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=is_magnetic&page=18",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=16",
"results": [
{
"id": "mp-1112940",
"created_at": "2022-09-04T14:44:02.205387Z",
"structure_string": "Cs2 Ag1 Sb1 Cl6\n1.0\n0.000000 5.425801 5.425801\n5.425801 0.000000 5.425801\n5.425801 5.425801 0.000000\nCs Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.753603 0.246397 0.246397 Cl\n0.246397 0.246397 0.753603 Cl\n0.246397 0.753603 0.753603 Cl\n0.246397 0.753603 0.246397 Cl\n0.753603 0.246397 0.753603 Cl\n0.753603 0.753603 0.246397 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Sb",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-Sb",
"density": 3.680926402161937,
"density_atomic": 0.03130245648844117,
"volume": 319.4637457188904,
"volume_molar": 19.238556444360054,
"formula_full": "Cs2 Ag1 Sb1 Cl6",
"formula_reduced": "Cs2AgSbCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.39041657,
"energy_per_atom": -3.639041657,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.70641657,
"band_gap": 1.6624,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007433,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.835000Z",
"spacegroup": 225
},
{
"id": "mp-1192642",
"created_at": "2022-09-04T14:44:02.389475Z",
"structure_string": "Tm16 In6 Co2\n1.0\n5.124446 -8.875801 0.000000\n5.124446 8.875801 0.000000\n0.000000 0.000000 6.906682\nTm In Co\n16 6 2\ndirect\n0.533847 0.067695 0.513197 Tm\n0.932305 0.466153 0.513197 Tm\n0.533847 0.466153 0.513197 Tm\n0.466153 0.932305 0.013197 Tm\n0.067695 0.533847 0.013197 Tm\n0.466153 0.533847 0.013197 Tm\n0.178479 0.356958 0.721996 Tm\n0.643042 0.821521 0.721996 Tm\n0.178479 0.821521 0.721996 Tm\n0.821521 0.643042 0.221996 Tm\n0.356958 0.178479 0.221996 Tm\n0.821521 0.178479 0.221996 Tm\n0.666667 0.333333 0.902295 Tm\n0.333333 0.666667 0.402295 Tm\n0.000000 0.000000 0.500771 Tm\n0.000000 0.000000 0.000771 Tm\n0.836939 0.673878 0.760313 In\n0.326122 0.163061 0.760313 In\n0.836939 0.163061 0.760313 In\n0.163061 0.326122 0.260313 In\n0.673878 0.836939 0.260313 In\n0.163061 0.836939 0.260313 In\n0.666667 0.333333 0.289418 Co\n0.333333 0.666667 0.789418 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"In",
"Co"
],
"chemical_system": "Co-In-Tm",
"density": 9.276151879041729,
"density_atomic": 0.03819946741660595,
"volume": 628.2810107862078,
"volume_molar": 15.76498618245676,
"formula_full": "Tm16 In6 Co2",
"formula_reduced": "Tm8In3Co",
"formula_anonymous": "AB3C8",
"energy": -110.76346909,
"energy_per_atom": -4.615144545416666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.76346909,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.526000Z",
"spacegroup": 186
},
{
"id": "mp-1112432",
"created_at": "2022-09-04T14:44:02.401843Z",
"structure_string": "K2 As1 Au1 I6\n1.0\n0.000000 5.836838 5.836838\n5.836838 0.000000 5.836838\n5.836838 5.836838 0.000000\nK As Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 Au\n0.752113 0.247887 0.247887 I\n0.247887 0.247887 0.752113 I\n0.247887 0.752113 0.752113 I\n0.247887 0.752113 0.247887 I\n0.752113 0.247887 0.752113 I\n0.752113 0.752113 0.247887 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"As",
"Au",
"I"
