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=11499",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=11497",
"results": [
{
"id": "mp-1105140",
"created_at": "2022-09-04T14:41:48.333636Z",
"structure_string": "Co4 P2 O10\n1.0\n5.358980 -0.000088 -0.000025\n-0.000088 5.359194 -0.000020\n-2.679473 -2.679574 6.253378\nCo P O\n4 2 10\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.624983 0.375016 0.249997 P\n0.375017 0.624984 0.750003 P\n0.797651 0.306775 0.113596 O\n0.306771 0.797654 0.613594 O\n0.306762 0.315984 0.613610 O\n0.315988 0.306765 0.113612 O\n0.202349 0.693225 0.886404 O\n0.693229 0.202346 0.386406 O\n0.693238 0.684016 0.386390 O\n0.684012 0.693235 0.886388 O\n0.125010 0.874987 0.250001 O\n0.874990 0.125013 0.749999 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 4.231661242099057,
"density_atomic": 0.08908923899686907,
"volume": 179.59520341802784,
"volume_molar": 6.75967246752623,
"formula_full": "Co4 P2 O10",
"formula_reduced": "Co2PO5",
"formula_anonymous": "AB2C5",
"energy": -119.06864079,
"energy_per_atom": -7.441790049375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.64664079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9018485,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.488000Z",
"spacegroup": 141
},
{
"id": "mp-686541",
"created_at": "2022-09-04T14:41:48.336016Z",
"structure_string": "Al4 Cd2 Si20 O48\n1.0\n12.467963 0.000000 0.000000\n-4.205784 11.746142 0.000000\n-4.186051 -5.749713 10.264930\nAl Cd Si O\n4 2 20 48\ndirect\n0.146624 0.593434 0.297564 Al\n0.149905 0.297245 0.591635 Al\n0.453087 0.149511 0.851838 Al\n0.583539 0.149065 0.292259 Al\n0.348111 0.339986 0.903286 Cd\n0.062289 0.421774 0.421606 Cd\n0.703253 0.858293 0.307354 Si\n0.300674 0.846160 0.700333 Si\n0.395097 0.694636 0.549987 Si\n0.548597 0.700810 0.399257 Si\n0.452275 0.844986 0.147929 Si\n0.152913 0.846242 0.455929 Si\n0.303074 0.590546 0.148374 Si\n0.312447 0.699892 0.853759 Si\n0.859675 0.711446 0.316624 Si\n0.400472 0.549516 0.696206 Si\n0.699011 0.555798 0.405849 Si\n0.844481 0.452489 0.157455 Si\n0.156812 0.450091 0.852365 Si\n0.581172 0.309636 0.149242 Si\n0.709501 0.309543 0.861004 Si\n0.854357 0.308755 0.701978 Si\n0.547652 0.391748 0.695909 Si\n0.695374 0.398278 0.550058 Si\n0.840715 0.160946 0.441889 Si\n0.299736 0.146200 0.594003 Si\n0.371788 0.990832 0.817536 O\n0.650794 0.828845 0.405268 O\n0.400196 0.820919 0.648620 O\n0.490635 0.986540 0.247282 O\n0.261848 0.996396 0.510552 O\n0.483302 0.742963 0.486645 O\n0.169925 0.812815 0.576174 O\n0.579201 0.821166 0.175128 O\n0.341876 0.729943 0.151614 O\n0.165294 0.747372 0.347985 O\n0.240047 0.582796 0.435563 O\n0.431653 0.595008 0.247633 O\n0.007637 0.833320 0.397971 O\n0.391240 0.820962 0.998566 O\n0.183566 0.543387 0.175294 O\n0.827368 0.657174 0.411682 O\n0.410282 0.647226 0.827288 O\n0.760176 0.762163 0.260604 O\n0.249236 0.737107 0.744591 O\n0.986675 0.473929 0.261393 O\n0.260364 0.479208 0.998094 O\n0.624676 0.629767 0.452573 O\n0.456452 0.628309 0.628621 O\n0.188784 0.578960 0.836368 O\n0.844765 0.591259 0.197466 O\n0.187943 0.349603 0.759396 O\n0.726871 0.348745 0.161639 O\n0.244012 0.439050 0.589779 O\n0.594057 0.439554 0.254432 O\n0.006890 0.381035 0.818904 O\n0.830430 0.399954 0.013575 O\n0.651455 0.402755 0.826145 O\n0.827068 0.410379 0.657006 O\n0.765487 0.260132 0.764659 O\n0.994064 0.266738 0.483218 O\n0.478674 0.275331 0.999847 O\n0.483050 0.480710 0.742685 O\n0.752269 0.503632 0.503747 O\n0.622464 0.447875 0.626194 O\n0.596109 0.185901 0.845220 O\n0.834689 0.189949 0.577958 O\n0.344279 0.183123 0.748371 O\n0.748683 0.186246 0.341010 O\n0.428422 0.241476 0.594956 O\n0.594001 0.253996 0.432031 O\n0.816612 0.011292 0.382773 O\n0.179932 0.171932 0.540531 O\n0.528916 0.185200 0.166720 O\n",
