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=28",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=26",
"results": [
{
"id": "mp-1199288",
"created_at": "2022-09-04T14:44:13.400949Z",
"structure_string": "Sr26 Hg116\n1.0\n0.000000 -0.000000 -15.774717\n-8.538670 -14.789406 0.000000\n-8.538670 14.789406 -0.000000\nSr Hg\n26 116\ndirect\n0.500000 -0.000000 -0.000000 Sr\n-0.000000 -0.000000 -0.000000 Sr\n0.750000 0.459304 0.918605 Sr\n0.750000 0.459304 0.540696 Sr\n0.750000 0.081395 0.540696 Sr\n0.250000 0.540696 0.081395 Sr\n0.250000 0.540696 0.459304 Sr\n0.250000 0.918605 0.459304 Sr\n0.750000 0.124795 0.249589 Sr\n0.750000 0.124791 0.875209 Sr\n0.750000 0.750411 0.875205 Sr\n0.250000 0.875205 0.750411 Sr\n0.250000 0.875209 0.124791 Sr\n0.250000 0.249589 0.124795 Sr\n0.557441 0.792370 0.584742 Sr\n0.557438 0.792373 0.207627 Sr\n0.557441 0.415258 0.207629 Sr\n0.442559 0.207629 0.415258 Sr\n0.442562 0.207627 0.792373 Sr\n0.442559 0.584742 0.792370 Sr\n0.057441 0.207629 0.415258 Sr\n0.057438 0.207627 0.792373 Sr\n0.057441 0.584742 0.792370 Sr\n0.942559 0.792370 0.584742 Sr\n0.942562 0.792373 0.207627 Sr\n0.942559 0.415258 0.207629 Sr\n0.750000 1.000000 0.000000 Hg\n0.250000 0.000000 1.000000 Hg\n0.250000 0.666666 0.333334 Hg\n0.750000 0.333334 0.666666 Hg\n0.592468 0.666672 0.333328 Hg\n0.407532 0.333328 0.666672 Hg\n0.092468 0.333328 0.666672 Hg\n0.907532 0.666672 0.333328 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 0.733849 0.467699 Hg\n0.750000 0.733853 0.266147 Hg\n0.750000 0.532301 0.266151 Hg\n0.250000 0.266151 0.532301 Hg\n0.250000 0.266147 0.733853 Hg\n0.250000 0.467699 0.733849 Hg\n0.500000 0.800588 0.999999 Hg\n0.500000 0.199412 0.199412 Hg\n0.500000 0.999999 0.800588 Hg\n0.500000 0.199412 0.000001 Hg\n0.500000 0.000001 0.199412 Hg\n0.500000 0.800588 0.800588 Hg\n0.000000 0.199412 0.000001 Hg\n-0.000000 0.800588 0.800588 Hg\n-0.000000 0.000001 0.199412 Hg\n-0.000000 0.800588 0.999999 Hg\n0.000000 0.999999 0.800588 Hg\n-0.000000 0.199412 0.199412 Hg\n0.750000 0.920466 0.648578 Hg\n0.750000 0.728115 0.079530 Hg\n0.750000 0.351420 0.271889 Hg\n0.750000 0.728111 0.648580 Hg\n0.750000 0.351422 0.079534 Hg\n0.750000 0.920470 0.271885 Hg\n0.250000 0.079534 0.351422 Hg\n0.250000 0.271885 0.920470 Hg\n0.250000 0.648580 0.728111 Hg\n0.250000 0.271889 0.351420 Hg\n0.250000 0.648578 0.920466 Hg\n0.250000 0.079530 0.728115 Hg\n0.655961 0.906854 0.813708 Hg\n0.655961 0.906853 0.093147 Hg\n0.655961 0.186292 0.093146 Hg\n0.344039 0.093146 0.186292 Hg\n0.344039 0.093147 0.906853 Hg\n0.344039 0.813708 0.906854 Hg\n0.155961 0.093146 0.186292 Hg\n0.155961 0.093147 0.906853 Hg\n0.155961 0.813708 0.906854 Hg\n0.844039 0.906854 0.813708 Hg\n0.844039 0.906853 0.093147 Hg\n0.844039 0.186292 0.093146 Hg\n0.648568 0.562215 0.124429 Hg\n0.648566 0.562218 0.437782 Hg\n0.648568 0.875571 0.437785 Hg\n0.351432 0.437785 0.875571 Hg\n0.351434 0.437782 0.562218 Hg\n0.351432 0.124429 0.562215 Hg\n0.148568 0.437785 0.875571 Hg\n0.148566 0.437782 0.562218 Hg\n0.148568 0.124429 0.562215 Hg\n0.851432 0.562215 0.124429 Hg\n0.851434 0.562218 0.437782 Hg\n0.851432 0.875571 0.437785 Hg\n0.555874 0.400100 0.800207 Hg\n0.555864 0.400100 0.599900 Hg\n0.555874 0.199793 0.599900 Hg\n0.444126 