],
"chemical_system": "As-Au-I-K",
"density": 4.640878277400085,
"density_atomic": 0.025144157310435275,
"volume": 397.7067068320409,
"volume_molar": 23.950457697386042,
"formula_full": "K2 As1 Au1 I6",
"formula_reduced": "K2AsAuI6",
"formula_anonymous": "ABC2D6",
"energy": -27.7027385,
"energy_per_atom": -2.7702738499999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.4287385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020927,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.569000Z",
"spacegroup": 225
},
{
"id": "mp-1044716",
"created_at": "2022-09-04T14:44:02.417838Z",
"structure_string": "Sb4 O8\n1.0\n6.450199 -3.261789 0.000000\n6.450199 3.261789 0.000000\n4.800751 0.000000 5.403436\nSb O\n4 8\ndirect\n0.233730 0.233730 0.233730 Sb\n0.629862 0.107107 0.629862 Sb\n0.629862 0.629862 0.107107 Sb\n0.107107 0.629862 0.629862 Sb\n0.849636 0.350562 0.350562 O\n0.350562 0.350562 0.849636 O\n0.350562 0.849636 0.350562 O\n0.410120 0.410120 0.410120 O\n0.853736 0.853736 0.853736 O\n0.885676 0.436030 0.885676 O\n0.885676 0.885676 0.436030 O\n0.436030 0.885676 0.885676 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.491796627722597,
"density_atomic": 0.052777918857561536,
"volume": 227.36781327785815,
"volume_molar": 11.410341465438826,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy": -74.35894092,
"energy_per_atom": -6.19657841,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.86294092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.836000Z",
"spacegroup": 160
},
{
"id": "mp-1520812",
"created_at": "2022-09-04T14:44:03.013941Z",
"structure_string": "Ba8 Tb4 Zr4 O24\n1.0\n8.715325 0.000000 0.000000\n0.000000 8.715325 0.000000\n-0.000000 0.000000 8.715325\nBa Tb Zr O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Ba\n-0.000000 -0.000000 -0.000000 Ba\n-0.000000 -0.000000 0.500000 Ba\n-0.000000 0.500000 -0.000000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.500000 0.500000 -0.000000 Ba\n0.500000 -0.000000 0.500000 Ba\n-0.000000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Tb\n0.750000 0.250000 0.250000 Tb\n0.250000 0.750000 0.250000 Tb\n0.250000 0.250000 0.750000 Tb\n0.250000 0.250000 0.250000 Zr\n0.250000 0.750000 0.750000 Zr\n0.750000 0.250000 0.750000 Zr\n0.750000 0.750000 0.250000 Zr\n0.233834 0.267361 0.491896 O\n0.233834 0.732639 0.508104 O\n0.766166 0.267361 0.508104 O\n0.766166 0.732639 0.491896 O\n0.267361 0.491896 0.233834 O\n0.732639 0.508104 0.233834 O\n0.267361 0.508104 0.766166 O\n0.732639 0.491896 0.766166 O\n0.491896 0.233834 0.267361 O\n0.508104 0.233834 0.732639 O\n0.508104 0.766166 0.267361 O\n0.491896 0.766166 0.732639 O\n0.266166 0.232639 0.008104 O\n0.266166 0.767361 0.991896 O\n0.733834 0.232639 0.991896 O\n0.733834 0.767361 0.008104 O\n0.232639 0.008104 0.266166 O\n0.767361 0.991896 0.266166 O\n0.232639 0.991896 0.733834 O\n0.767361 0.008104 0.733834 O\n0.008104 0.266166 0.232639 O\n0.991896 0.266166 0.767361 O\n0.991896 0.733834 0.232639 O\n0.008104 0.733834 0.767361 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Tb",
"Zr",
"O"
],
"chemical_system": "Ba-O-Tb-Zr",
"density": 6.228878527417165,
"density_atomic": 0.060423966475519286,
"volume": 661.9889810809749,