"nsites": 74,
"nelements": 4,
"elements": [
"Al",
"Cd",
"Si",
"O"
],
"chemical_system": "Al-Cd-O-Si",
"density": 1.836308111591182,
"density_atomic": 0.049224915133690365,
"volume": 1503.3037598749083,
"volume_molar": 12.233928171626943,
"formula_full": "Al4 Cd2 Si20 O48",
"formula_reduced": "Al2Cd(Si5O12)2",
"formula_anonymous": "AB2C10D24",
"energy": -595.3621116799999,
"energy_per_atom": -8.04543394162162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -562.38611168,
"band_gap": 2.3919,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.095000Z",
"spacegroup": 1
},
{
"id": "mp-1073176",
"created_at": "2022-09-04T14:41:48.337721Z",
"structure_string": "Mg8 Si12\n1.0\n1.944042 5.861783 0.000000\n-1.944042 5.861783 0.000000\n0.000000 2.137077 16.978679\nMg Si\n8 12\ndirect\n0.961296 0.961296 0.250996 Mg\n0.471468 0.471468 0.749467 Mg\n0.930319 0.930319 0.074379 Mg\n0.508794 0.508794 0.923871 Mg\n0.754558 0.754558 0.750300 Mg\n0.683091 0.683091 0.250240 Mg\n0.574090 0.574090 0.575823 Mg\n0.723075 0.723075 0.421682 Mg\n0.633262 0.633262 0.050335 Si\n0.800609 0.800609 0.953223 Si\n0.147604 0.147604 0.133319 Si\n0.288272 0.288272 0.870757 Si\n0.125154 0.125154 0.679313 Si\n0.311214 0.311214 0.320812 Si\n0.841380 0.841380 0.545653 Si\n0.016223 0.016223 0.452857 Si\n0.330276 0.330276 0.628524 Si\n0.496836 0.496836 0.369023 Si\n0.336708 0.336708 0.176527 Si\n0.102004 0.102004 0.822799 Si\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.280632505381491,
"density_atomic": 0.05168454792586948,
"volume": 386.96285065094804,
"volume_molar": 11.651723777554334,
"formula_full": "Mg8 Si12",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -75.57755188,
"energy_per_atom": -3.778877594,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.42955188,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016608,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.969000Z",
"spacegroup": 8
},
{
"id": "mp-1044092",
"created_at": "2022-09-04T14:41:48.341969Z",
"structure_string": "Pr2 Mg2 Ti4 O12\n1.0\n5.363312 0.000000 0.000000\n0.000000 5.530803 0.000000\n0.000000 0.000000 7.700707\nPr Mg Ti O\n2 2 4 12\ndirect\n0.010299 0.702485 0.000000 Pr\n0.510299 0.297515 0.500000 Pr\n0.482079 0.203802 0.000000 Mg\n0.982079 0.796198 0.500000 Mg\n0.000682 0.244484 0.750666 Ti\n0.000682 0.244484 0.249334 Ti\n0.500682 0.755516 0.250666 Ti\n0.500682 0.755516 0.749334 Ti\n0.079970 0.207740 0.500000 O\n0.216407 0.968924 0.801692 O\n0.216407 0.968924 0.198308 O\n0.310556 0.445004 0.191860 O\n0.310556 0.445004 0.808140 O\n0.372523 0.727276 0.500000 O\n0.579970 0.792260 0.000000 O\n0.716407 0.031076 0.698308 O\n0.716407 0.031076 0.301692 O\n0.810556 0.554996 0.691860 O\n0.810556 0.554996 0.308140 O\n0.872523 0.272724 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Pr",
"Mg",
"Ti",
"O"
],
"chemical_system": "Mg-O-Pr-Ti",
"density": 5.189507838597208,
"density_atomic": 0.08755443393548568,
"volume": 228.42932220585155,
"volume_molar": 6.8781676601751585,