0.599900 0.199793 Hg\n0.444136 0.599900 0.400100 Hg\n0.444126 0.800207 0.400100 Hg\n0.055874 0.599900 0.199793 Hg\n0.055864 0.599900 0.400100 Hg\n0.055874 0.800207 0.400100 Hg\n0.944126 0.400100 0.800207 Hg\n0.944136 0.400100 0.599900 Hg\n0.944126 0.199793 0.599900 Hg\n0.659680 0.234099 0.468194 Hg\n0.659681 0.234095 0.765905 Hg\n0.659680 0.531806 0.765901 Hg\n0.340320 0.765901 0.531806 Hg\n0.340319 0.765905 0.234095 Hg\n0.340320 0.468194 0.234099 Hg\n0.159680 0.765901 0.531806 Hg\n0.159681 0.765905 0.234095 Hg\n0.159680 0.468194 0.234099 Hg\n0.840320 0.234099 0.468194 Hg\n0.840319 0.234095 0.765905 Hg\n0.840320 0.531806 0.765901 Hg\n0.605097 0.634941 0.960312 Hg\n0.605095 0.325375 0.365061 Hg\n0.605096 0.039685 0.674627 Hg\n0.605096 0.325373 0.960315 Hg\n0.605097 0.039688 0.365059 Hg\n0.605095 0.634939 0.674625 Hg\n0.394903 0.365059 0.039688 Hg\n0.394905 0.674625 0.634939 Hg\n0.394904 0.960315 0.325373 Hg\n0.394904 0.674627 0.039685 Hg\n0.394903 0.960312 0.634941 Hg\n0.394905 0.365061 0.325375 Hg\n0.105097 0.365059 0.039688 Hg\n0.105095 0.674625 0.634939 Hg\n0.105096 0.960315 0.325373 Hg\n0.105096 0.674627 0.039685 Hg\n0.105097 0.960312 0.634941 Hg\n0.105095 0.365061 0.325375 Hg\n0.894903 0.634941 0.960312 Hg\n0.894905 0.325375 0.365061 Hg\n0.894904 0.039685 0.674627 Hg\n0.894904 0.325373 0.960315 Hg\n0.894903 0.039688 0.365059 Hg\n0.894905 0.634939 0.674625 Hg\n",
"nsites": 142,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 10.647532940173255,
"density_atomic": 0.035641486693769625,
"volume": 3984.1211232308824,
"volume_molar": 16.896435358440623,
"formula_full": "Sr26 Hg116",
"formula_reduced": "Sr13Hg58",
"formula_anonymous": "A13B58",
"energy": -120.05681049,
"energy_per_atom": -0.8454704964084507,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.05681049,
"band_gap": 0.0032,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.2929309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.247000Z",
"spacegroup": 194
},
{
"id": "mp-801341",
"created_at": "2022-09-04T14:39:18.911503Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n5.174635 0.000000 0.000000\n-2.579662 -4.527808 0.000000\n0.102098 2.884580 -9.421417\nLi Mn O F\n4 4 4 8\ndirect\n0.679095 0.783255 0.048772 Li\n0.320905 0.216745 0.951228 Li\n0.794147 0.220253 0.451155 Li\n0.205853 0.779747 0.548845 Li\n0.890799 0.796338 0.763796 Mn\n0.109201 0.203662 0.236204 Mn\n0.413432 0.814486 0.263687 Mn\n0.586568 0.185514 0.736313 Mn\n0.625992 0.328222 0.851770 O\n0.415794 0.001242 0.355623 O\n0.584206 0.998758 0.644377 O\n0.374008 0.671778 0.148230 O\n0.131925 0.318611 0.384286 F\n0.931358 0.989935 0.880751 F\n0.068642 0.010065 0.119249 F\n0.718307 0.311824 0.129656 F\n0.181306 0.277963 0.635564 F\n0.868075 0.681389 0.615714 F\n0.281693 0.688176 0.870344 F\n0.818694 0.722037 0.364436 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.48671000215789,
"density_atomic": 0.0906037232966512,
"volume": 220.7414802868175,
"volume_molar": 6.646681329289901,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy": -16.93616362,
"energy_per_atom": -0.8468081809999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.82016362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.6623401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.294000Z",
