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=-structure_string&page=12117",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=12115",
"results": [
{
"id": "mp-1183244",
"created_at": "2022-09-04T14:41:17.276350Z",
"structure_string": "Ag6 F2\n1.0\n2.904744 -5.031165 0.000000\n2.904744 5.031165 0.000000\n0.000000 0.000000 4.576335\nAg F\n6 2\ndirect\n0.167335 0.334670 0.250000 Ag\n0.665330 0.832665 0.250000 Ag\n0.167335 0.832665 0.250000 Ag\n0.832665 0.665330 0.750000 Ag\n0.334670 0.167335 0.750000 Ag\n0.832665 0.167335 0.750000 Ag\n0.333333 0.666667 0.750000 F\n0.666667 0.333333 0.250000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"F"
],
"chemical_system": "Ag-F",
"density": 8.506404503323726,
"density_atomic": 0.059808892297785014,
"volume": 133.75937411059985,
"volume_molar": 10.068972235794153,
"formula_full": "Ag6 F2",
"formula_reduced": "Ag3F",
"formula_anonymous": "AB3",
"energy": -24.20613439,
"energy_per_atom": -3.02576679875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.28213439,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.5e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.576000Z",
"spacegroup": 194
},
{
"id": "mp-18536",
"created_at": "2022-09-04T14:46:06.477639Z",
"structure_string": "Ag6 F18\n1.0\n2.597770 -4.499470 0.000000\n2.597770 4.499470 0.000000\n0.000000 0.000000 15.429810\nAg F\n6 18\ndirect\n0.709100 0.418200 0.750000 Ag\n0.290900 0.709100 0.916667 Ag\n0.418200 0.709100 0.583333 Ag\n0.581800 0.290900 0.083333 Ag\n0.709100 0.290900 0.416667 Ag\n0.290900 0.581800 0.250000 Ag\n0.892632 0.555488 0.164321 F\n0.444512 0.337145 0.497654 F\n0.662855 0.107368 0.830987 F\n0.337145 0.892632 0.330987 F\n0.107368 0.662855 0.502346 F\n0.107368 0.444512 0.664321 F\n0.257326 0.000000 0.000000 F\n0.257326 0.257326 0.166667 F\n0.000000 0.742674 0.833333 F\n0.000000 0.257326 0.333333 F\n0.742674 0.742674 0.666667 F\n0.742674 0.000000 0.500000 F\n0.892632 0.337145 0.002346 F\n0.555488 0.892632 0.169013 F\n0.337145 0.444512 0.835679 F\n0.662855 0.555488 0.335679 F\n0.444512 0.107368 0.669013 F\n0.555488 0.662855 0.997654 F\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ag",
"F"
],
"chemical_system": "Ag-F",
"density": 4.5537794582091085,
"density_atomic": 0.0665362944108582,
"volume": 360.70538962992487,
"volume_molar": 9.050910955175215,
"formula_full": "Ag6 F18",
"formula_reduced": "AgF3",
"formula_anonymous": "AB3",
"energy": -83.00258969000001,
"energy_per_atom": -3.4584412370833335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.68658969,
"band_gap": 0.2084999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004864,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.913000Z",
"spacegroup": 178
},
{
"id": "mp-562412",
"created_at": "2022-09-04T14:47:11.900182Z",
