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=-volume_molar&page=1737",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=1735",
"results": [
{
"id": "mp-22864",
"created_at": "2022-09-04T14:44:19.390738Z",
"structure_string": "Bi8 Pt4\n1.0\n6.833186 0.000000 0.000000\n0.000000 6.833186 0.000000\n0.000000 0.000000 6.833186\nBi Pt\n8 4\ndirect\n0.370096 0.370096 0.370096 Bi\n0.129904 0.629904 0.870096 Bi\n0.870096 0.129904 0.629904 Bi\n0.629904 0.870096 0.129904 Bi\n0.629904 0.629904 0.629904 Bi\n0.870096 0.370096 0.129904 Bi\n0.129904 0.870096 0.370096 Bi\n0.370096 0.129904 0.870096 Bi\n0.000000 0.000000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Pt"
],
"chemical_system": "Bi-Pt",
"density": 12.762377146922123,
"density_atomic": 0.0376107088605265,
"volume": 319.05806520425193,
"volume_molar": 16.011771493943858,
"formula_full": "Bi8 Pt4",
"formula_reduced": "Bi2Pt",
"formula_anonymous": "AB2",
"energy": -58.26038645999999,
"energy_per_atom": -4.855032205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.26038645999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002294,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.718000Z",
"spacegroup": 205
},
{
"id": "mp-11422",
"created_at": "2022-09-04T14:43:56.670468Z",
"structure_string": "Gd1 Hg1\n1.0\n3.760424 0.000000 0.000000\n0.000000 3.760424 0.000000\n0.000000 0.000000 3.760424\nGd Hg\n1 1\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Gd",
"Hg"
],
"chemical_system": "Gd-Hg",
"density": 11.174485472244875,
"density_atomic": 0.03761140423523876,
"volume": 53.1753610551495,
"volume_molar": 16.01147546189662,
"formula_full": "Gd1 Hg1",
"formula_reduced": "GdHg",
"formula_anonymous": "AB",
"energy": -15.41520923,
"energy_per_atom": -7.707604615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.41520923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.4352251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.311000Z",
"spacegroup": 221
},
{
"id": "mp-1201300",
"created_at": "2022-09-04T14:44:26.136788Z",
"structure_string": "Re4 Rh4 Br24 N20 Cl4\n1.0\n8.293983 0.000000 0.000000\n0.203985 11.544247 0.000000\n0.160042 3.896133 15.550239\nRe Rh Br N Cl\n4 4 24 20 4\ndirect\n0.246255 0.297453 0.636948 Re\n0.753745 0.702547 0.363052 Re\n0.752059 0.716651 0.860048 Re\n0.247941 0.283349 0.139952 Re\n0.266621 0.780211 0.142354 Rh\n0.733379 0.219789 0.857646 Rh\n0.242459 0.778822 0.618028 Rh\n0.757541 0.221178 0.381972 Rh\n0.255907 0.339308 0.480553 Br\n0.744093 0.660692 0.519447 Br\n0.030255 0.157396 0.640430 Br\n0.969745 0.842604 0.359570 Br\n0.450488 0.141571 0.647270 Br\n0.549512 0.858429 0.352730 Br\n0.458176 0.447389 0.633848 Br\n0.541824 0.552611 0.366152 Br\n0.044391 0.462164 0.627018 Br\n0.955609 0.537836 0.372982 Br\n0.237335 0.262527 0.795153 Br\n0.762665 0.737473 0.204847 Br\n0.739202 0.591474 0.753535 Br\n0.260798 0.408526 0.246465 Br\n0.766180 0.895894 0.741168 Br\n0.233820 0.104106 0.258832 Br\n0.459016 0.731666 0.857824 Br\n0.540984 0.268334 0.142176 Br\n0.738526 0.530669 0.975334 Br\n0.261474 0.469331 0.024666 Br\n0.045586 0.695981 0.856662 Br\n0.954414 0.304019 0.143338 Br\n0.766348 0.835774 0.964534 Br\n0.233652 0.164226 0.035466 Br\n0.272096 0.703225 0.247025 N\n0.727904 