"spacegroup": 2
},
{
"id": "mp-949029",
"created_at": "2022-09-04T14:47:14.970257Z",
"structure_string": "Cs8\n1.0\n9.825794 0.000000 0.000000\n0.000000 9.825794 0.000000\n0.000000 0.000000 9.825794\nCs\n8\ndirect\n0.000000 0.250000 0.500000 Cs\n0.000000 0.750000 0.500000 Cs\n0.500000 0.000000 0.750000 Cs\n0.500000 0.000000 0.250000 Cs\n0.750000 0.500000 0.000000 Cs\n0.250000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8611394570649997,
"density_atomic": 0.008433095578909556,
"volume": 948.6433451563516,
"volume_molar": 71.41079694461017,
"formula_full": "Cs8",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -6.78970224,
"energy_per_atom": -0.84871278,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.78970224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.841000Z",
"spacegroup": 223
},
{
"id": "mp-1012110",
"created_at": "2022-09-04T14:46:10.006807Z",
"structure_string": "Cs4\n1.0\n5.354405 0.000000 0.000000\n0.000000 8.731849 0.000000\n0.000000 0.000000 10.022037\nCs\n4\ndirect\n0.732089 0.750000 0.391224 Cs\n0.267911 0.250000 0.608776 Cs\n0.732089 0.250000 0.108776 Cs\n0.267911 0.750000 0.891224 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8839893745320324,
"density_atomic": 0.008536631902981455,
"volume": 468.5688741719065,
"volume_molar": 70.54469290044874,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.39635312,
"energy_per_atom": -0.84908828,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.39635312,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.978000Z",
"spacegroup": 57
},
{
"id": "mp-974990",
"created_at": "2022-09-04T14:41:37.368447Z",
"structure_string": "Rb3 Hg1\n1.0\n0.000000 5.026909 5.026909\n5.026909 0.000000 5.026909\n5.026909 5.026909 0.000000\nRb Hg\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 2.986936289924527,
"density_atomic": 0.015744429381513044,
"volume": 254.058111797736,
"volume_molar": 38.24934276164457,
"formula_full": "Rb3 Hg1",
"formula_reduced": "Rb3Hg",
"formula_anonymous": "AB3",
"energy": -3.40456878,
"energy_per_atom": -0.851142195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.40456878,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056047,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.814000Z",
"spacegroup": 225
},
{
"id": "mp-1096915",
"created_at": "2022-09-04T14:46:20.236845Z",
"structure_string": "Cs1\n1.0\n4.338132 3.019011 0.000000\n-4.338132 3.019011 0.000000\n0.000000 2.574936 4.413887\nCs\n1\ndirect\n0.000000 0.000000 0.500000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9088562740358759,
"density_atomic": 0.008649307468195548,
"volume": 115.61619281972685,
"volume_molar": 69.62569872956963,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85319385,
"energy_per_atom": -0.85319385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85319385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002538,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.928000Z",
"spacegroup": 12
},
{
"id": "mp-30717",
"created_at": "2022-09-04T14:41:06.994280Z",
