365515 0.159257 0.276866 F\n0.840743 0.634485 0.223134 F\n0.634485 0.840743 0.723134 F\n0.159257 0.365515 0.776866 F\n0.986180 0.311558 0.994573 F\n0.688442 0.013820 0.505427 F\n0.013820 0.688442 0.005427 F\n0.311558 0.986180 0.494573 F\n0.383666 0.708588 0.056341 F\n0.291412 0.616334 0.443659 F\n0.616334 0.291412 0.943659 F\n0.708588 0.383666 0.556341 F\n0.396987 0.893774 0.915347 F\n0.106226 0.603013 0.584653 F\n0.603013 0.106226 0.084653 F\n0.893774 0.396987 0.415347 F\n0.973704 0.123633 0.137143 F\n0.876367 0.026296 0.362857 F\n0.026296 0.876367 0.862857 F\n0.123633 0.973704 0.637143 F\n0.371506 0.880745 0.092802 F\n0.119255 0.628494 0.407198 F\n0.628494 0.119255 0.907198 F\n0.880745 0.371506 0.592802 F\n0.998085 0.137939 0.959469 F\n0.862061 0.001915 0.540531 F\n0.001915 0.862061 0.040531 F\n0.137939 0.998085 0.459469 F\n",
"nsites": 56,
"nelements": 5,
"elements": [
"As",
"S",
"Xe",
"N",
"F"
],
"chemical_system": "As-F-N-S-Xe",
"density": 3.1154524917101285,
"density_atomic": 0.05938985484496997,
"volume": 942.921988042928,
"volume_molar": 10.140015960167052,
"formula_full": "As4 S4 Xe4 N4 F40",
"formula_reduced": "AsSXeNF10",
"formula_anonymous": "ABCDE10",
"energy": -236.88665788999995,
"energy_per_atom": -4.230118890892856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.40665789,
"band_gap": 2.5478,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010708,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:34.493000Z",
"spacegroup": 15
},
{
"id": "mp-1111724",
"created_at": "2022-09-04T14:47:10.359920Z",
"structure_string": "Rb2 Tb1 Ag1 Cl6\n1.0\n0.000000 5.399203 5.399203\n5.399203 0.000000 5.399203\n5.399203 5.399203 0.000000\nRb Tb Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Ag\n0.754825 0.245175 0.245175 Cl\n0.245175 0.245175 0.754825 Cl\n0.245175 0.754825 0.754825 Cl\n0.245175 0.754825 0.245175 Cl\n0.754825 0.245175 0.754825 Cl\n0.754825 0.754825 0.245175 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tb",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Rb-Tb",
"density": 3.4311693011532585,
"density_atomic": 0.03176735344305289,
"volume": 314.7885774597591,
"volume_molar": 18.957011231028325,
"formula_full": "Rb2 Tb1 Ag1 Cl6",
"formula_reduced": "Rb2TbAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.30105436,
"energy_per_atom": -4.2301054360000006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.61705436,
"band_gap": 3.7266,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.734000Z",
"spacegroup": 225
},
{
"id": "mp-571085",
"created_at": "2022-09-04T14:46:38.111542Z",
"structure_string": "Ga8 Bi4 Se16\n1.0\n7.947814 0.000000 0.000000\n0.000000 7.947814 0.000000\n0.000000 0.000000 12.801065\nGa Bi Se\n8 4 16\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.750000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.500000 0.250000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.250000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.000000 0.123729 Bi\n0.000000 0.000000 0.876271 Bi\n0.500000 0.500000 0.376271 Bi\n0.500000 0.500000 0.623729 Bi\n0.662656 0.830878 0.875461 Se\n0.162656 0.330878 0.624539 Se\n0.837344 0.669122 0.624539 Se\n0.162656 0.669122 0.375461 Se\n0.669122 0.162656 0.624539 Se\n0.830878 0.337344 0.875461 Se\n0.669122 0.837344 0.375461 Se\n0.662656 0.169122 0.124539 Se\n0.169122 0.337344 0.124539 Se\n0.330878 0.837344 0.624539 Se\n0.169122 0.662656 0.875461 Se\n0.837344 0.330878 0.375461 Se\n0.830878 0.662656 0.124539 Se\n0.337344 0.169122 0.875461 Se\n0.330878 0.162656 0.375461 Se\n0.337344 0.830878 0.124539 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"Se"
],
"chemical_system": "Bi-Ga-Se",
"density": 5.456446252418847,
"density_atomic": 0.03462713329314478,
"volume": 808.614440096987,
"volume_molar": 17.391392781545157,
"formula_full": "Ga8 Bi4 Se16",
"formula_reduced": "Ga2BiSe4",
"formula_anonymous": "AB2C4",
"energy": -118.43695367999996,
"energy_per_atom": -4.229891202857141,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.88495368,
"band_gap": 1.8585,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005807,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.775000Z",
"spacegroup": 126
},
{
"id": "mp-2516",
"created_at": "2022-09-04T14:45:29.614874Z",
"structure_string": "Y1 Zn1\n1.0\n3.585441 0.000000 0.000000\n0.000000 3.585441 0.000000\n0.000000 0.000000 3.585441\nY Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 5.559414779735473,
"density_atomic": 0.04339125930960143,
"volume": 46.09223221040392,
"volume_molar": 13.878695515682917,
"formula_full": "Y1 Zn1",
"formula_reduced": "YZn",
"formula_anonymous": "AB",
"energy": -8.45970273,
"energy_per_atom": -4.229851365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.45970273,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0545209,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.984000Z",
"spacegroup": 221
}
]
}