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=11497",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=11495",
"results": [
{
"id": "mp-30282",
"created_at": "2022-09-04T14:43:35.278076Z",
"structure_string": "La4 I10\n1.0\n4.437137 0.000000 0.000000\n0.000000 9.239680 0.000000\n0.000000 0.819741 14.973877\nLa I\n4 10\ndirect\n0.250000 0.905122 0.153968 La\n0.750000 0.094878 0.846032 La\n0.250000 0.417158 0.656479 La\n0.750000 0.582842 0.343521 La\n0.250000 0.358910 0.280909 I\n0.750000 0.641090 0.719091 I\n0.250000 0.860344 0.929064 I\n0.750000 0.139656 0.070936 I\n0.750000 0.314462 0.512760 I\n0.250000 0.685538 0.487240 I\n0.750000 0.941084 0.312532 I\n0.250000 0.058916 0.687468 I\n0.750000 0.652995 0.125267 I\n0.250000 0.347005 0.874733 I\n",
"nsites": 14,
"nelements": 2,
"elements": [
"La",
"I"
],
"chemical_system": "I-La",
"density": 4.935584427052898,
"density_atomic": 0.02280520632322169,
"volume": 613.8949063462023,
"volume_molar": 26.406868127598912,
"formula_full": "La4 I10",
"formula_reduced": "La2I5",
"formula_anonymous": "A2B5",
"energy": -59.87449589,
"energy_per_atom": -4.276749706428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.08449589,
"band_gap": 0.1718000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0014587,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.294000Z",
"spacegroup": 11
},
{
"id": "mp-23194",
"created_at": "2022-09-04T14:39:59.931792Z",
"structure_string": "La1 I2\n1.0\n-1.976157 1.976157 7.476211\n1.976157 -1.976157 7.476211\n1.976157 1.976157 -7.476211\nLa I\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.373494 0.373494 0.000000 I\n0.626506 0.626506 0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"I"
],
"chemical_system": "I-La",
"density": 5.583949774999354,
"density_atomic": 0.025688386290768393,
"volume": 116.78429178239611,
"volume_molar": 23.44304812235002,
"formula_full": "La1 I2",
"formula_reduced": "LaI2",
"formula_anonymous": "AB2",
"energy": -13.00118622,
"energy_per_atom": -4.33372874,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.24318622,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0101866,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.406000Z",
"spacegroup": 139
},
{
"id": "mp-1185606",
"created_at": "2022-09-04T14:46:38.292361Z",
"structure_string": "La3 Ho1\n1.0\n-2.616464 2.616464 5.263884\n2.616464 -2.616464 5.263884\n2.616464 2.616464 -5.263884\nLa Ho\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Ho"
],
"chemical_system": "Ho-La",
"density": 6.700582511660972,
"density_atomic": 0.02775007508297104,
"volume": 144.14375413544803,
"volume_molar": 21.701349426962505,
"formula_full": "La3 Ho1",
"formula_reduced": "La3Ho",
"formula_anonymous": "AB3",
"energy": -19.25938259,
"energy_per_atom": -4.8148456475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.25938259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.041105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.972000Z",
"spacegroup": 139
},
{
"id": "mp-1062935",
"created_at": "2022-09-04T14:46:32.712538Z",
"structure_string": "La1 Hg2\n1.0\n2.578425 -4.465963 0.000000\n2.578425 4.465963 0.000000\n0.000000 0.000000 3.510065\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.520587 Hg\n0.333333 0.666667 0.479413 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 11.094220987902027,
"density_atomic": 0.037111326343280834,
"volume": 80.83785452047479,
"volume_molar": 16.227231288623383,
"formula_full": "La1 Hg2",
"formula_reduced": "LaHg2",
"formula_anonymous": "AB2",
"energy": -6.98337646,