"structure_string": "K2 Hg4\n1.0\n-2.649394 4.117988 4.720714\n2.649394 -4.117988 4.720714\n2.649394 4.117988 -4.720714\nK Hg\n2 4\ndirect\n0.700862 0.950862 0.750000 K\n0.299138 0.049138 0.250000 K\n0.282874 0.336990 0.945883 Hg\n0.717126 0.663010 0.054117 Hg\n0.891107 0.336990 0.554117 Hg\n0.108893 0.663010 0.445883 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"K",
"Hg"
],
"chemical_system": "Hg-K",
"density": 7.097527233874118,
"density_atomic": 0.029124061802565018,
"volume": 206.0152200154845,
"volume_molar": 20.67754422726028,
"formula_full": "K2 Hg4",
"formula_reduced": "KHg2",
"formula_anonymous": "AB2",
"energy": -5.12057237,
"energy_per_atom": -0.8534287283333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.12057237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.746000Z",
"spacegroup": 74
},
{
"id": "mp-1055940",
"created_at": "2022-09-04T14:44:55.418470Z",
"structure_string": "Cs1\n1.0\n0.000000 3.859632 3.859632\n3.859632 0.000000 3.859632\n3.859632 3.859632 0.000000\nCs\n1\ndirect\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9192175348177187,
"density_atomic": 0.008696255858956703,
"volume": 114.99201681952017,
"volume_molar": 69.2498111563438,
"formula_full": "Cs1",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -0.85403088,
"energy_per_atom": -0.85403088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.85403088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005489,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.659000Z",
"spacegroup": 225
},
{
"id": "mp-1093929",
"created_at": "2022-09-04T14:45:35.144432Z",
"structure_string": "Ba2 Na1 Tl1\n1.0\n-7.193230 7.265794 10.268023\n7.193230 -7.265794 10.268023\n7.193230 7.265794 -10.268023\nBa Na Tl\n2 1 1\ndirect\n0.000000 0.268684 0.268684 Ba\n0.000000 0.731316 0.731316 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Tl"
],
"chemical_system": "Ba-Na-Tl",
"density": 0.3883491695601142,
"density_atomic": 0.0018634002085046435,
"volume": 2146.613476666911,
"volume_molar": 323.1802128450278,
"formula_full": "Ba2 Na1 Tl1",
"formula_reduced": "Ba2NaTl",
"formula_anonymous": "ABC2",
"energy": -3.41640613,
"energy_per_atom": -0.8541015325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.41640613,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0004242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.008000Z",
"spacegroup": 71
},
{
"id": "mp-581457",
"created_at": "2022-09-04T14:48:16.967506Z",
"structure_string": "Rb30 Hg32\n1.0\n-8.606566 8.606566 9.332750\n8.606566 -8.606566 9.332750\n8.606566 8.606566 -9.332750\nRb Hg\n30 32\ndirect\n0.512769 0.518402 0.456681 Rb\n0.204020 0.977232 0.265855 Rb\n0.806089 0.762769 0.494367 Rb\n0.688166 0.454020 0.726788 Rb\n0.506731 0.711692 0.746262 Rb\n0.784569 0.489530 0.246262 Rb\n0.288308 0.034569 0.795039 Rb\n0.243821 0.243821 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.510470 0.756731 0.295039 Rb\n0.545980 0.272768 0.234145 Rb\n0.756179 0.756179 0.000000 Rb\n0.237231 0.731598 0.043319 Rb\n0.061721 0.056089 0.543319 Rb\n0.688279 0.193911 0.956681 Rb\n0.243269 0.538308 0.753738 Rb\n0.993821 0.493821 0.500000 Rb\n0.965431 0.760470 0.253738 Rb\n0.022768 0.288623 0.226788 Rb\n0.943911 0.487231 0.005633 Rb\n0.711377 0.938166 0.734145 Rb\n0.506179 0.006179 0.500000 Rb\n0.461692 0.215431 0.704961 Rb\n0.750000 0.250000 0.500000 Rb\n0.481598 0.938279 0.994367 Rb\n0.268402 0.311721 