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=elements&page=10159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10157",
"results": [
{
"id": "mp-1111802",
"created_at": "2022-09-04T14:39:19.229613Z",
"structure_string": "Rb2 Ga1 Ag1 I6\n1.0\n0.000000 5.863672 5.863672\n5.863672 0.000000 5.863672\n5.863672 5.863672 0.000000\nRb Ga Ag I\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 Ga\n0.500000 0.500000 0.500000 Ag\n0.756225 0.243775 0.243775 I\n0.243775 0.243775 0.756225 I\n0.243775 0.756225 0.756225 I\n0.243775 0.756225 0.243775 I\n0.756225 0.243775 0.756225 I\n0.756225 0.756225 0.243775 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ag",
"I"
],
"chemical_system": "Ag-Ga-I-Rb",
"density": 4.571039003572887,
"density_atomic": 0.02480053203347268,
"volume": 403.217156249037,
"volume_molar": 24.28230471778614,
"formula_full": "Rb2 Ga1 Ag1 I6",
"formula_reduced": "Rb2GaAgI6",
"formula_anonymous": "ABC2D6",
"energy": -26.89693397,
"energy_per_atom": -2.689693397,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.62293397,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.317000Z",
"spacegroup": 225
},
{
"id": "mp-1111718",
"created_at": "2022-09-04T14:41:20.158429Z",
"structure_string": "Rb2 Ga1 Au1 Br6\n1.0\n0.000000 5.432055 5.432055\n5.432055 0.000000 5.432055\n5.432055 5.432055 0.000000\nRb Ga Au Br\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 Ga\n0.500000 0.500000 0.500000 Au\n0.757218 0.242782 0.242782 Br\n0.242782 0.242782 0.757218 Br\n0.242782 0.757218 0.757218 Br\n0.242782 0.757218 0.242782 Br\n0.757218 0.242782 0.757218 Br\n0.757218 0.757218 0.242782 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Au",
"Br"
],
"chemical_system": "Au-Br-Ga-Rb",
"density": 4.750280419890025,
"density_atomic": 0.03119446406470225,
"volume": 320.56970042051114,
"volume_molar": 19.305158593233493,
"formula_full": "Rb2 Ga1 Au1 Br6",
"formula_reduced": "Rb2GaAuBr6",
"formula_anonymous": "ABC2D6",
"energy": -31.13023197,
"energy_per_atom": -3.113023197,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.926231970000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029031,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.791000Z",
"spacegroup": 225
},
{
"id": "mp-1111038",
"created_at": "2022-09-04T14:46:56.645594Z",
"structure_string": "Rb2 Ga1 Au1 Cl6\n1.0\n0.000000 5.147348 5.147348\n5.147348 0.000000 5.147348\n5.147348 5.147348 0.000000\nRb Ga Au 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 Ga\n0.500000 0.500000 0.500000 Au\n0.763912 0.236088 0.236088 Cl\n0.236088 0.236088 0.763912 Cl\n0.236088 0.763912 0.763912 Cl\n0.236088 0.763912 0.236088 Cl\n0.763912 0.236088 0.763912 Cl\n0.763912 0.763912 0.236088 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Ga-Rb",
"density": 3.9592332870072506,
"density_atomic": 0.036662275089222617,
"volume": 272.75994126561005,
"volume_molar": 16.425987599908364,
"formula_full": "Rb2 Ga1 Au1 Cl6",
"formula_reduced": "Rb2GaAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -34.97382769,
"energy_per_atom": -3.497382769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.28982769,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004422,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.098000Z",
"spacegroup": 225
},
{
"id": "mp-1110591",
"created_at": "2022-09-04T14:48:06.905742Z",
"structure_string": "Rb2 Ga1 Au1 F6\n1.0\n0.000000 4.437177 4.437177\n4.437177 0.000000 4.437177\n4.437177 4.437177 0.000000\nRb Ga Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.217852 0.217852 0.782148 F\n0.217852 0.782148 0.782148 F\n0.782148 0.782148 0.217852 F\n0.217852 0.782148 0.217852 F\n0.782148 0.217852 0.782148 F\n0.782148 0.217852 0.217852 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Au",
"F"
],
"chemical_system": "Au-F-Ga-Rb",
"density": 5.24246298517141,
"density_atomic": 0.0572334261613643,