"volume_molar": 9.96647706409652,
"formula_full": "Ba8 Tb4 Zr4 O24",
"formula_reduced": "Ba2TbZrO6",
"formula_anonymous": "ABC2D6",
"energy": -322.13148945,
"energy_per_atom": -8.05328723625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -305.64348945,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.9999992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.227000Z",
"spacegroup": 201
},
{
"id": "mp-861109",
"created_at": "2022-09-04T14:44:02.642379Z",
"structure_string": "Sm4 Y12 O24\n1.0\n9.327792 0.000000 0.000000\n-3.111838 8.806270 0.000000\n-3.109129 -4.400721 7.629429\nSm Y O\n4 12 24\ndirect\n0.999459 0.999466 0.498641 Sm\n0.999847 0.501874 0.000117 Sm\n0.500127 0.500229 0.502050 Sm\n0.251520 0.218583 0.969121 Sm\n0.500601 0.999171 0.000004 Y\n0.748475 0.782115 0.031599 Y\n0.468914 0.753096 0.218629 Y\n0.029851 0.249744 0.282047 Y\n0.716641 0.967446 0.750830 Y\n0.218821 0.470739 0.750120 Y\n0.250488 0.718744 0.469259 Y\n0.749520 0.281264 0.530741 Y\n0.782189 0.530956 0.249893 Y\n0.282319 0.031497 0.249881 Y\n0.968410 0.749123 0.717596 Y\n0.532831 0.248372 0.781941 Y\n0.268119 0.512664 0.542330 O\n0.468830 0.730824 0.957000 O\n0.229644 0.953172 0.969080 O\n0.725141 0.755740 0.267534 O\n0.009900 0.540699 0.767039 O\n0.511931 0.743922 0.470136 O\n0.028782 0.987000 0.254996 O\n0.232036 0.775379 0.244966 O\n0.456709 0.967983 0.730221 O\n0.244669 0.475332 0.012562 O\n0.958037 0.231353 0.488524 O\n0.743807 0.731892 0.774826 O\n0.543464 0.032027 0.269789 O\n0.041762 0.768464 0.511395 O\n0.755103 0.529694 0.987501 O\n0.256365 0.268344 0.230596 O\n0.966871 0.008357 0.740114 O\n0.768870 0.225494 0.756922 O\n0.989027 0.458476 0.231272 O\n0.489121 0.255468 0.530103 O\n0.275333 0.245510 0.728809 O\n0.769994 0.042866 0.031622 O\n0.730875 0.488369 0.457587 O\n0.535602 0.268551 0.042610 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sm",
"Y",
"O"
],
"chemical_system": "O-Sm-Y",
"density": 5.437836782528832,
"density_atomic": 0.06382592323311473,
"volume": 626.7046048657365,
"volume_molar": 9.435258363604115,
"formula_full": "Sm4 Y12 O24",
"formula_reduced": "SmY3O6",
"formula_anonymous": "AB3C6",
"energy": -372.73281434,
"energy_per_atom": -9.3183203585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -356.24481434000006,
"band_gap": 3.9851,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.505000Z",
"spacegroup": 1
},
{
"id": "mp-962065",
"created_at": "2022-09-04T14:44:01.577861Z",
"structure_string": "Sr1 Ca1 Sn1\n1.0\n0.000000 3.850910 3.850910\n3.850910 0.000000 3.850910\n3.850910 3.850910 0.000000\nSr Ca Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn-Sr",
"density": 3.582480202918828,
"density_atomic": 0.02626643622692379,
"volume": 114.21419998061712,
"volume_molar": 22.92713296913552,
"formula_full": "Sr1 Ca1 Sn1",
"formula_reduced": "SrCaSn",
"formula_anonymous": "ABC",
"energy": -7.872298050000001,
"energy_per_atom": -2.6240993500000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.872298050000001,
"band_gap": 0.1581999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.442000Z",
"spacegroup": 216
},
{
"id": "mp-1234572",
"created_at": "2022-09-04T14:44:02.369909Z",
