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=-volume_molar&page=1754",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume_molar&page=1752",
"results": [
{
"id": "mp-558415",
"created_at": "2022-09-04T14:39:43.644725Z",
"structure_string": "K12 Cu4 P8 S28\n1.0\n6.763115 0.000000 0.000000\n0.000000 13.411860 0.000000\n0.000000 2.293236 15.192396\nK Cu P S\n12 4 8 28\ndirect\n0.220672 0.903520 0.472523 K\n0.779328 0.096480 0.527477 K\n0.760454 0.816698 0.300908 K\n0.260454 0.683302 0.699092 K\n0.348875 0.842812 0.071811 K\n0.279328 0.403520 0.472523 K\n0.848875 0.657188 0.928189 K\n0.651125 0.157188 0.928189 K\n0.239546 0.183302 0.699092 K\n0.720672 0.596480 0.527477 K\n0.151125 0.342812 0.071811 K\n0.739546 0.316698 0.300908 K\n0.480193 0.433771 0.803609 Cu\n0.980193 0.066229 0.196391 Cu\n0.519807 0.566229 0.196391 Cu\n0.019807 0.933771 0.803609 Cu\n0.740062 0.331604 0.646453 P\n0.999553 0.386045 0.837389 P\n0.500447 0.886045 0.837389 P\n0.499553 0.113955 0.162611 P\n0.240062 0.168396 0.353547 P\n0.759938 0.831604 0.646453 P\n0.259938 0.668396 0.353547 P\n0.000447 0.613955 0.162611 P\n0.517805 0.913178 0.693861 S\n0.193835 0.647173 0.484171 S\n0.482195 0.086822 0.306139 S\n0.735870 0.416989 0.894395 S\n0.235870 0.083011 0.105605 S\n0.736400 0.187630 0.705406 S\n0.980444 0.093367 0.335302 S\n0.806165 0.352827 0.515829 S\n0.306165 0.147173 0.484171 S\n0.519556 0.593367 0.335302 S\n0.263600 0.812370 0.294594 S\n0.600556 0.252655 0.117493 S\n0.797805 0.505536 0.141397 S\n0.702195 0.005536 0.141397 S\n0.899444 0.752655 0.117493 S\n0.264130 0.583011 0.105605 S\n0.236400 0.312370 0.294594 S\n0.399444 0.747345 0.882507 S\n0.100556 0.247345 0.882507 S\n0.017805 0.586822 0.306139 S\n0.763600 0.687630 0.705406 S\n0.480444 0.406633 0.664698 S\n0.764130 0.916989 0.894395 S\n0.982195 0.413178 0.693861 S\n0.019556 0.906633 0.664698 S\n0.202195 0.494464 0.858603 S\n0.693835 0.852827 0.515829 S\n0.297805 0.994464 0.858603 S\n",
"nsites": 52,
"nelements": 4,
"elements": [
"K",
"Cu",
"P",
"S"
],
"chemical_system": "Cu-K-P-S",
"density": 2.2521132771365475,
"density_atomic": 0.037734733570457986,
"volume": 1378.0407354117401,
"volume_molar": 15.959144772429646,
"formula_full": "K12 Cu4 P8 S28",
"formula_reduced": "K3CuP2S7",
"formula_anonymous": "AB2C3D7",
"energy": -241.89191316,
"energy_per_atom": -4.651767560769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.80791316000003,
"band_gap": 1.9684,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003021,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.288000Z",
"spacegroup": 14
},
{
"id": "mp-662499",
"created_at": "2022-09-04T14:48:15.210777Z",
"structure_string": "Rb6 Mg6 Cl18\n1.0\n3.592001 -6.221529 0.000000\n3.592001 6.221529 0.000000\n0.000000 0.000000 17.787439\nRb Mg Cl\n6 6 18\ndirect\n0.666667 0.333333 0.589438 Rb\n0.666667 0.333333 0.910562 Rb\n0.333333 0.666667 0.410562 Rb\n0.000000 0.000000 0.250000 Rb\n0.000000 0.000000 0.750000 Rb\n0.333333 0.666667 0.089438 Rb\n0.333333 0.666667 0.660067 Mg\n0.666667 0.333333 0.339933 Mg\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.839933 Mg\n0.666667 0.333333 0.160067 Mg\n0.000000 0.000000 0.000000 Mg\n0.834002 0.165998 0.418405 Cl\n0.508611 0.017223 0.250000 Cl\n0.331996 0.165998 0.418405 Cl\n0.508611 0.491389 0.250000 Cl\n0.668004 0.834002 0.918405 Cl\n0.834002 0.165998 0.081595 Cl\n0.331996 0.165998 0.081595 Cl\n0.165998 0.331996 0.581595 Cl\n0.165998 0.834002 0.581595 Cl\n0.834002 0.668004 0.081595 Cl\n0.165998 0.331996 0.918405 Cl\n0.165998 0.834002 0.918405 Cl\n0.668004 0.834002 0.581595 Cl\n0.491389 0.982777 0.750000 Cl\n0.834002 0.668004 0.418405 Cl\n0.982777 0.491389 0.250000 Cl\n0.491389 0.508611 0.750000 Cl\n0.017223 0.508611 0.750000 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg-Rb",