0.296775 0.752975 N\n0.107114 0.912196 0.135015 N\n0.892886 0.087804 0.864985 N\n0.095340 0.703863 0.087306 N\n0.904660 0.296137 0.912694 N\n0.421780 0.698871 0.078092 N\n0.578220 0.301129 0.921908 N\n0.433218 0.905197 0.126683 N\n0.566782 0.094803 0.873317 N\n0.235259 0.649491 0.695672 N\n0.764741 0.350509 0.304328 N\n0.285336 0.737727 0.506769 N\n0.714664 0.262273 0.493231 N\n0.016846 0.814452 0.575436 N\n0.983154 0.185548 0.424564 N\n0.204785 0.910342 0.678574 N\n0.795215 0.089658 0.321426 N\n0.473339 0.827236 0.612391 N\n0.526661 0.172764 0.387609 N\n0.250689 0.897769 0.976222 Cl\n0.749311 0.102231 0.023778 Cl\n0.256143 0.982206 0.499309 Cl\n0.743857 0.017794 0.500691 Cl\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Re",
"Rh",
"Br",
"N",
"Cl"
],
"chemical_system": "Br-Cl-N-Re-Rh",
"density": 3.8991157736235182,
"density_atomic": 0.037611634534762045,
"volume": 1488.9009928096252,
"volume_molar": 16.011377422148772,
"formula_full": "Re4 Rh4 Br24 N20 Cl4",
"formula_reduced": "ReRhBr6N5Cl",
"formula_anonymous": "ABCD5E6",
"energy": -230.94676786,
"energy_per_atom": -4.124049426071428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.27076786,
"band_gap": 0.0176999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.7657496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.327000Z",
"spacegroup": 2
},
{
"id": "mp-581376",
"created_at": "2022-09-04T14:47:41.438278Z",
"structure_string": "Tl12 Ag12 Sb8 S24\n1.0\n12.141930 0.000000 0.000000\n0.000000 11.537708 0.000000\n0.000000 6.082898 10.627912\nTl Ag Sb S\n12 12 8 24\ndirect\n0.115220 0.215036 0.888114 Tl\n0.246486 0.838117 0.729103 Tl\n0.510343 0.805752 0.965379 Tl\n0.010343 0.194248 0.534621 Tl\n0.884780 0.784964 0.111886 Tl\n0.384780 0.215036 0.388114 Tl\n0.989657 0.805752 0.465379 Tl\n0.615220 0.784964 0.611886 Tl\n0.489657 0.194248 0.034621 Tl\n0.746486 0.161883 0.770897 Tl\n0.253514 0.838117 0.229103 Tl\n0.753514 0.161883 0.270897 Tl\n0.653427 0.110092 0.570968 Ag\n0.634845 0.526782 0.925404 Ag\n0.134845 0.473218 0.574596 Ag\n0.865155 0.526782 0.425404 Ag\n0.874880 0.526836 0.050786 Ag\n0.625120 0.526836 0.550786 Ag\n0.125120 0.473164 0.949214 Ag\n0.374880 0.473164 0.449214 Ag\n0.346573 0.889908 0.429032 Ag\n0.365155 0.473218 0.074596 Ag\n0.846573 0.110092 0.070968 Ag\n0.153427 0.889908 0.929032 Ag\n0.409661 0.169244 0.740530 Sb\n0.090339 0.169244 0.240530 Sb\n0.853353 0.497961 0.755291 Sb\n0.146647 0.502039 0.244709 Sb\n0.590339 0.830756 0.259470 Sb\n0.909661 0.830756 0.759470 Sb\n0.646647 0.497961 0.255291 Sb\n0.353353 0.502039 0.744709 Sb\n0.248838 0.270830 0.099032 S\n0.163126 0.583949 0.711949 S\n0.531769 0.994484 0.321857 S\n0.468231 0.005516 0.678143 S\n0.031769 0.005516 0.178143 S\n0.417896 0.645126 0.525962 S\n0.574200 0.371122 0.157102 S\n0.917896 0.354874 0.974038 S\n0.836874 0.416051 0.288051 S\n0.321217 0.004133 0.943341 S\n0.082104 0.645126 0.025962 S\n0.751162 0.729170 0.900968 S\n0.582104 0.354874 0.474038 S\n0.968231 0.994484 0.821857 S\n0.251162 0.270830 0.599032 S\n0.748838 0.729170 0.400968 S\n0.074200 0.628878 0.342898 S\n0.425800 0.628878 0.842898 S\n0.663126 0.416051 0.788051 S\n0.678783 0.995867 0.056659 S\n0.336874 0.583949 0.211949 S\n0.821217 0.995867 0.556659 S\n0.925800 0.371122 0.657102 S\n0.178783 0.004133 0.443341 S\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Tl",