"energy_per_atom": -2.3277921533333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.98337646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2116543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.194000Z",
"spacegroup": 164
},
{
"id": "mp-1222812",
"created_at": "2022-09-04T14:39:30.442263Z",
"structure_string": "La1 Hg3\n1.0\n2.020207 -3.499101 0.000000\n2.020207 3.499101 0.000000\n0.000000 0.000000 8.548341\nLa Hg\n1 3\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Hg\n0.333333 0.666667 0.766735 Hg\n0.333333 0.666667 0.233265 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 10.176838330930927,
"density_atomic": 0.03309754699547901,
"volume": 120.85487787195781,
"volume_molar": 18.195127151938483,
"formula_full": "La1 Hg3",
"formula_reduced": "LaHg3",
"formula_anonymous": "AB3",
"energy": -6.58251396,
"energy_per_atom": -1.64562849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58251396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006813,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.465000Z",
"spacegroup": 187
},
{
"id": "mp-11463",
"created_at": "2022-09-04T14:47:38.319134Z",
"structure_string": "La1 Hg2\n1.0\n2.556646 -4.428241 0.000000\n2.556646 4.428241 0.000000\n0.000000 0.000000 3.596537\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.500000 Hg\n0.333333 0.666667 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 11.012735675810227,
"density_atomic": 0.03683874947533125,
"volume": 81.43598908016473,
"volume_molar": 16.347299639019166,
"formula_full": "La1 Hg2",
"formula_reduced": "LaHg2",
"formula_anonymous": "AB2",
"energy": -6.987509449999999,
"energy_per_atom": -2.3291698166666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.987509449999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1994682,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:14.504000Z",
"spacegroup": 191
},
{
"id": "mp-1185127",
"created_at": "2022-09-04T14:44:19.770402Z",
"structure_string": "La6 Hg2\n1.0\n3.628810 -6.285283 0.000000\n3.628810 6.285283 0.000000\n0.000000 0.000000 5.608875\nLa Hg\n6 2\ndirect\n0.176763 0.353526 0.250000 La\n0.646474 0.823237 0.250000 La\n0.176763 0.823237 0.250000 La\n0.823237 0.646474 0.750000 La\n0.353526 0.176763 0.750000 La\n0.823237 0.176763 0.750000 La\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 8.012813897595679,
"density_atomic": 0.03126764433998413,
"volume": 255.85553913218334,
"volume_molar": 19.259975885996205,
"formula_full": "La6 Hg2",
"formula_reduced": "La3Hg",
"formula_anonymous": "AB3",
"energy": -31.73628613,
"energy_per_atom": -3.96703576625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73628613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.6199192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.076000Z",
"spacegroup": 194
},
{
"id": "mp-1185066",
"created_at": "2022-09-04T14:46:03.361553Z",
"structure_string": "La3 Hg1\n1.0\n-2.459129 2.459129 5.315329\n2.459129 -2.459129 5.315329\n2.459129 2.459129 -5.315329\nLa Hg\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 7.972547566036982,
"density_atomic": 0.031110516850172968,
"volume": 128.5738844926249,
"volume_molar": 19.35725076186421,
"formula_full": "La3 Hg1",
"formula_reduced": "La3Hg",
"formula_anonymous": "AB3",
"energy": -15.85578083,
"energy_per_atom": -3.9639452075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85578083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0095686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.140000Z",
"spacegroup": 139
},
{
"id": "mp-1063280",
"created_at": "2022-09-04T14:43:57.718362Z",
"structure_string": "La1 Hg2\n1.0\n2.785284 -4.824253 0.000000\n2.785284 4.824253 0.000000\n0.000000 0.000000 3.594469\nLa Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.944869 Hg\n0.333333 0.666667 0.055131 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 9.284259975059598,