"structure_string": "K4 Ho2 Mg1 Nb10 O30\n1.0\n0.000000 0.000000 3.970240\n12.900859 0.103737 0.000000\n0.102247 12.931027 0.000000\nK Ho Mg Nb O\n4 2 1 10 30\ndirect\n0.500000 0.178639 0.663047 K\n0.500000 0.838666 0.300116 K\n0.500000 0.324563 0.154628 K\n0.500000 0.654584 0.819788 K\n0.500000 0.024359 0.971972 Ho\n0.500000 0.465932 0.475074 Ho\n0.500000 0.873506 0.607129 Mg\n-0.000000 0.009972 0.493048 Nb\n0.000000 0.499075 0.991698 Nb\n-0.000000 0.058138 0.196020 Nb\n0.000000 0.925768 0.792836 Nb\n-0.000000 0.783109 0.068917 Nb\n-0.000000 0.429309 0.700316 Nb\n-0.000000 0.222094 0.913026 Nb\n0.000000 0.570500 0.278081 Nb\n-0.000000 0.696553 0.572445 Nb\n0.000000 0.277438 0.402792 Nb\n0.500000 0.069129 0.186767 O\n0.500000 0.934855 0.809290 O\n0.500000 0.792361 0.070774 O\n0.500000 0.428028 0.675701 O\n0.500000 0.193284 0.917826 O\n0.500000 0.568198 0.319517 O\n0.500000 0.719503 0.587551 O\n0.500000 0.299813 0.427038 O\n-0.000000 0.706462 0.214943 O\n-0.000000 0.290909 0.778465 O\n-0.000000 0.795556 0.724730 O\n-0.000000 0.211597 0.276621 O\n0.500000 0.995635 0.509744 O\n0.500000 0.496311 0.003127 O\n0.000000 0.113069 0.050647 O\n0.000000 0.892356 0.954146 O\n0.000000 0.917377 0.161630 O\n-0.000000 0.394244 0.549420 O\n-0.000000 0.070572 0.863049 O\n-0.000000 0.610417 0.456262 O\n0.000000 0.582361 0.668118 O\n-0.000000 0.427031 0.358966 O\n-0.000000 0.006019 0.347471 O\n-0.000000 0.996912 0.659285 O\n0.000000 0.655601 0.992362 O\n-0.000000 0.490422 0.845639 O\n-0.000000 0.336380 0.003755 O\n-0.000000 0.497199 0.156967 O\n-0.000000 0.847959 0.519251 O\n-0.000000 0.161568 0.504800 O\n",
"nsites": 47,
"nelements": 5,
"elements": [
"K",
"Ho",
"Mg",
"Nb",
"O"
],
"chemical_system": "Ho-K-Mg-Nb-O",
"density": 4.8130469139929275,
"density_atomic": 0.07096710093889863,
"volume": 662.2787091227826,
"volume_molar": 8.48582044401807,
"formula_full": "K4 Ho2 Mg1 Nb10 O30",
"formula_reduced": "K4Ho2MgNb10O30",
"formula_anonymous": "AB2C4D10E30",
"energy": -407.56682632,
"energy_per_atom": -8.671634602553192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.95682632000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.041000Z",
"spacegroup": 6
},
{
"id": "mp-978967",
"created_at": "2022-09-04T14:44:01.363889Z",
"structure_string": "Sr1 Dy3\n1.0\n-2.594174 2.594174 5.214209\n2.594174 -2.594174 5.214209\n2.594174 2.594174 -5.214209\nSr Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Dy"
],
"chemical_system": "Dy-Sr",
"density": 6.8039472383180035,
"density_atomic": 0.02849793295793861,
"volume": 140.36105727049681,
"volume_molar": 21.131851102633828,
"formula_full": "Sr1 Dy3",
"formula_reduced": "SrDy3",
"formula_anonymous": "AB3",
"energy": -14.66126503,
"energy_per_atom": -3.6653162575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.66126503,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0183532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.031000Z",
"spacegroup": 139
},
{
"id": "mp-1047314",
"created_at": "2022-09-04T14:44:02.419557Z",