"Ag",
"Sb",
"S"
],
"chemical_system": "Ag-S-Sb-Tl",
"density": 6.123761567387831,
"density_atomic": 0.03761255267629116,
"volume": 1488.8646479795893,
"volume_molar": 16.010986576287387,
"formula_full": "Tl12 Ag12 Sb8 S24",
"formula_reduced": "Tl3Ag3(SbS3)2",
"formula_anonymous": "A2B3C3D6",
"energy": -220.8410225,
"energy_per_atom": -3.9435896875000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.7690225,
"band_gap": 1.4166999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.148000Z",
"spacegroup": 14
},
{
"id": "mp-5142",
"created_at": "2022-09-04T14:42:54.924906Z",
"structure_string": "Sn12 Te12 Ir8\n1.0\n6.704169 -6.696294 0.000000\n6.704169 6.696294 0.000000\n0.015741 0.000000 9.475546\nSn Te Ir\n12 12 8\ndirect\n0.174295 0.660598 0.500313 Sn\n0.825705 0.339402 0.499687 Sn\n0.339402 0.499687 0.825705 Sn\n0.499687 0.825705 0.339402 Sn\n0.660598 0.500313 0.174295 Sn\n0.500313 0.174295 0.660598 Sn\n0.325236 0.160006 0.998597 Sn\n0.160006 0.998597 0.325236 Sn\n0.001403 0.674764 0.839994 Sn\n0.839994 0.001403 0.674764 Sn\n0.674764 0.839994 0.001403 Sn\n0.998597 0.325236 0.160006 Sn\n0.849378 0.999894 0.345325 Te\n0.345325 0.849378 0.999894 Te\n0.498084 0.154586 0.349889 Te\n0.349889 0.498084 0.154586 Te\n0.845414 0.650111 0.501916 Te\n0.154586 0.349889 0.498084 Te\n0.501916 0.845414 0.650111 Te\n0.650111 0.501916 0.845414 Te\n0.000106 0.654675 0.150622 Te\n0.150622 0.000106 0.654675 Te\n0.654675 0.150622 0.000106 Te\n0.999894 0.345325 0.849378 Te\n0.751894 0.751670 0.252351 Ir\n0.751670 0.252351 0.751894 Ir\n0.252351 0.751894 0.751670 Ir\n0.248106 0.248330 0.747649 Ir\n0.248330 0.747649 0.248106 Ir\n0.747649 0.248106 0.248330 Ir\n0.251090 0.251090 0.251090 Ir\n0.748910 0.748910 0.748910 Ir\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Sn",
"Te",
"Ir"
],
"chemical_system": "Ir-Sn-Te",
"density": 8.77032898104889,
"density_atomic": 0.03761285257753385,
"volume": 850.7730152621712,
"volume_molar": 16.01085891474507,
"formula_full": "Sn12 Te12 Ir8",
"formula_reduced": "Sn3Te3Ir2",
"formula_anonymous": "A2B3C3",
"energy": -169.64456618,
"energy_per_atom": -5.301392693125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.64456618,
"band_gap": 0.5688999999999993,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.944000Z",
"spacegroup": 148
},
{
"id": "mp-1190080",
"created_at": "2022-09-04T14:45:14.861981Z",
"structure_string": "Be6 Cl12\n1.0\n-4.927449 4.927449 4.927449\n4.927449 -4.927449 4.927449\n4.927449 4.927449 -4.927449\nBe Cl\n6 12\ndirect\n0.500000 0.250000 0.750000 Be\n0.250000 0.500000 0.750000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.500000 0.250000 Be\n0.750000 0.250000 0.500000 Be\n0.500000 0.750000 0.250000 Be\n0.257598 0.526121 0.000000 Cl\n0.000000 0.526121 0.257598 Cl\n0.742402 0.268522 0.742402 Cl\n0.742402 0.742402 0.268522 Cl\n0.000000 0.257598 0.526121 Cl\n0.257598 0.000000 0.526121 Cl\n0.526121 0.257598 0.000000 Cl\n0.268522 0.742402 0.742402 Cl\n0.526121 0.000000 0.257598 Cl\n0.473879 0.473879 0.731478 Cl\n0.731478 0.473879 0.473879 Cl\n0.473879 0.731478 0.473879 Cl\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Be",