"density_atomic": 0.03105681797451319,
"volume": 96.59714663820206,
"volume_molar": 19.39072046898712,
"formula_full": "La1 Hg2",
"formula_reduced": "LaHg2",
"formula_anonymous": "AB2",
"energy": -5.88356532,
"energy_per_atom": -1.96118844,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.88356532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002848,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.011000Z",
"spacegroup": 164
},
{
"id": "mp-1204948",
"created_at": "2022-09-04T14:45:31.660434Z",
"structure_string": "La22 Hg90\n1.0\n0.000000 11.275194 11.275194\n11.275194 0.000000 11.275194\n11.275194 11.275194 0.000000\nLa Hg\n22 90\ndirect\n0.000000 0.000000 0.000000 La\n0.014988 0.330130 0.639894 La\n0.014988 0.014988 0.639894 La\n0.330130 0.014988 0.639894 La\n0.014988 0.639894 0.330130 La\n0.330130 0.639894 0.014988 La\n0.014988 0.639894 0.014988 La\n0.639894 0.014988 0.014988 La\n0.639894 0.330130 0.014988 La\n0.639894 0.014988 0.330130 La\n0.330130 0.014988 0.014988 La\n0.014988 0.014988 0.330130 La\n0.014988 0.330130 0.014988 La\n0.250000 0.250000 0.250000 La\n0.406158 0.406158 0.781526 La\n0.406158 0.781526 0.406158 La\n0.781526 0.406158 0.406158 La\n0.406158 0.406158 0.406158 La\n0.661640 0.661640 0.015080 La\n0.661640 0.015080 0.661640 La\n0.015080 0.661640 0.661640 La\n0.661640 0.661640 0.661640 La\n0.083093 0.083093 0.750721 Hg\n0.083093 0.750721 0.083093 Hg\n0.750721 0.083093 0.083093 Hg\n0.083093 0.083093 0.083093 Hg\n0.914522 0.914522 0.256434 Hg\n0.914522 0.256434 0.914522 Hg\n0.256434 0.914522 0.914522 Hg\n0.914522 0.914522 0.914522 Hg\n0.154612 0.154612 0.845388 Hg\n0.845388 0.154612 0.845388 Hg\n0.154612 0.845388 0.845388 Hg\n0.845388 0.845388 0.154612 Hg\n0.154612 0.845388 0.154612 Hg\n0.845388 0.154612 0.154612 Hg\n0.391780 0.199660 0.016780 Hg\n0.391780 0.391780 0.016780 Hg\n0.199660 0.391780 0.016780 Hg\n0.391780 0.016780 0.199660 Hg\n0.199660 0.016780 0.391780 Hg\n0.391780 0.016780 0.391780 Hg\n0.016780 0.391780 0.391780 Hg\n0.016780 0.199660 0.391780 Hg\n0.016780 0.391780 0.199660 Hg\n0.199660 0.391780 0.391780 Hg\n0.391780 0.391780 0.199660 Hg\n0.391780 0.199660 0.391780 Hg\n0.162672 0.162672 0.511984 Hg\n0.162672 0.511984 0.162672 Hg\n0.511984 0.162672 0.162672 Hg\n0.162672 0.162672 0.162672 Hg\n0.259181 0.615521 0.866117 Hg\n0.259181 0.259181 0.866117 Hg\n0.615521 0.259181 0.866117 Hg\n0.259181 0.866117 0.615521 Hg\n0.615521 0.866117 0.259181 Hg\n0.259181 0.866117 0.259181 Hg\n0.866117 0.259181 0.259181 Hg\n0.866117 0.615521 0.259181 Hg\n0.866117 0.259181 0.615521 Hg\n0.615521 0.259181 0.259181 Hg\n0.259181 0.259181 0.615521 Hg\n0.259181 0.615521 0.259181 Hg\n0.500000 0.500000 0.500000 Hg\n0.641706 0.450068 0.266519 Hg\n0.641706 0.641706 0.266519 Hg\n0.450068 0.641706 0.266519 Hg\n0.641706 0.266519 0.450068 Hg\n0.450068 0.266519 0.641706 Hg\n0.641706 0.266519 0.641706 Hg\n0.266519 0.641706 0.641706 Hg\n0.266519 0.450068 0.641706 Hg\n0.266519 0.641706 0.450068 Hg\n0.450068 0.641706 0.641706 Hg\n0.641706 0.641706 0.450068 Hg\n0.641706 0.450068 0.641706 Hg\n0.511539 0.836951 0.139971 Hg\n0.511539 0.511539 0.139971 Hg\n0.836951 0.511539 0.139971 Hg\n0.511539 0.139971 0.836951 Hg\n0.836951 0.139971 0.511539 Hg\n0.511539 0.139971 0.511539 Hg\n0.139971 0.511539 0.511539 Hg\n0.139971 0.836951 0.511539 Hg\n0.139971 0.511539 0.836951 Hg\n0.836951 0.511539 0.511539 Hg\n0.511539 0.511539 0.836951 Hg\n0.511539 0.836951 0.511539 Hg\n0.750000 0.750000 0.750000 Hg\n0.828302 0.828302 0.515095 Hg\n0.828302 0.515095 0.828302 Hg\n0.515095 0.828302 0.828302 