"structure_string": "Ag6 F16\n1.0\n11.401493 0.000000 0.000000\n0.000000 5.232784 0.000000\n0.000000 4.557265 5.534581\nAg F\n6 16\ndirect\n0.316077 0.754591 0.974769 Ag\n0.683923 0.245409 0.025231 Ag\n0.816077 0.245409 0.525231 Ag\n0.183923 0.754591 0.474769 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.912385 0.956742 0.826743 F\n0.717434 0.545720 0.240210 F\n0.087615 0.043258 0.173257 F\n0.587615 0.956742 0.326743 F\n0.534878 0.411417 0.833542 F\n0.329152 0.915162 0.285316 F\n0.670848 0.084838 0.714684 F\n0.282566 0.454280 0.759790 F\n0.170848 0.915162 0.785316 F\n0.782566 0.545720 0.740210 F\n0.034878 0.588583 0.666458 F\n0.465122 0.588583 0.166458 F\n0.217434 0.454280 0.259790 F\n0.965122 0.411417 0.333542 F\n0.412385 0.043258 0.673257 F\n0.829152 0.084838 0.214684 F\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ag",
"F"
],
"chemical_system": "Ag-F",
"density": 4.783372402517967,
"density_atomic": 0.06662594773992075,
"volume": 330.2016818714325,
"volume_molar": 9.038731851902305,
"formula_full": "Ag6 F16",
"formula_reduced": "Ag3F8",
"formula_anonymous": "A3B8",
"energy": -77.44740455,
"energy_per_atom": -3.5203365704545457,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.05540455,
"band_gap": 0.3068999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9982591,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.669000Z",
"spacegroup": 14
},
{
"id": "mp-1183265",
"created_at": "2022-09-04T14:43:10.071675Z",
"structure_string": "Ag6 Cl2\n1.0\n3.135101 -5.430155 0.000000\n3.135101 5.430155 0.000000\n0.000000 0.000000 4.773098\nAg Cl\n6 2\ndirect\n0.154707 0.309413 0.250000 Ag\n0.690587 0.845293 0.250000 Ag\n0.154707 0.845293 0.250000 Ag\n0.845293 0.690587 0.750000 Ag\n0.309413 0.154707 0.750000 Ag\n0.845293 0.154707 0.750000 Ag\n0.333333 0.666667 0.750000 Cl\n0.666667 0.333333 0.250000 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl",
"density": 7.33751677069213,
"density_atomic": 0.049226150720373466,
"volume": 162.5152461228093,
"volume_molar": 12.233621097470023,
"formula_full": "Ag6 Cl2",
"formula_reduced": "Ag3Cl",
"formula_anonymous": "AB3",
"energy": -21.52005691,
"energy_per_atom": -2.69000711375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.29205691,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.22e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.150000Z",
"spacegroup": 194
},
{
"id": "mp-6814",
"created_at": "2022-09-04T14:39:38.725737Z",
"structure_string": "Ag6 C6 N6 O6\n1.0\n5.074902 -8.127170 0.000000\n5.074902 8.127170 0.000000\n-7.940303 0.000000 5.362566\nAg C N O\n6 6 6 6\ndirect\n0.937014 0.192259 0.850666 Ag\n0.850666 0.937014 0.192259 Ag\n0.192259 0.850666 0.937014 Ag\n0.062986 0.807741 0.149334 Ag\n0.149334 0.062986 0.807741 Ag\n0.807741 0.149334 0.062986 Ag\n0.587598 0.962514 0.698575 C\n0.698575 0.587598 0.962514 C\n0.962514 0.698575 0.587598 C\n0.412402 0.037486 0.301425 C\n0.301425 0.412402 0.037486 C\n0.037486 0.301425 0.412402 C\n0.374294 0.806887 0.504428 N\n0.504428 0.374294 0.806887 N\n0.193113 0.495572 0.625706 N\n0.625706 0.193113 0.495572 N\n0.495572 0.625706 0.193113 N\n0.806887 0.504428 0.374294 N\n0.354820 0.697090 0.847285 O\n0.302910 0.152715 0.645180 O\n0.645180 0.302910 0.152715 O\n0.847285 0.354820 0.697090 O\n0.697090 0.847285 0.354820 O\n0.152715 0.645180 0.302910 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 3.3758945291456963,
"density_atomic": 0.0542552278145377,
"volume": 442.35368584277137,