"formula_full": "Pr2 Mg2 Ti4 O12",
"formula_reduced": "PrMgTi2O6",
"formula_anonymous": "ABC2D6",
"energy": -171.97043756,
"energy_per_atom": -8.598521878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.72643756,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8179828,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.534000Z",
"spacegroup": 31
},
{
"id": "mp-862257",
"created_at": "2022-09-04T14:41:48.355316Z",
"structure_string": "Sc2 Zn1 Au1\n1.0\n0.000000 3.384466 3.384466\n3.384466 0.000000 3.384466\n3.384466 3.384466 0.000000\nSc Zn Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Sc\n0.750000 0.750000 0.750000 Sc\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Zn",
"Au"
],
"chemical_system": "Au-Sc-Zn",
"density": 7.544765341287747,
"density_atomic": 0.05158928738855647,
"volume": 77.53547688831382,
"volume_molar": 11.673238892878816,
"formula_full": "Sc2 Zn1 Au1",
"formula_reduced": "Sc2ZnAu",
"formula_anonymous": "ABC2",
"energy": -19.59464079,
"energy_per_atom": -4.8986601975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.59464079,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081191,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.960000Z",
"spacegroup": 225
},
{
"id": "mp-6273",
"created_at": "2022-09-04T14:41:48.356565Z",
"structure_string": "Ba4 Na1 Sb3 O12\n1.0\n-4.206572 4.206572 4.206572\n4.206572 -4.206572 4.206572\n4.206572 4.206572 -4.206572\nBa Na Sb O\n4 1 3 12\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.500000 Sb\n0.727839 0.727839 0.000000 O\n0.272161 0.000000 0.272161 O\n0.727839 0.000000 0.727839 O\n0.000000 0.727839 0.727839 O\n0.000000 0.272161 0.272161 O\n0.272161 0.272161 0.000000 O\n0.250000 0.750000 0.500000 O\n0.750000 0.500000 0.250000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Sb",
"O"
],
"chemical_system": "Ba-Na-O-Sb",
"density": 6.299665564891319,
"density_atomic": 0.06717149652720246,
"volume": 297.74533893108355,
"volume_molar": 8.965321708384465,
"formula_full": "Ba4 Na1 Sb3 O12",
"formula_reduced": "Ba4Na(SbO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -131.57105567,
"energy_per_atom": -6.578552783499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.32705567,
"band_gap": 1.5158000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.386000Z",
"spacegroup": 229
},
{
"id": "mp-755337",
"created_at": "2022-09-04T14:41:48.363455Z",
"structure_string": "Li4 Nb1 Fe3 O8\n1.0\n5.163089 0.000000 0.000000\n0.018775 5.751348 0.000000\n0.022683 0.089609 6.602398\nLi Nb Fe O\n4 1 3 8\ndirect\n0.003926 0.084812 0.387705 Li\n0.506236 0.426264 0.866714 Li\n0.003217 0.562686 0.125475 Li\n0.505655 0.906121 0.622709 Li\n0.494540 0.915439 0.123454 Nb\n0.025366 0.098135 0.849681 Fe\n0.487985 0.425574 0.394762 Fe\n0.006635 0.584773 0.627553 Fe\n0.611798 0.075184 0.888433 O\n0.606729 0.074653 0.354823 O\n0.120202 0.425576 0.869381 O\n0.104396 0.416680 0.387724 O\n0.637192 0.585147 0.626086 O\n0.610656 0.603666 0.124789 O\n0.121373 0.898560 0.623822 O\n0.127697 0.916728 0.126887 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Nb",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 3.5250949561132763,
"density_atomic": 0.081609181901347,
"volume": 196.05637046259756,
"volume_molar": 7.379244123877931,
"formula_full": "Li4 Nb1 Fe3 O8",
"formula_reduced": "Li4NbFe3O8",
"formula_anonymous": "AB3C4D8",
"energy": -117.2730361,