"Cl"
],
"chemical_system": "Be-Cl",
"density": 1.6638705639147708,
"density_atomic": 0.03761370377185775,
"volume": 478.5489913244717,
"volume_molar": 16.010496590622154,
"formula_full": "Be6 Cl12",
"formula_reduced": "BeCl2",
"formula_anonymous": "AB2",
"energy": -77.21616698,
"energy_per_atom": -4.289787054444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.84816698,
"band_gap": 6.5805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.298000Z",
"spacegroup": 217
},
{
"id": "mp-1215902",
"created_at": "2022-09-04T14:46:13.470246Z",
"structure_string": "Yb6 O14\n1.0\n4.028951 0.000000 0.000000\n0.000000 11.644740 0.000000\n0.000000 3.800474 11.333075\nYb O\n6 14\ndirect\n0.750000 0.082933 0.101116 Yb\n0.250000 0.917067 0.898884 Yb\n0.250000 0.063906 0.365196 Yb\n0.750000 0.638667 0.933454 Yb\n0.750000 0.936094 0.634804 Yb\n0.250000 0.361333 0.066546 Yb\n0.750000 0.007324 0.305770 O\n0.250000 0.706845 0.981687 O\n0.250000 0.992676 0.694230 O\n0.750000 0.293155 0.018313 O\n0.250000 0.272045 0.270388 O\n0.750000 0.727955 0.729612 O\n0.250000 0.155088 0.161647 O\n0.750000 0.844912 0.838353 O\n0.750000 0.084082 0.445824 O\n0.250000 0.553289 0.917996 O\n0.250000 0.915918 0.554176 O\n0.750000 0.446711 0.082004 O\n0.750000 0.018770 0.940016 O\n0.250000 0.981230 0.059984 O\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 3.942017985569727,
"density_atomic": 0.03761494672729849,
"volume": 531.7035311786125,
"volume_molar": 16.009967536733264,
"formula_full": "Yb6 O14",
"formula_reduced": "Yb3O7",
"formula_anonymous": "A3B7",
"energy": -111.15215897,
"energy_per_atom": -5.5576079485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.53415897,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9276924,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.675000Z",
"spacegroup": 11
},
{
"id": "mp-1185403",
"created_at": "2022-09-04T14:47:08.885249Z",
"structure_string": "Li1 Pr2 Ga1\n1.0\n0.000000 3.760303 3.760303\n3.760303 0.000000 3.760303\n3.760303 3.760303 0.000000\nLi Pr Ga\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.750000 0.750000 Pr\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pr",
"Ga"
],
"chemical_system": "Ga-Li-Pr",
"density": 5.597764983636685,
"density_atomic": 0.037615035160478004,
"volume": 106.34045622806667,
"volume_molar": 16.0099298972009,
"formula_full": "Li1 Pr2 Ga1",
"formula_reduced": "LiPr2Ga",
"formula_anonymous": "ABC2",
"energy": -15.6630157,
"energy_per_atom": -3.915753925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.6630157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.733000Z",
"spacegroup": 225
},
{
"id": "mp-1207825",
"created_at": "2022-09-04T14:39:23.650551Z",
"structure_string": "Y16 Mg4 Ni4\n1.0\n0.000000 6.832890 6.832890\n6.832890 0.000000 6.832890\n6.832890 6.832890 0.000000\nY Mg Ni\n16 4 4\ndirect\n0.061766 0.438234 0.438234 Y\n0.438234 0.061766 0.061766 Y\n0.438234 0.061766 0.438234 Y\n0.061766 0.438234 0.061766 Y\n0.438234 0.438234 0.061766 Y\n0.061766 0.061766 0.438234 Y\n0.184055 0.815945 0.815945 Y\n0.815945 0.184055 0.184055 Y\n0.815945 0.184055 0.815945 Y\n0.184055 0.815945 0.184055 Y\n0.815945 0.815945 0.184055 Y\n0.184055 0.184055 0.815945 Y\n0.596286 0.596286 0.596286 Y\n0.596286 0.596286 0.211142 Y\n0.596286 0.211142 0.596286 Y\n0.211142 0.596286 0.596286 Y\n0.829927 0.829927 0.829927 Mg\n0.829927 0.829927 0.510219 Mg\n0.829927 0.510219 0.829927 Mg\n0.510219 0.829927 0.829927 Mg\n0.391283 0.391283 0.391283 Ni\n0.391283 0.391283 0.826150 Ni\n0.391283 0.826150 0.391283 Ni\n0.826150 0.391283 0.391283 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Y",