"volume": 174.72307130112975,
"volume_molar": 10.522069293949198,
"formula_full": "Rb2 Ga1 Au1 F6",
"formula_reduced": "Rb2GaAuF6",
"formula_anonymous": "ABC2D6",
"energy": -44.86139442,
"energy_per_atom": -4.486139442000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.089394420000005,
"band_gap": 0.7904,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.439000Z",
"spacegroup": 225
},
{
"id": "mp-1111793",
"created_at": "2022-09-04T14:43:23.560400Z",
"structure_string": "Rb2 Ga1 Au1 I6\n1.0\n0.000000 5.849808 5.849808\n5.849808 0.000000 5.849808\n5.849808 5.849808 0.000000\nRb Ga Au I\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 Ga\n0.500000 0.500000 0.500000 Au\n0.752299 0.247701 0.247701 I\n0.247701 0.247701 0.752299 I\n0.247701 0.752299 0.752299 I\n0.247701 0.752299 0.247701 I\n0.752299 0.247701 0.752299 I\n0.752299 0.752299 0.247701 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Au",
"I"
],
"chemical_system": "Au-Ga-I-Rb",
"density": 4.97315825375171,
"density_atomic": 0.024977281478158114,
"volume": 400.3638269739123,
"volume_molar": 24.11047321249185,
"formula_full": "Rb2 Ga1 Au1 I6",
"formula_reduced": "Rb2GaAuI6",
"formula_anonymous": "ABC2D6",
"energy": -26.86227311,
"energy_per_atom": -2.686227311,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.58827311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.135000Z",
"spacegroup": 225
},
{
"id": "mp-560010",
"created_at": "2022-09-04T14:41:27.955764Z",
"structure_string": "Rb8 Ga8 B8 O28\n1.0\n7.867209 0.000000 0.000000\n0.000000 8.927484 0.000000\n0.000000 3.037732 11.782341\nRb Ga B O\n8 8 8 28\ndirect\n0.372110 0.466951 0.126966 Rb\n0.374511 0.946704 0.651363 Rb\n0.625489 0.053296 0.348637 Rb\n0.874511 0.053296 0.848637 Rb\n0.872110 0.533049 0.373034 Rb\n0.127890 0.466951 0.626966 Rb\n0.125489 0.946704 0.151363 Rb\n0.627890 0.533049 0.873034 Rb\n0.568973 0.314669 0.633360 Ga\n0.121520 0.154393 0.385662 Ga\n0.621520 0.845607 0.114338 Ga\n0.378480 0.154393 0.885662 Ga\n0.068973 0.685331 0.866640 Ga\n0.878480 0.845607 0.614338 Ga\n0.931027 0.314669 0.133360 Ga\n0.431027 0.685331 0.366640 Ga\n0.092167 0.345465 0.912977 B\n0.629388 0.184876 0.060826 B\n0.407833 0.345465 0.412977 B\n0.370612 0.815124 0.939174 B\n0.870612 0.184876 0.560826 B\n0.907833 0.654535 0.087023 B\n0.592167 0.654535 0.587023 B\n0.129388 0.815124 0.439174 B\n0.991072 0.516187 0.134120 O\n0.806926 0.716073 0.158422 O\n0.008928 0.483813 0.865880 O\n0.214153 0.955080 0.418630 O\n0.027732 0.212795 0.509207 O\n0.534238 0.176265 0.770721 O\n0.491072 0.483813 0.365880 O\n0.527732 0.787205 0.990793 O\n0.201479 0.690853 0.405733 O\n0.508928 0.516187 0.634120 O\n0.714153 0.044920 0.081370 O\n0.798521 0.309147 0.594267 O\n0.193074 0.283927 0.841578 O\n0.965762 0.176265 0.270721 O\n0.306926 0.283927 0.341578 O\n0.472268 0.212795 0.009207 O\n0.432282 0.260657 0.523429 O\n0.298521 0.690853 0.905733 O\n0.972268 0.787205 0.490793 O\n0.693074 0.716073 0.658422 O\n0.567718 0.739343 0.476571 O\n0.465762 0.823735 0.229279 O\n0.285847 0.955080 0.918630 O\n0.067718 0.260657 0.023429 O\n0.701479 0.309147 0.094267 O\n0.785847 0.044920 0.581370 O\n0.932282 0.739343 0.976571 O\n0.034238 0.823735 0.729279 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ga-O-Rb",
"density": 3.563773679247236,
"density_atomic": 0.0628379469945558,
"volume": 827.5254442113651,
"volume_molar": 9.583605206773784,
"formula_full": "Rb8 Ga8 B8 O28",
"formula_reduced": "Rb2Ga2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -355.22521806,
"energy_per_atom": -6.831254193461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.98921806,
"band_gap": 3.6745,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0058262,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.635000Z",
"spacegroup": 14
},
{
"id": "mp-1111036",
"created_at": "2022-09-04T14:43:57.850480Z",