"density": 2.708582200301263,
"density_atomic": 0.03773499150953634,
"volume": 795.0180667834107,
"volume_molar": 15.959035683042602,
"formula_full": "Rb6 Mg6 Cl18",
"formula_reduced": "RbMgCl3",
"formula_anonymous": "ABC3",
"energy": -117.12795976,
"energy_per_atom": -3.9042653253333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.07595976,
"band_gap": 4.792800000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009204,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:38.281000Z",
"spacegroup": 194
},
{
"id": "mp-1226943",
"created_at": "2022-09-04T14:40:33.221074Z",
"structure_string": "Ce4 Zn3 Sb8\n1.0\n4.462051 0.000000 0.000000\n0.000000 4.462051 0.000000\n0.000000 0.000000 19.964593\nCe Zn Sb\n4 3 8\ndirect\n0.500000 0.000000 0.124774 Ce\n0.500000 0.000000 0.629419 Ce\n0.000000 0.500000 0.370581 Ce\n0.000000 0.500000 0.875226 Ce\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.411476 Sb\n0.500000 0.000000 0.920198 Sb\n0.000000 0.500000 0.079802 Sb\n0.000000 0.500000 0.588524 Sb\n0.000000 0.000000 0.248697 Sb\n0.000000 0.000000 0.751303 Sb\n0.500000 0.500000 0.248366 Sb\n0.500000 0.500000 0.751634 Sb\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Sb"
],
"chemical_system": "Ce-Sb-Zn",
"density": 7.230347765024079,
"density_atomic": 0.03773651049137088,
"volume": 397.4930327336444,
"volume_molar": 15.958393294941958,
"formula_full": "Ce4 Zn3 Sb8",
"formula_reduced": "Ce4Zn3Sb8",
"formula_anonymous": "A3B4C8",
"energy": -71.45304235,
"energy_per_atom": -4.7635361566666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.91704235,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.569831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.232000Z",
"spacegroup": 115
},
{
"id": "mp-1187932",
"created_at": "2022-09-04T14:46:56.360392Z",
"structure_string": "Yb2 Tl1 Ga1\n1.0\n0.000000 3.756257 3.756257\n3.756257 0.000000 3.756257\n3.756257 3.756257 0.000000\nYb Tl Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Tl",
"Ga"
],
"chemical_system": "Ga-Tl-Yb",
"density": 9.715728587920843,
"density_atomic": 0.037736715669233575,
"volume": 105.99756574102622,
"volume_molar": 15.958306527745343,
"formula_full": "Yb2 Tl1 Ga1",
"formula_reduced": "Yb2TlGa",
"formula_anonymous": "ABC2",
"energy": -10.40734621,
"energy_per_atom": -2.6018365525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.40734621,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.24e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.879000Z",
"spacegroup": 225
},
{
"id": "mp-865952",
"created_at": "2022-09-04T14:46:09.517675Z",
"structure_string": "Ac1 Tl1 Au2\n1.0\n0.000000 3.756255 3.756255\n3.756255 0.000000 3.756255\n3.756255 3.756255 0.000000\nAc Tl Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 Tl\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Tl",
"Au"
],
"chemical_system": "Ac-Au-Tl",
"density": 12.929281603094049,
"density_atomic": 0.03773677594746671,
"volume": 105.99739642751655,
"volume_molar": 15.958281037000644,
"formula_full": "Ac1 Tl1 Au2",
"formula_reduced": "AcTlAu2",
"formula_anonymous": "ABC2",
"energy": -15.41500908,
"energy_per_atom": -3.85375227,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.41500908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.217000Z",
"spacegroup": 225
},
{
"id": "mp-569626",
"created_at": "2022-09-04T14:48:28.585134Z",