"energy_per_atom": -7.32956475625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.0090361,
"band_gap": 2.5126,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0000638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.354000Z",
"spacegroup": 1
},
{
"id": "mp-1225802",
"created_at": "2022-09-04T14:41:48.368203Z",
"structure_string": "Er3 Mn3 Ga2 Ge1\n1.0\n3.495672 -6.054681 0.000000\n3.495672 6.054681 0.000000\n0.000000 0.000000 4.114144\nEr Mn Ga Ge\n3 3 2 1\ndirect\n0.246699 0.911294 0.500000 Er\n0.664595 0.753301 0.500000 Er\n0.088706 0.335405 0.500000 Er\n0.898156 0.560645 0.000000 Mn\n0.662489 0.101844 0.000000 Mn\n0.439355 0.337511 0.000000 Mn\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.000000 Ge\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Er",
"Mn",
"Ga",
"Ge"
],
"chemical_system": "Er-Ga-Ge-Mn",
"density": 8.378128095873098,
"density_atomic": 0.05167864080642664,
"volume": 174.1531870722262,
"volume_molar": 11.653055626128426,
"formula_full": "Er3 Mn3 Ga2 Ge1",
"formula_reduced": "Er3Mn3Ga2Ge",
"formula_anonymous": "AB2C3D3",
"energy": -55.20600116,
"energy_per_atom": -6.134000128888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.20600116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0670209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.249000Z",
"spacegroup": 174
},
{
"id": "mp-1208564",
"created_at": "2022-09-04T14:41:48.370377Z",
"structure_string": "Ta4 V4 P4\n1.0\n3.408326 0.000000 0.000000\n0.000000 6.399512 0.000000\n0.000000 0.000000 7.701891\nTa V P\n4 4 4\ndirect\n0.250000 0.536189 0.168523 Ta\n0.750000 0.463811 0.831477 Ta\n0.750000 0.963811 0.668523 Ta\n0.250000 0.036189 0.331477 Ta\n0.250000 0.639489 0.558487 V\n0.750000 0.360511 0.441513 V\n0.750000 0.860511 0.058487 V\n0.250000 0.139489 0.941513 V\n0.250000 0.763512 0.860072 P\n0.750000 0.236488 0.139928 P\n0.750000 0.736488 0.360072 P\n0.250000 0.263512 0.639928 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"V",
"P"
],
"chemical_system": "P-Ta-V",
"density": 10.393299207790132,
"density_atomic": 0.07143250704779874,
"volume": 167.9907439335743,
"volume_molar": 8.430532552875837,
"formula_full": "Ta4 V4 P4",
"formula_reduced": "TaVP",
"formula_anonymous": "ABC",
"energy": -115.30543239000002,
"energy_per_atom": -9.608786032500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.30543239000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.1e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.768000Z",
"spacegroup": 62
},
{
"id": "mp-1204256",
"created_at": "2022-09-04T14:41:48.373104Z",
"structure_string": "U4 Co2 As4 O40\n1.0\n7.156042 0.000000 0.000000\n1.202609 8.923206 0.000000\n1.284612 1.947193 12.598774\nU Co As O\n4 2 4 40\ndirect\n0.764643 0.291460 0.590624 U\n0.235357 0.708540 0.409376 U\n0.777837 0.781543 0.083064 U\n0.222163 0.218457 0.916936 U\n0.679456 0.637689 0.742508 Co\n0.320544 0.362311 0.257492 Co\n0.747666 0.130008 0.878246 As\n0.252334 0.869992 0.121754 As\n0.755661 0.622929 0.371719 As\n0.244339 0.377071 0.628281 As\n0.743572 0.942685 0.931045 O\n0.256428 0.057315 0.068955 O\n0.793348 0.123646 0.520385 O\n0.206652 0.876354 0.479615 O\n0.815575 0.621758 0.010062 O\n0.184425 0.378242 0.989938 O\n0.912863 0.203007 0.936234 O\n0.087137 0.796993 0.063766 O\n0.533345 0.233212 0.901566 O\n0.466655 0.766788 0.098434 O\n0.541439 0.730407 0.392661 O\n0.458561 