"volume_molar": 11.099650674374953,
"formula_full": "Ag6 C6 N6 O6",
"formula_reduced": "AgCNO",
"formula_anonymous": "ABCD",
"energy": -150.43600037000002,
"energy_per_atom": -6.268166682083334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.14800037,
"band_gap": 2.8161,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004842,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.076000Z",
"spacegroup": 148
},
{
"id": "mp-1214975",
"created_at": "2022-09-04T14:40:38.675189Z",
"structure_string": "Ag6 C4 N4 O12\n1.0\n12.576884 0.000000 0.000000\n0.000000 5.201978 0.000000\n0.000000 4.343397 6.066995\nAg C N O\n6 4 4 12\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.396503 0.601730 0.169077 Ag\n0.603497 0.398270 0.830923 Ag\n0.896503 0.398270 0.330923 Ag\n0.103497 0.601730 0.669077 Ag\n0.987116 0.574499 0.040311 C\n0.012884 0.425501 0.959689 C\n0.487116 0.425501 0.459689 C\n0.512884 0.574499 0.540311 C\n0.673840 0.690786 0.065027 N\n0.326160 0.309214 0.934973 N\n0.173840 0.309214 0.434973 N\n0.826160 0.690786 0.565027 N\n0.903357 0.864714 0.439039 O\n0.096643 0.135286 0.560961 O\n0.403357 0.135286 0.060961 O\n0.596643 0.864714 0.939039 O\n0.685672 0.417302 0.106844 O\n0.314328 0.582698 0.893156 O\n0.185672 0.582698 0.393156 O\n0.814328 0.417302 0.606844 O\n0.734920 0.788935 0.144523 O\n0.265080 0.211065 0.855477 O\n0.234920 0.211065 0.355477 O\n0.765080 0.788935 0.644523 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 3.9461233166272023,
"density_atomic": 0.06550254052053993,
"volume": 396.9311692856717,
"volume_molar": 9.193751436421937,
"formula_full": "Ag6 C4 N4 O12",
"formula_reduced": "Ag3C2(NO3)2",
"formula_anonymous": "A2B2C3D6",
"energy": -152.04253295,
"energy_per_atom": -5.847789728846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.79853295,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.673000Z",
"spacegroup": 14
},
{
"id": "mp-1229177",
"created_at": "2022-09-04T14:47:58.422806Z",
"structure_string": "Ag6 C3 O9\n1.0\n4.580044 -7.932869 0.000000\n4.580044 7.932869 0.000000\n0.000000 0.000000 3.408263\nAg C O\n6 3 9\ndirect\n0.665686 0.007291 0.500000 Ag\n0.341605 0.334314 0.500000 Ag\n0.992709 0.658395 0.500000 Ag\n0.664010 0.697301 0.000000 Ag\n0.033291 0.335990 0.000000 Ag\n0.302699 0.966709 0.000000 Ag\n0.000000 0.000000 0.500000 C\n0.333333 0.666667 0.500000 C\n0.666667 0.333333 0.000000 C\n0.946110 0.107319 0.500000 O\n0.161209 0.053890 0.500000 O\n0.892681 0.838791 0.500000 O\n0.388709 0.828105 0.500000 O\n0.171895 0.560604 0.500000 O\n0.439396 0.611291 0.500000 O\n0.502449 0.261085 0.000000 O\n0.758636 0.497551 0.000000 O\n0.738915 0.241364 0.000000 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ag",
"C",
"O"
],
"chemical_system": "Ag-C-O",
"density": 5.5464543455097735,
"density_atomic": 0.07267908928808517,
"volume": 247.6640829751134,
"volume_molar": 8.285933160402513,
"formula_full": "Ag6 C3 O9",
"formula_reduced": "Ag2CO3",
"formula_anonymous": "AB2C3",
"energy": -108.36080144,
"energy_per_atom": -6.020044524444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.17780144,