"structure_string": "Zn2 Sn1 W1 O6\n1.0\n5.664454 0.000000 0.000000\n-2.367233 -5.262339 0.000000\n-2.361669 1.007173 -5.173620\nZn Sn W O\n2 1 1 6\ndirect\n0.664620 0.398989 0.780836 Zn\n0.671444 0.854907 0.439395 Zn\n0.039452 0.520385 0.483212 Sn\n0.998496 0.991552 0.004534 W\n0.998008 0.669891 0.123006 O\n0.784512 0.148444 0.745071 O\n0.347629 0.243228 0.191800 O\n0.798469 0.010564 0.195971 O\n0.056589 0.882428 0.722007 O\n0.478967 0.608841 0.622417 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"Sn",
"W",
"O"
],
"chemical_system": "O-Sn-W-Zn",
"density": 5.699968109358105,
"density_atomic": 0.06484382080458738,
"volume": 154.21669907663045,
"volume_molar": 9.287146693820306,
"formula_full": "Zn2 Sn1 W1 O6",
"formula_reduced": "Zn2SnWO6",
"formula_anonymous": "ABC2D6",
"energy": -66.32832816999999,
"energy_per_atom": -6.632832816999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.76832817,
"band_gap": 2.1633000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.543000Z",
"spacegroup": 1
},
{
"id": "mp-1103784",
"created_at": "2022-09-04T14:44:01.601296Z",
"structure_string": "Tb2 Ni8 As4\n1.0\n7.252468 0.000000 0.000000\n0.000000 7.252468 0.000000\n0.000000 0.000000 3.775438\nTb Ni As\n2 8 4\ndirect\n0.500000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.589116 0.153731 0.500000 Ni\n0.410884 0.846269 0.500000 Ni\n0.089116 0.346269 0.000000 Ni\n0.910884 0.653731 0.000000 Ni\n0.153731 0.589116 0.500000 Ni\n0.846269 0.410884 0.500000 Ni\n0.346269 0.089116 0.000000 Ni\n0.653731 0.910884 0.000000 Ni\n0.717222 0.717222 0.500000 As\n0.282778 0.282778 0.500000 As\n0.217222 0.782778 0.000000 As\n0.782778 0.217222 0.000000 As\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"As"
],
"chemical_system": "As-Ni-Tb",
"density": 9.090197850237846,
"density_atomic": 0.07049998920324703,
"volume": 198.58159069555148,
"volume_molar": 8.542044939380837,
"formula_full": "Tb2 Ni8 As4",
"formula_reduced": "Tb(Ni2As)2",
"formula_anonymous": "AB2C4",
"energy": -82.95737642,
"energy_per_atom": -5.9255268871428575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.95737642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015923,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:37.013000Z",
"spacegroup": 136
},
{
"id": "mp-1022104",
"created_at": "2022-09-04T14:44:03.158743Z",
"structure_string": "Rb2 Mg12 Cu2\n1.0\n5.262948 0.000000 0.000000\n0.000000 6.525798 0.000000\n0.000000 0.000000 11.740533\nRb Mg Cu\n2 12 2\ndirect\n0.500000 0.500000 0.167415 Rb\n0.500000 0.000000 0.667415 Rb\n0.500000 0.254600 0.417844 Mg\n0.500000 0.745400 0.417844 Mg\n0.000000 0.774527 0.081667 Mg\n0.000000 0.225473 0.081667 Mg\n0.000000 0.000000 0.326457 Mg\n0.000000 0.500000 0.346155 Mg\n0.500000 0.754600 0.917844 Mg\n0.500000 0.245400 0.917844 Mg\n0.000000 0.274527 0.581667 Mg\n0.000000 0.725473 0.581667 Mg\n0.000000 0.500000 0.826457 Mg\n0.000000 0.000000 0.846155 Mg\n0.500000 0.000000 0.160944 Cu\n0.500000 0.500000 0.660944 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Rb",
"density": 2.4284019551540568,
"density_atomic": 0.03967979900096456,
"volume": 403.2278490022357,
"volume_molar": 15.176842906521808,
"formula_full": "Rb2 Mg12 Cu2",
"formula_reduced": "RbMg6Cu",
"formula_anonymous": "ABC6",
"energy": -24.53462008,
"energy_per_atom": -1.533413755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.53462008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.261000Z",
"spacegroup": 38
}
]
}