0.269593 0.607339 O\n0.927115 0.698195 0.424083 O\n0.072885 0.301805 0.575917 O\n0.738936 0.442259 0.437549 O\n0.261064 0.557741 0.562451 O\n0.802805 0.142426 0.743559 O\n0.197195 0.857574 0.256441 O\n0.720600 0.465350 0.661656 O\n0.279400 0.534650 0.338344 O\n0.740800 0.941209 0.156638 O\n0.259200 0.058791 0.843362 O\n0.809276 0.620168 0.239136 O\n0.190724 0.379832 0.760864 O\n0.595152 0.801438 0.795603 O\n0.404848 0.198562 0.204397 O\n0.444553 0.714411 0.687980 O\n0.555447 0.285589 0.312020 O\n0.843187 0.732147 0.648213 O\n0.156813 0.267853 0.351787 O\n0.877732 0.582299 0.808808 O\n0.122268 0.417701 0.191192 O\n0.509580 0.543372 0.830072 O\n0.490420 0.456628 0.169928 O\n0.044278 0.858096 0.718668 O\n0.955722 0.141904 0.281332 O\n0.225730 0.743106 0.829995 O\n0.774270 0.256894 0.170005 O\n0.614350 0.012038 0.442383 O\n0.385650 0.987962 0.557617 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"U",
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O-U",
"density": 4.148071518707169,
"density_atomic": 0.06215097109699697,
"volume": 804.4926590441628,
"volume_molar": 9.689536066301272,
"formula_full": "U4 Co2 As4 O40",
"formula_reduced": "U2Co(AsO10)2",
"formula_anonymous": "AB2C2D20",
"energy": -340.55877364,
"energy_per_atom": -6.8111754728000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -309.80277364,
"band_gap": 0.0119,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 27.9921982,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.934000Z",
"spacegroup": 2
},
{
"id": "mp-1096256",
"created_at": "2022-09-04T14:41:48.378271Z",
"structure_string": "Sc2 Pd1 Rh1\n1.0\n-4.716303 5.599654 7.919165\n4.716303 -5.599654 7.919165\n4.716303 5.599654 -7.919165\nSc Pd Rh\n2 1 1\ndirect\n0.000000 0.240741 0.240741 Sc\n0.000000 0.759259 0.759259 Sc\n0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Pd",
"Rh"
],
"chemical_system": "Pd-Rh-Sc",
"density": 0.593967366719689,
"density_atomic": 0.0047814290579187586,
"volume": 836.5699776252885,
"volume_molar": 125.94855402123845,
"formula_full": "Sc2 Pd1 Rh1",
"formula_reduced": "Sc2PdRh",
"formula_anonymous": "ABC2",
"energy": -18.66177724,
"energy_per_atom": -4.66544431,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.66177724,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998656,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.703000Z",
"spacegroup": 71
},
{
"id": "mp-1077112",
"created_at": "2022-09-04T14:41:48.383327Z",
"structure_string": "Eu2 Zn2 Ge2\n1.0\n-2.189755 3.759532 4.351295\n2.189755 -3.759532 4.351295\n2.189755 3.759532 -4.351295\nEu Zn Ge\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Eu\n0.000000 0.000000 0.000000 Eu\n0.417472 0.750000 0.667472 Zn\n0.582528 0.250000 0.332528 Zn\n0.083490 0.750000 0.333490 Ge\n0.916510 0.250000 0.666510 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Eu",
"Zn",
"Ge"
],
"chemical_system": "Eu-Ge-Zn",
"density": 6.721848617741559,
"density_atomic": 0.041873900712147485,
"volume": 143.28734361877633,
"volume_molar": 14.381609206645981,
"formula_full": "Eu2 Zn2 Ge2",
"formula_reduced": "EuZnGe",
"formula_anonymous": "ABC",
"energy": -35.10827597,
"energy_per_atom": -5.8513793283333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.10827597,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.1323183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.494000Z",
"spacegroup": 74
}
]
}