"band_gap": 0.4558,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020283,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.377000Z",
"spacegroup": 174
},
{
"id": "mp-562248",
"created_at": "2022-09-04T14:47:27.542243Z",
"structure_string": "Ag6 C2 S2 N6 O12\n1.0\n6.599131 0.000000 0.000000\n-0.075152 7.992926 0.000000\n-0.488520 -2.161204 7.824286\nAg C S N O\n6 2 2 6 12\ndirect\n0.449369 0.272655 0.142966 Ag\n0.550631 0.727345 0.857034 Ag\n0.000000 0.000000 0.500000 Ag\n0.027046 0.645003 0.824063 Ag\n0.972954 0.354997 0.175937 Ag\n0.500000 0.000000 0.500000 Ag\n0.269837 0.611217 0.435551 C\n0.730163 0.388783 0.564449 C\n0.723203 0.216410 0.398771 S\n0.276797 0.783590 0.601229 S\n0.683948 0.675640 0.212078 N\n0.316052 0.324360 0.787922 N\n0.741260 0.514456 0.681152 N\n0.829782 0.064042 0.867774 N\n0.258740 0.485544 0.318848 N\n0.170218 0.935958 0.132226 N\n0.759199 0.050364 0.005031 O\n0.277602 0.460562 0.904935 O\n0.932732 0.196280 0.863676 O\n0.722398 0.539438 0.095065 O\n0.203316 0.060658 0.268673 O\n0.240801 0.949636 0.994969 O\n0.576044 0.791179 0.170274 O\n0.067268 0.803720 0.136324 O\n0.750006 0.695149 0.364318 O\n0.249994 0.304851 0.635682 O\n0.796684 0.939342 0.731327 O\n0.423956 0.208821 0.829726 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Ag",
"C",
"S",
"N",
"O"
],
"chemical_system": "Ag-C-N-O-S",
"density": 4.069415546919816,
"density_atomic": 0.06784545708047482,
"volume": 412.70265106752584,
"volume_molar": 8.876262345549303,
"formula_full": "Ag6 C2 S2 N6 O12",
"formula_reduced": "Ag3CS(NO2)3",
"formula_anonymous": "ABC3D3E6",
"energy": -165.82215606,
"energy_per_atom": -5.922219859285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.57215606,
"band_gap": 2.103,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.912000Z",
"spacegroup": 2
},
{
"id": "mp-1229212",
"created_at": "2022-09-04T14:42:58.576643Z",
"structure_string": "Ag6 C2 N6 O12\n1.0\n11.706881 0.000000 0.000000\n0.000000 5.307792 0.000000\n0.000000 4.066361 6.320323\nAg C N O\n6 2 6 12\ndirect\n0.367837 0.170310 0.127528 Ag\n0.632163 0.170310 0.627528 Ag\n0.130843 0.824995 0.876336 Ag\n0.869157 0.824995 0.376336 Ag\n0.250732 0.506064 0.497904 Ag\n0.749268 0.506064 0.997904 Ag\n0.253760 0.897207 0.490224 C\n0.746240 0.897207 0.990224 C\n0.076211 0.174056 0.082936 N\n0.923789 0.174056 0.582936 N\n0.423541 0.825562 0.916782 N\n0.576459 0.825562 0.416782 N\n0.246625 0.103034 0.508723 N\n0.753375 0.103034 0.008723 N\n0.162142 0.298773 0.959784 O\n0.837858 0.298773 0.459784 O\n0.337887 0.700578 0.040525 O\n0.662113 0.700578 0.540525 O\n0.017123 0.318049 0.138424 O\n0.982877 0.318049 0.638424 O\n0.482467 0.681571 0.861189 O\n0.517533 0.681571 0.361189 O\n0.051831 0.903307 0.148160 O\n0.948169 0.903307 0.648160 O\n0.447986 0.096494 0.851485 O\n0.552014 0.096494 0.351485 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ag",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-N-O",
"density": 4.005212601417093,
"density_atomic": 0.0662031989577839,
"volume": 392.7302669555219,
"volume_molar": 9.096449801225114,
"formula_full": "Ag6 C2 N6 O12",
"formula_reduced": "Ag3C(NO2)3",