Hg\n0.828302 0.828302 0.828302 Hg\n0.911386 0.911386 0.588614 Hg\n0.588614 0.911386 0.588614 Hg\n0.911386 0.588614 0.588614 Hg\n0.588614 0.588614 0.911386 Hg\n0.911386 0.588614 0.911386 Hg\n0.588614 0.911386 0.911386 Hg\n0.763940 0.067379 0.404742 Hg\n0.763940 0.763940 0.404742 Hg\n0.067379 0.763940 0.404742 Hg\n0.763940 0.404742 0.067379 Hg\n0.067379 0.404742 0.763940 Hg\n0.763940 0.404742 0.763940 Hg\n0.404742 0.763940 0.763940 Hg\n0.404742 0.067379 0.763940 Hg\n0.404742 0.763940 0.067379 Hg\n0.067379 0.763940 0.763940 Hg\n0.763940 0.763940 0.067379 Hg\n0.763940 0.067379 0.763940 Hg\n",
"nsites": 112,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 12.226864829722372,
"density_atomic": 0.03906753031891314,
"volume": 2866.8308205235903,
"volume_molar": 15.414695300267283,
"formula_full": "La22 Hg90",
"formula_reduced": "La11Hg45",
"formula_anonymous": "A11B45",
"energy": -174.00544946,
"energy_per_atom": -1.5536200844642856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.00544946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0854251,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.908000Z",
"spacegroup": 216
},
{
"id": "mp-1205088",
"created_at": "2022-09-04T14:42:23.308558Z",
"structure_string": "La26 Hg116\n1.0\n0.000000 0.000000 -15.833039\n-8.183874 -14.174713 0.000000\n-8.183874 14.174713 0.000000\nLa Hg\n26 116\ndirect\n0.500000 0.000000 -0.000000 La\n-0.000000 0.000000 -0.000000 La\n0.750000 0.456060 0.912120 La\n0.750000 0.456064 0.543936 La\n0.750000 0.087880 0.543940 La\n0.250000 0.543940 0.087880 La\n0.250000 0.543936 0.456064 La\n0.250000 0.912120 0.456060 La\n0.750000 0.125732 0.251460 La\n0.750000 0.125721 0.874279 La\n0.750000 0.748540 0.874268 La\n0.250000 0.874268 0.748540 La\n0.250000 0.874279 0.125721 La\n0.250000 0.251460 0.125732 La\n0.554182 0.794203 0.588412 La\n0.554201 0.794204 0.205796 La\n0.554182 0.411588 0.205797 La\n0.445818 0.205797 0.411588 La\n0.445799 0.205796 0.794204 La\n0.445818 0.588412 0.794203 La\n0.054182 0.205797 0.411588 La\n0.054201 0.205796 0.794204 La\n0.054182 0.588412 0.794203 La\n0.945818 0.794203 0.588412 La\n0.945799 0.794204 0.205796 La\n0.945818 0.411588 0.205797 La\n0.750000 0.999998 0.000002 Hg\n0.250000 0.000002 0.999998 Hg\n0.250000 0.666673 0.333327 Hg\n0.750000 0.333327 0.666673 Hg\n0.592256 0.666679 0.333321 Hg\n0.407744 0.333321 0.666679 Hg\n0.092256 0.333321 0.666679 Hg\n0.907744 0.666679 0.333321 Hg\n0.500000 0.500000 -0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.000000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n-0.000000 0.000000 0.500000 Hg\n0.750000 0.732958 0.465919 Hg\n0.750000 0.732967 0.267033 Hg\n0.750000 0.534081 0.267042 Hg\n0.250000 0.267042 0.534081 Hg\n0.250000 0.267033 0.732967 Hg\n0.250000 0.465919 0.732958 Hg\n0.499999 0.801521 0.000001 Hg\n0.500000 0.198481 0.198481 Hg\n0.500001 0.000001 0.801521 Hg\n0.500001 0.198479 0.999999 Hg\n0.499999 0.999999 0.198479 Hg\n0.500000 0.801519 0.801519 Hg\n0.999999 0.198479 0.999999 Hg\n-0.000000 0.801519 0.801519 Hg\n0.000001 0.999999 0.198479 Hg\n0.000001 0.801521 0.000001 Hg\n0.999999 0.000001 0.801521 Hg\n-0.000000 0.198481 0.198481 Hg\n0.750000 0.921149 0.645676 Hg\n0.750000 0.724528 0.078843 Hg\n0.750000 0.354321 0.275473 Hg\n0.750000 0.724527 0.645679 Hg\n0.750000 0.354324 0.078851 Hg\n0.750000 0.921157 0.275472 Hg\n0.250000 0.078851 0.354324 Hg\n0.250000 0.275472 0.921157 Hg\n0.250000 0.645679 0.724527 Hg\n0.250000 0.275473 0.354321 Hg\n0.250000 0.645676 0.921149 Hg\n0.250000 0.078843 0.724528 Hg\n0.656716 0.906605 0.813209 Hg\n0.656718 0.906604 0.093396 Hg\n0.656716 0.186791 0.093395 Hg\n0.343284 0.093395 0.186791 Hg\n0.343282 