"structure_string": "Mg2 Cl4\n1.0\n2.123746 -3.917877 0.000000\n2.123746 3.917877 0.000000\n0.000000 0.000000 9.554263\nMg Cl\n2 4\ndirect\n0.020244 0.055318 0.250000 Mg\n0.055318 0.020244 0.750000 Mg\n0.357079 0.729677 0.250000 Cl\n0.070841 0.070841 0.500000 Cl\n0.070841 0.070841 0.000000 Cl\n0.729677 0.357079 0.750000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cl"
],
"chemical_system": "Cl-Mg",
"density": 1.988775040330091,
"density_atomic": 0.03773728845505678,
"volume": 158.99393532594956,
"volume_molar": 15.958064308653412,
"formula_full": "Mg2 Cl4",
"formula_reduced": "MgCl2",
"formula_anonymous": "AB2",
"energy": -22.99302538,
"energy_per_atom": -3.8321708966666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.53702538,
"band_gap": 4.1739,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:42.998000Z",
"spacegroup": 40
},
{
"id": "mp-1094404",
"created_at": "2022-09-04T14:47:24.951351Z",
"structure_string": "Y2 Mg4\n1.0\n2.825103 4.991639 0.000000\n-2.825103 4.991639 0.000000\n0.000000 3.295459 5.637312\nY Mg\n2 4\ndirect\n0.087349 0.912651 0.250000 Y\n0.912651 0.087349 0.750000 Y\n0.249908 0.417112 0.747686 Mg\n0.582888 0.750092 0.752315 Mg\n0.417112 0.249908 0.247686 Mg\n0.750092 0.582888 0.252314 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.8724490078392497,
"density_atomic": 0.03773737847042699,
"volume": 158.99355607602467,
"volume_molar": 15.958026243712897,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy": -19.35032883,
"energy_per_atom": -3.2250548049999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.35032883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014737,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.531000Z",
"spacegroup": 15
},
{
"id": "mp-1076916",
"created_at": "2022-09-04T14:41:28.347727Z",
"structure_string": "Gd1 Bi1 Pd1\n1.0\n0.000000 3.412708 3.412708\n3.412708 0.000000 3.412708\n3.412708 3.412708 0.000000\nGd Bi Pd\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Gd",
"Bi",
"Pd"
],
"chemical_system": "Bi-Gd-Pd",
"density": 9.873286513071307,
"density_atomic": 0.03773930234655837,
"volume": 79.49272544709838,
"volume_molar": 15.957212734615347,
"formula_full": "Gd1 Bi1 Pd1",
"formula_reduced": "GdBiPd",
"formula_anonymous": "ABC",
"energy": -25.96044998,
"energy_per_atom": -8.653483326666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.96044998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.567000Z",
"spacegroup": 216
},
{
"id": "mp-33320",
"created_at": "2022-09-04T14:45:20.505492Z",
"structure_string": "Ca4 U4 S8\n1.0\n-3.903114 3.903114 6.957290\n3.903114 -3.903114 6.957290\n3.903114 3.903114 -6.957290\nCa U S\n4 4 8\ndirect\n0.270431 0.625000 0.145431 Ca\n0.479569 0.125000 0.854569 Ca\n0.375000 0.520431 0.645431 Ca\n0.875000 0.729569 0.354569 Ca\n0.375000 0.024122 0.149122 U\n0.875000 0.225878 0.850878 U\n0.774122 0.625000 0.649122 U\n0.975878 0.125000 0.350878 U\n0.105743 0.101017 0.706794 S\n0.601051 0.894257 0.995274 S\n0.394223 0.398949 0.293206 S\n0.355777 0.148983 0.504726 S\n0.851017 0.355743 0.206794 S\n0.644257 0.851051 0.495274 S\n0.148949 0.644223 0.793206 S\n0.898983 0.605777 0.004726 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"U",
"S"
],
"chemical_system": "Ca-S-U",
"density": 5.361834008144944,
"density_atomic": 0.037739610423624365,
"volume": 423.9577414923252,
"volume_molar": 15.95708247224047,
"formula_full": "Ca4 U4 S8",
"formula_reduced": "CaUS2",
"formula_anonymous": "ABC2",
"energy": -109.05288961,