"structure_string": "Rb2 Ga1 Cu1 F6\n1.0\n0.000000 4.247772 4.247772\n4.247772 0.000000 4.247772\n4.247772 4.247772 0.000000\nRb Ga Cu F\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 Ga\n0.500000 0.500000 0.500000 Cu\n0.770510 0.229490 0.229490 F\n0.229490 0.229490 0.770510 F\n0.229490 0.770510 0.770510 F\n0.229490 0.770510 0.229490 F\n0.770510 0.229490 0.770510 F\n0.770510 0.770510 0.229490 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Cu",
"F"
],
"chemical_system": "Cu-F-Ga-Rb",
"density": 4.530168586168107,
"density_atomic": 0.06523586281360085,
"volume": 153.28991705947251,
"volume_molar": 9.231334576208688,
"formula_full": "Rb2 Ga1 Cu1 F6",
"formula_reduced": "Rb2GaCuF6",
"formula_anonymous": "ABC2D6",
"energy": -47.05998973,
"energy_per_atom": -4.705998973,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.28798973,
"band_gap": 0.3578000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.374000Z",
"spacegroup": 225
},
{
"id": "mp-1186921",
"created_at": "2022-09-04T14:44:27.664327Z",
"structure_string": "Rb4 Ga4 Ge6 O20\n1.0\n3.377501 8.909907 0.000000\n-3.377501 8.909907 0.000000\n0.000000 8.814608 9.363646\nRb Ga Ge O\n4 4 6 20\ndirect\n0.626907 0.849600 0.131089 Rb\n0.150400 0.373093 0.868911 Rb\n0.276208 0.992728 0.621641 Rb\n0.007272 0.723792 0.378359 Rb\n0.730705 0.439666 0.537311 Ga\n0.560334 0.269295 0.462689 Ga\n0.260378 0.474443 0.064946 Ga\n0.525557 0.739622 0.935054 Ga\n0.692386 0.422501 0.806747 Ge\n0.577499 0.307614 0.193253 Ge\n0.264865 0.735135 0.500000 Ge\n0.008286 0.991714 0.000000 Ge\n0.760683 0.987246 0.702080 Ge\n0.012754 0.239317 0.297920 Ge\n0.002274 0.307044 0.403856 O\n0.692956 0.997726 0.596144 O\n0.633196 0.256980 0.683836 O\n0.743020 0.366804 0.316164 O\n0.059028 0.830338 0.653332 O\n0.169662 0.940972 0.346668 O\n0.498482 0.705833 0.460661 O\n0.294167 0.501518 0.539339 O\n0.789769 0.490202 0.618859 O\n0.509798 0.210231 0.381141 O\n0.143866 0.338092 0.115554 O\n0.661908 0.856134 0.884446 O\n0.407583 0.534864 0.869077 O\n0.465136 0.592417 0.130923 O\n0.475767 0.256601 0.153509 O\n0.743399 0.524233 0.846491 O\n0.868837 0.122727 0.883439 O\n0.877273 0.131163 0.116561 O\n0.031719 0.737767 0.111138 O\n0.262233 0.968281 0.888862 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ge",
"O"
],
"chemical_system": "Ga-Ge-O-Rb",
"density": 4.05611674916873,
"density_atomic": 0.060330271206991984,
"volume": 563.5645144598582,
"volume_molar": 9.981955392406826,
"formula_full": "Rb4 Ga4 Ge6 O20",
"formula_reduced": "Rb2Ga2Ge3O10",
"formula_anonymous": "A2B2C3D10",
"energy": -218.71812851,
"energy_per_atom": -6.432886132647059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.97812851,
"band_gap": 3.2697000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002222,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.603000Z",
"spacegroup": 5
},
{
"id": "mp-752475",
"created_at": "2022-09-04T14:45:57.560155Z",
"structure_string": "Rb4 Ga4 Ge6 O20\n1.0\n3.420848 8.924299 0.000000\n-3.420848 8.924299 0.000000\n0.000000 8.725922 9.489554\nRb Ga Ge O\n4 4 6 20\ndirect\n0.424294 0.122890 0.834649 Rb\n0.733339 0.988239 0.376913 Rb\n0.011761 0.266661 0.623087 Rb\n0.877110 0.575706 0.165351 Rb\n0.042306 0.692141 0.740385 Ga\n0.307619 0.569397 0.193011 Ga\n0.430603 0.692381 0.806989 Ga\n0.307859 0.957694 0.259615 Ga\n0.997753 0.002247 0.000000 Ge\n0.751283 0.505993 0.938413 Ge\n0.317445 0.526011 0.447168 Ge\n0.988766 0.011234 0.500000 Ge\n0.473989 0.682555 0.552832 Ge\n0.494007 0.248717 0.061587 Ge\n0.969147 0.259759 0.887350 O\n0.583083 0.723241 0.828471 O\n0.895912 0.584830 0.911303 O\n0.068146 0.727047 0.558668 O\n0.191235 0.531715 0.384136 O\n0.467836 0.273232 0.550311 O\n0.868516 0.009596 0.672790 O\n0.323176 0.567134 0.709669 O\n0.564679 0.388638 0.881782 O\n0.136410 0.872888 0.111337 O\n0.127112 0.863590 0.888663 O\n0.611362 0.435321 0.118218 O\n0.432866 0.676824 0.290331 O\n0.990404 0.131484 0.327210 O\n0.726768 0.532164 0.449689 O\n0.468285 0.808765 0.615864 O\n0.272953 0.931854 0.441332 O\n0.415170 0.104088 0.088697 O\n0.276759 0.416917 0.171529 O\n0.740241 0.030853 0.112650 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Ge",