0.093396 0.906604 Hg\n0.343284 0.813209 0.906605 Hg\n0.156716 0.093395 0.186791 Hg\n0.156718 0.093396 0.906604 Hg\n0.156716 0.813209 0.906605 Hg\n0.843284 0.906605 0.813209 Hg\n0.843282 0.906604 0.093396 Hg\n0.843284 0.186791 0.093395 Hg\n0.148122 0.440060 0.880122 Hg\n0.148115 0.440058 0.559942 Hg\n0.148122 0.119878 0.559940 Hg\n0.851878 0.559940 0.119878 Hg\n0.851885 0.559942 0.440058 Hg\n0.851878 0.880122 0.440060 Hg\n0.648122 0.559940 0.119878 Hg\n0.648115 0.559942 0.440058 Hg\n0.648122 0.880122 0.440060 Hg\n0.351878 0.440060 0.880122 Hg\n0.351885 0.440058 0.559942 Hg\n0.351878 0.119878 0.559940 Hg\n0.557254 0.399137 0.798279 Hg\n0.557242 0.399133 0.600867 Hg\n0.557254 0.201721 0.600863 Hg\n0.442746 0.600863 0.201721 Hg\n0.442758 0.600867 0.399133 Hg\n0.442746 0.798279 0.399137 Hg\n0.057254 0.600863 0.201721 Hg\n0.057242 0.600867 0.399133 Hg\n0.057254 0.798279 0.399137 Hg\n0.942746 0.399137 0.798279 Hg\n0.942758 0.399133 0.600867 Hg\n0.942746 0.201721 0.600863 Hg\n0.158392 0.767916 0.535836 Hg\n0.158391 0.767923 0.232077 Hg\n0.158392 0.464164 0.232084 Hg\n0.841608 0.232084 0.464164 Hg\n0.841609 0.232077 0.767923 Hg\n0.841608 0.535836 0.767916 Hg\n0.658392 0.232084 0.464164 Hg\n0.658391 0.232077 0.767923 Hg\n0.658392 0.535836 0.767916 Hg\n0.341608 0.767916 0.535836 Hg\n0.341609 0.767923 0.232077 Hg\n0.341608 0.464164 0.232084 Hg\n0.603001 0.636806 0.962936 Hg\n0.603000 0.326138 0.363198 Hg\n0.603000 0.037058 0.673862 Hg\n0.603000 0.326138 0.962942 Hg\n0.603001 0.037064 0.363194 Hg\n0.603000 0.636802 0.673862 Hg\n0.396999 0.363194 0.037064 Hg\n0.397000 0.673862 0.636802 Hg\n0.397000 0.962942 0.326138 Hg\n0.397000 0.673862 0.037058 Hg\n0.396999 0.962936 0.636806 Hg\n0.397000 0.363198 0.326138 Hg\n0.103001 0.363194 0.037064 Hg\n0.103000 0.673862 0.636802 Hg\n0.103000 0.962942 0.326138 Hg\n0.103000 0.673862 0.037058 Hg\n0.103001 0.962936 0.636806 Hg\n0.103000 0.363198 0.326138 Hg\n0.896999 0.636806 0.962936 Hg\n0.897000 0.326138 0.363198 Hg\n0.897000 0.037058 0.673862 Hg\n0.897000 0.326138 0.962942 Hg\n0.896999 0.037064 0.363194 Hg\n0.897000 0.636802 0.673862 Hg\n",
"nsites": 142,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 12.150959930956418,
"density_atomic": 0.038656351224346325,
"volume": 3673.3937762487617,
"volume_molar": 15.578658019350694,
"formula_full": "La26 Hg116",
"formula_reduced": "La13Hg58",
"formula_anonymous": "A13B58",
"energy": -204.01957783,
"energy_per_atom": -1.4367575903521126,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.01957783,
"band_gap": 0.0858999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:48.270000Z",
"spacegroup": 194
},
{
"id": "mp-862332",
"created_at": "2022-09-04T14:47:55.953401Z",
"structure_string": "La2 Hg6\n1.0\n3.455437 -5.984992 0.000000\n3.455437 5.984992 0.000000\n0.000000 0.000000 5.172101\nLa Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 La\n0.666667 0.333333 0.750000 La\n0.837793 0.162207 0.250000 Hg\n0.837793 0.675585 0.250000 Hg\n0.324415 0.162207 0.250000 Hg\n0.162207 0.837793 0.750000 Hg\n0.162207 0.324415 0.750000 Hg\n0.675585 0.837793 0.750000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"Hg"
],
"chemical_system": "Hg-La",
"density": 11.498561399594136,
"density_atomic": 0.03739611104430847,
"volume": 213.92598793284324,
"volume_molar": 16.103655144420543,
"formula_full": "La2 Hg6",
"formula_reduced": "LaHg3",
"formula_anonymous": "AB3",
"energy": -15.18176804,
"energy_per_atom": -1.897721005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.18176804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.006575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.435000Z",
"spacegroup": 194
}
]
}