"energy_per_atom": -6.815805600625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.02888961,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.8402741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.369000Z",
"spacegroup": 122
},
{
"id": "mp-867315",
"created_at": "2022-09-04T14:39:49.497611Z",
"structure_string": "Ca1 Gd1 Hg2\n1.0\n0.000000 3.756092 3.756092\n3.756092 0.000000 3.756092\n3.756092 3.756092 0.000000\nCa Gd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Gd",
"Hg"
],
"chemical_system": "Ca-Gd-Hg",
"density": 9.377355879497761,
"density_atomic": 0.03774168905509337,
"volume": 105.98359798261828,
"volume_molar": 15.956203632564483,
"formula_full": "Ca1 Gd1 Hg2",
"formula_reduced": "CaGdHg2",
"formula_anonymous": "ABC2",
"energy": -18.83683673,
"energy_per_atom": -4.7092091825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.83683673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.2244317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.258000Z",
"spacegroup": 225
},
{
"id": "mp-1102830",
"created_at": "2022-09-04T14:39:13.636874Z",
"structure_string": "Zr2 Tl4 S6\n1.0\n3.831384 0.000000 0.000000\n0.000000 7.991285 0.000000\n0.000000 1.291187 10.384420\nZr Tl S\n2 4 6\ndirect\n0.250000 0.589379 0.335856 Zr\n0.750000 0.410621 0.664144 Zr\n0.250000 0.937083 0.660491 Tl\n0.750000 0.062917 0.339509 Tl\n0.250000 0.251048 0.999851 Tl\n0.750000 0.748952 0.000149 Tl\n0.250000 0.862506 0.193724 S\n0.750000 0.137494 0.806276 S\n0.250000 0.542973 0.785016 S\n0.750000 0.457027 0.214984 S\n0.250000 0.312611 0.516201 S\n0.750000 0.687389 0.483799 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Tl",
"S"
],
"chemical_system": "S-Tl-Zr",
"density": 6.227389490701528,
"density_atomic": 0.03774215555690302,
"volume": 317.94686400218615,
"volume_molar": 15.956006410181182,
"formula_full": "Zr2 Tl4 S6",
"formula_reduced": "ZrTl2S3",
"formula_anonymous": "AB2C3",
"energy": -66.1590981,
"energy_per_atom": -5.513258175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.1410981,
"band_gap": 0.8937000000000008,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.742000Z",
"spacegroup": 11
},
{
"id": "mp-1179722",
"created_at": "2022-09-04T14:44:13.895394Z",
"structure_string": "Rb2 La2 Cl8 O8\n1.0\n7.288086 0.000000 0.000000\n0.000000 8.240925 0.000000\n0.000000 0.000000 8.822938\nRb La Cl O\n2 2 8 8\ndirect\n0.000000 0.595440 0.500000 Rb\n0.500000 0.404560 0.000000 Rb\n0.500000 0.090838 0.500000 La\n0.000000 0.909162 0.000000 La\n0.337101 0.911900 0.791443 Cl\n0.662899 0.911900 0.208557 Cl\n0.162899 0.088100 0.291443 Cl\n0.837101 0.088100 0.708557 Cl\n0.350654 0.343593 0.663387 Cl\n0.649346 0.343593 0.336613 Cl\n0.149346 0.656407 0.163387 Cl\n0.850654 0.656407 0.836613 Cl\n0.261494 0.932471 0.613211 O\n0.738506 0.932471 0.386789 O\n0.238506 0.067529 0.113211 O\n0.761494 0.067529 0.886789 O\n0.443595 0.677699 0.447656 O\n0.556405 0.677699 0.552344 O\n0.056405 0.322301 0.947656 O\n0.943595 0.322301 0.052344 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"La",
"Cl",
"O"
],
"chemical_system": "Cl-La-O-Rb",
"density": 2.6960598445647066,
"density_atomic": 0.03774220923060748,
"volume": 529.9106864094423,
"volume_molar": 15.955983718929403,
"formula_full": "Rb2 La2 Cl8 O8",
"formula_reduced": "RbLa(ClO)4",
"formula_anonymous": "ABC4D4",
"energy": -90.40610133,
"energy_per_atom": -4.5203050665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.11810133,
"band_gap": 1.4981,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0268816,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.855000Z",
"spacegroup": 18
}
]
}