"O"
],
"chemical_system": "Ga-Ge-O-Rb",
"density": 3.945212490107794,
"density_atomic": 0.058680692449544235,
"volume": 579.406932343793,
"volume_molar": 10.262559129100348,
"formula_full": "Rb4 Ga4 Ge6 O20",
"formula_reduced": "Rb2Ga2Ge3O10",
"formula_anonymous": "A2B2C3D10",
"energy": -215.10794971,
"energy_per_atom": -6.326704403235294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.36794971,
"band_gap": 2.0403,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013664,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:10.732000Z",
"spacegroup": 5
},
{
"id": "mp-1113384",
"created_at": "2022-09-04T14:47:01.333087Z",
"structure_string": "Rb2 Ga1 Hg1 Br6\n1.0\n0.000000 5.546088 5.546088\n5.546088 0.000000 5.546088\n5.546088 5.546088 0.000000\nRb Ga Hg Br\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 Ga\n0.500000 0.500000 0.500000 Hg\n0.763105 0.236895 0.236895 Br\n0.236895 0.236895 0.763105 Br\n0.236895 0.763105 0.763105 Br\n0.236895 0.763105 0.236895 Br\n0.763105 0.236895 0.763105 Br\n0.763105 0.763105 0.236895 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"Br"
],
"chemical_system": "Br-Ga-Hg-Rb",
"density": 4.480887613498941,
"density_atomic": 0.029309589475733696,
"volume": 341.18526321493874,
"volume_molar": 20.546656803180113,
"formula_full": "Rb2 Ga1 Hg1 Br6",
"formula_reduced": "Rb2GaHgBr6",
"formula_anonymous": "ABC2D6",
"energy": -28.94548667,
"energy_per_atom": -2.894548667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.74148667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.872000Z",
"spacegroup": 225
},
{
"id": "mp-1113320",
"created_at": "2022-09-04T14:43:15.505278Z",
"structure_string": "Rb2 Ga1 Hg1 Cl6\n1.0\n0.000000 5.268612 5.268612\n5.268612 0.000000 5.268612\n5.268612 5.268612 0.000000\nRb Ga Hg 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 Ga\n0.500000 0.500000 0.500000 Hg\n0.769059 0.230941 0.230941 Cl\n0.230941 0.230941 0.769059 Cl\n0.230941 0.769059 0.769059 Cl\n0.230941 0.769059 0.230941 Cl\n0.769059 0.230941 0.769059 Cl\n0.769059 0.769059 0.230941 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-Rb",
"density": 3.712667188528925,
"density_atomic": 0.034188602922658684,
"volume": 292.49513420077324,
"volume_molar": 17.614468697721467,
"formula_full": "Rb2 Ga1 Hg1 Cl6",
"formula_reduced": "Rb2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy": -32.78723176,
"energy_per_atom": -3.2787231759999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.10323176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.751000Z",
"spacegroup": 225
},
{
"id": "mp-1113779",
"created_at": "2022-09-04T14:39:15.161802Z",
"structure_string": "Rb2 Ga1 Hg1 F6\n1.0\n0.000000 4.511203 4.511203\n4.511203 0.000000 4.511203\n4.511203 4.511203 0.000000\nRb Ga Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.214601 0.214601 0.785399 F\n0.214601 0.785399 0.785399 F\n0.785399 0.785399 0.214601 F\n0.214601 0.785399 0.214601 F\n0.785399 0.214601 0.785399 F\n0.785399 0.214601 0.214601 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"F"
],
"chemical_system": "F-Ga-Hg-Rb",
"density": 5.021367056805318,
"density_atomic": 0.05446191313738749,
"volume": 183.61455600675754,
"volume_molar": 11.057527018575973,
"formula_full": "Rb2 Ga1 Hg1 F6",
"formula_reduced": "Rb2GaHgF6",
"formula_anonymous": "ABC2D6",
"energy": -43.01836602,
"energy_per_atom": -4.301836602,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.24636602,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048651,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.852000Z",
"spacegroup": 225
}
]
}