"formula_anonymous": "AB3C3D6",
"energy": -155.81301044,
"energy_per_atom": -5.992808093846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.56901044,
"band_gap": 2.5277000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.082000Z",
"spacegroup": 7
},
{
"id": "mp-1198516",
"created_at": "2022-09-04T14:44:49.327671Z",
"structure_string": "Ag6 C2 N2 Cl4 O20\n1.0\n4.865811 0.000000 0.000000\n0.000000 21.802933 0.000000\n-0.078252 0.000000 5.219808\nAg C N Cl O\n6 2 2 4 20\ndirect\n0.267363 0.241349 0.928217 Ag\n0.732637 0.741349 0.071783 Ag\n0.149300 0.133887 0.620115 Ag\n0.850700 0.633887 0.379885 Ag\n0.293012 0.365736 0.343911 Ag\n0.706988 0.865736 0.656089 Ag\n0.242057 0.231856 0.532904 C\n0.757943 0.731856 0.467096 C\n0.249064 0.257087 0.332783 N\n0.750936 0.757087 0.667217 N\n0.793199 0.379171 0.847161 Cl\n0.206801 0.879171 0.152839 Cl\n0.656486 0.105907 0.139177 Cl\n0.343514 0.605907 0.860823 Cl\n0.692132 0.438226 0.923519 O\n0.307868 0.938226 0.076481 O\n0.740478 0.368311 0.570196 O\n0.259522 0.868311 0.429804 O\n0.663865 0.330034 0.996772 O\n0.336135 0.830034 0.003228 O\n0.095406 0.374910 0.887283 O\n0.904594 0.874910 0.112717 O\n0.781554 0.048043 0.081093 O\n0.218446 0.548043 0.918907 O\n0.772570 0.155355 0.981737 O\n0.227430 0.655355 0.018263 O\n0.701853 0.121396 0.414961 O\n0.298147 0.621396 0.585039 O\n0.356467 0.104062 0.095227 O\n0.643533 0.604062 0.904773 O\n0.056908 0.006165 0.607838 O\n0.943092 0.506165 0.392162 O\n0.171587 0.481526 0.400300 O\n0.828413 0.981526 0.599700 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Ag",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "Ag-C-Cl-N-O",
"density": 3.481553644069474,
"density_atomic": 0.06139800110254021,
"volume": 553.7639563088858,
"volume_molar": 9.808366155019415,
"formula_full": "Ag6 C2 N2 Cl4 O20",
"formula_reduced": "Ag3CN(ClO5)2",
"formula_anonymous": "ABC2D3E10",
"energy": -158.13095247,
"energy_per_atom": -4.650910366764706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.18895247,
"band_gap": 1.3565999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0310627,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.020000Z",
"spacegroup": 4
},
{
"id": "mp-1183272",
"created_at": "2022-09-04T14:48:18.052732Z",
"structure_string": "Ag6 Br2\n1.0\n3.272696 -5.668477 0.000000\n3.272696 5.668477 0.000000\n0.000000 0.000000 4.722194\nAg Br\n6 2\ndirect\n0.147344 0.294689 0.250000 Ag\n0.705311 0.852656 0.250000 Ag\n0.147344 0.852656 0.250000 Ag\n0.852656 0.705311 0.750000 Ag\n0.294689 0.147344 0.750000 Ag\n0.852656 0.147344 0.750000 Ag\n0.333333 0.666667 0.750000 Br\n0.666667 0.333333 0.250000 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ag",
"Br"
],
"chemical_system": "Ag-Br",
"density": 7.648671575046948,
"density_atomic": 0.045660862611464986,
"volume": 175.204749592078,
"volume_molar": 13.188845798300578,
"formula_full": "Ag6 Br2",
"formula_reduced": "Ag3Br",
"formula_anonymous": "AB3",
"energy": -20.67503616,
"energy_per_atom": -2.58437952,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.60703616,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:07.153000Z",