0.505633 Rb\n0.727232 0.961377 0.273212 Rb\n0.239530 0.493269 0.204961 Rb\n0.038623 0.311834 0.765855 Rb\n0.061834 0.795980 0.773212 Rb\n0.793494 0.540150 0.568070 Hg\n0.262060 0.752501 0.674547 Hg\n0.487940 0.497499 0.825452 Hg\n0.959169 0.217131 0.931525 Hg\n0.672046 0.662487 0.174547 Hg\n0.956506 0.709850 0.931930 Hg\n0.290150 0.222079 0.246656 Hg\n0.459850 0.027921 0.253344 Hg\n0.777921 0.024577 0.068070 Hg\n0.077008 0.762866 0.512790 Hg\n0.782869 0.714395 0.742038 Hg\n0.285605 0.027644 0.068475 Hg\n0.237134 0.749924 0.314141 Hg\n0.499924 0.685783 0.012790 Hg\n0.972079 0.225423 0.431930 Hg\n0.412487 0.737940 0.490441 Hg\n0.512866 0.500076 0.185859 Hg\n0.435783 0.922992 0.685859 Hg\n0.077954 0.587513 0.325452 Hg\n0.972356 0.040831 0.257962 Hg\n0.250076 0.564217 0.487210 Hg\n0.967131 0.535605 0.757962 Hg\n0.337513 0.512060 0.009559 Hg\n0.314217 0.327008 0.814141 Hg\n0.774577 0.206506 0.746656 Hg\n0.502501 0.327954 0.990441 Hg\n0.464395 0.222356 0.431525 Hg\n0.777644 0.209169 0.242038 Hg\n0.247499 0.922046 0.509559 Hg\n0.672992 0.487134 0.987210 Hg\n0.975423 0.043494 0.753344 Hg\n0.790831 0.032869 0.568475 Hg\n",
"nsites": 62,
"nelements": 2,
"elements": [
"Rb",
"Hg"
],
"chemical_system": "Hg-Rb",
"density": 5.394322517309715,
"density_atomic": 0.022421375846955444,
"volume": 2765.2183533785624,
"volume_molar": 26.858926058356655,
"formula_full": "Rb30 Hg32",
"formula_reduced": "Rb15Hg16",
"formula_anonymous": "A15B16",
"energy": -53.01478373,
"energy_per_atom": -0.8550771569354838,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.01478373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.236266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:56.550000Z",
"spacegroup": 88
},
{
"id": "mp-11474",
"created_at": "2022-09-04T14:42:57.410000Z",
"structure_string": "Tl1 Hg3\n1.0\n4.882347 0.000000 0.000000\n0.000000 4.882347 0.000000\n0.000000 0.000000 4.882347\nTl Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Hg"
],
"chemical_system": "Hg-Tl",
"density": 11.502197118273612,
"density_atomic": 0.03436956723712353,
"volume": 116.38202984643601,
"volume_molar": 17.52172414174397,
"formula_full": "Tl1 Hg3",
"formula_reduced": "TlHg3",
"formula_anonymous": "AB3",
"energy": -3.42042044,
"energy_per_atom": -0.85510511,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.42042044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003805,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.887000Z",
"spacegroup": 221
},
{
"id": "mp-1182809",
"created_at": "2022-09-04T14:44:13.801366Z",
"structure_string": "Cs4\n1.0\n5.348822 0.000000 0.000000\n0.000000 9.093349 0.000000\n0.000000 0.000000 9.428690\nCs\n4\ndirect\n0.756036 0.408856 0.750000 Cs\n0.243964 0.591144 0.250000 Cs\n0.756036 0.091144 0.250000 Cs\n0.243964 0.908856 0.750000 Cs\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.9249458771194448,
"density_atomic": 0.008722211817257295,
"volume": 458.59927318960735,
"volume_molar": 69.04373438953775,
"formula_full": "Cs4",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -3.4207228,
"energy_per_atom": -0.8551807,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.4207228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.574000Z",
"spacegroup": 57
}
]
}