"density": 4.566211444496689,
"density_atomic": 0.03761559694687064,
"volume": 638.0332082433331,
"volume_molar": 16.009690789982265,
"formula_full": "Y16 Mg4 Ni4",
"formula_reduced": "Y4MgNi",
"formula_anonymous": "ABC4",
"energy": -137.85218735,
"energy_per_atom": -5.743841139583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.85218735,
"band_gap": 0.0301,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.863000Z",
"spacegroup": 216
},
{
"id": "mp-1094732",
"created_at": "2022-09-04T14:48:19.350880Z",
"structure_string": "Ce4 Mg2\n1.0\n1.618495 -8.606319 0.000000\n1.618495 8.606319 0.000000\n0.000000 0.000000 5.725510\nCe Mg\n4 2\ndirect\n0.002525 0.997475 0.000000 Ce\n0.323075 0.676925 0.000000 Ce\n0.664800 0.335200 0.000000 Ce\n0.451609 0.548391 0.500000 Ce\n0.118594 0.881406 0.500000 Mg\n0.772730 0.227270 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.340831077110636,
"density_atomic": 0.037616490569230054,
"volume": 159.50451276036753,
"volume_molar": 16.009310461635824,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.58762406,
"energy_per_atom": -4.431270676666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58762406,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8935118,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:05.567000Z",
"spacegroup": 38
},
{
"id": "mp-29665",
"created_at": "2022-09-04T14:40:18.099392Z",
"structure_string": "Sb3 Au1\n1.0\n-2.984496 2.984496 2.984496\n2.984496 -2.984496 2.984496\n2.984496 2.984496 -2.984496\nSb Au\n3 1\ndirect\n0.500000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 8.780169835386813,
"density_atomic": 0.03761724594084844,
"volume": 106.33420655754102,
"volume_molar": 16.00898898731068,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
"formula_anonymous": "AB3",
"energy": -16.03362616,
"energy_per_atom": -4.00840654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.45762616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000213,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.285000Z",
"spacegroup": 229
},
{
"id": "mp-984791",
"created_at": "2022-09-04T14:40:12.423139Z",
"structure_string": "Ca1 Tm1 Cd2\n1.0\n0.000000 3.760219 3.760219\n3.760219 0.000000 3.760219\n3.760219 3.760219 0.000000\nCa Tm Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tm",
"Cd"
],
"chemical_system": "Ca-Cd-Tm",
"density": 6.774909192522087,
"density_atomic": 0.037617556077641154,
"volume": 106.33332988842119,
"volume_molar": 16.008857001689687,
"formula_full": "Ca1 Tm1 Cd2",
"formula_reduced": "CaTmCd2",
"formula_anonymous": "ABC2",
"energy": -9.62312069,
"energy_per_atom": -2.4057801725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.62312069,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016563,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.909000Z",
"spacegroup": 225
}
]
}