"spacegroup": 194
},
{
"id": "mp-685586",
"created_at": "2022-09-04T14:45:55.050364Z",
"structure_string": "Ag6 Bi28 Br42\n1.0\n15.002858 0.000000 0.000000\n0.000000 13.022649 0.000000\n0.000000 4.355615 13.499308\nAg Bi Br\n6 28 42\ndirect\n0.841068 0.540920 0.617724 Ag\n0.158932 0.540920 0.617724 Ag\n0.347631 0.449922 0.390307 Ag\n0.652369 0.449922 0.390307 Ag\n0.336894 0.134027 0.378023 Ag\n0.663106 0.134027 0.378023 Ag\n0.000000 0.899619 0.930715 Bi\n0.814737 0.880681 0.612870 Bi\n0.185263 0.880681 0.612870 Bi\n0.824805 0.754522 0.970495 Bi\n0.175195 0.754522 0.970495 Bi\n0.000000 0.639653 0.919744 Bi\n0.324146 0.779498 0.393155 Bi\n0.675854 0.779498 0.393155 Bi\n0.892908 0.843668 0.140327 Bi\n0.107092 0.843668 0.140327 Bi\n0.500000 0.740630 0.024848 Bi\n0.000000 0.651637 0.282902 Bi\n0.397954 0.457659 0.859492 Bi\n0.602046 0.457659 0.859492 Bi\n0.105256 0.555235 0.136620 Bi\n0.894744 0.555235 0.136620 Bi\n0.500000 0.345785 0.720431 Bi\n0.000000 0.264540 0.979148 Bi\n0.396834 0.145212 0.856612 Bi\n0.603166 0.145212 0.856612 Bi\n0.174544 0.226293 0.599446 Bi\n0.825456 0.226293 0.599446 Bi\n0.500000 0.361811 0.086714 Bi\n0.339287 0.245091 0.027417 Bi\n0.660713 0.245091 0.027417 Bi\n0.871325 0.189375 0.176112 Bi\n0.128675 0.189375 0.176112 Bi\n0.500000 0.088344 0.071756 Bi\n0.777610 0.997975 0.748496 Br\n0.222390 0.997975 0.748496 Br\n0.500000 0.015078 0.748359 Br\n0.360562 0.908413 0.535532 Br\n0.639438 0.908413 0.535532 Br\n0.000000 0.851476 0.694433 Br\n0.500000 0.658351 0.749370 Br\n0.500000 0.819990 0.302169 Br\n0.858911 0.764248 0.465054 Br\n0.141089 0.764248 0.465054 Br\n0.361603 0.895634 0.019916 Br\n0.638397 0.895634 0.019916 Br\n0.777658 0.682687 0.752337 Br\n0.222342 0.682687 0.752337 Br\n0.277555 0.665426 0.261730 Br\n0.722445 0.665426 0.261730 Br\n0.000000 0.530865 0.705745 Br\n0.346630 0.574721 0.535882 Br\n0.653370 0.574721 0.535882 Br\n0.862686 0.429694 0.968520 Br\n0.137314 0.429694 0.968520 Br\n0.357882 0.588250 0.025298 Br\n0.642118 0.588250 0.025298 Br\n0.858293 0.424222 0.461932 Br\n0.141707 0.424222 0.461932 Br\n0.500000 0.472129 0.288101 Br\n0.781194 0.327238 0.742116 Br\n0.218806 0.327238 0.742116 Br\n0.748865 0.326058 0.243385 Br\n0.251135 0.326058 0.243385 Br\n0.863413 0.093619 0.990129 Br\n0.136587 0.093619 0.990129 Br\n0.353463 0.241548 0.528158 Br\n0.646537 0.241548 0.528158 Br\n0.000000 0.178000 0.697779 Br\n0.000000 0.295351 0.266871 Br\n0.500000 0.156791 0.286902 Br\n0.855367 0.090992 0.464507 Br\n0.144633 0.090992 0.464507 Br\n0.000000 0.014343 0.255202 Br\n0.270065 0.990864 0.254964 Br\n0.729935 0.990864 0.254964 Br\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br",
"density": 6.204467438859882,
"density_atomic": 0.028815671999999515,
"volume": 2637.453674514385,
"volume_molar": 20.89883852092744,
"formula_full": "Ag6 Bi28 Br42",
"formula_reduced": "Ag3(Bi2Br3)7",
"formula_anonymous": "A3B14C21",
"energy": -251.87883291,
"energy_per_atom": -3.314195169868421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.45083291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.135000Z",
"spacegroup": 6
}
]
}