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=-chemical_system&page=66",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=64",
"results": [
{
"id": "mp-9561",
"created_at": "2022-09-04T14:45:37.851402Z",
"structure_string": "V1 S2\n1.0\n1.596943 -2.765986 0.000000\n1.596943 2.765986 0.000000\n0.000000 0.000000 6.537552\nV S\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.666667 0.333333 0.775798 S\n0.333333 0.666667 0.224202 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.3085090518000313,
"density_atomic": 0.051944157908498635,
"volume": 57.75432927961985,
"volume_molar": 11.593490014042006,
"formula_full": "V1 S2",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -20.91146405,
"energy_per_atom": -6.970488016666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.90546405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5882249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.275000Z",
"spacegroup": 164
},
{
"id": "mp-1376600",
"created_at": "2022-09-04T14:43:15.560224Z",
"structure_string": "V4 S10\n1.0\n4.334212 0.000000 0.000000\n0.000000 6.511436 0.000000\n0.000000 0.000000 13.865840\nV S\n4 10\ndirect\n0.000000 0.400631 0.649698 V\n0.500000 0.599369 0.850302 V\n0.500000 0.599369 0.149698 V\n0.000000 0.400631 0.350302 V\n0.500000 0.525118 0.679600 S\n0.000000 0.474882 0.820400 S\n0.000000 0.474882 0.179600 S\n0.500000 0.525118 0.320400 S\n0.000000 0.091415 0.358146 S\n0.500000 0.908585 0.141854 S\n0.500000 0.908585 0.858146 S\n0.500000 0.466235 0.000000 S\n0.000000 0.533765 0.500000 S\n0.000000 0.091415 0.641854 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 2.2253171761394,
"density_atomic": 0.035776258895578464,
"volume": 391.3209606645104,
"volume_molar": 16.83278505328646,
"formula_full": "V4 S10",
"formula_reduced": "V2S5",
"formula_anonymous": "A2B5",
"energy": -89.72464419,
"energy_per_atom": -6.408903156428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.69464419,
"band_gap": 0.4599999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005034,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.084000Z",
"spacegroup": 59
},
{
"id": "mp-1405126",
"created_at": "2022-09-04T14:46:25.717428Z",
"structure_string": "V4 S8\n1.0\n0.000000 4.688340 4.688340\n4.688340 0.000000 4.688340\n4.688340 4.688340 0.000000\nV S\n4 8\ndirect\n0.625000 0.625000 0.125000 V\n0.625000 0.125000 0.625000 V\n0.125000 0.625000 0.625000 V\n0.625000 0.625000 0.625000 V\n0.876715 0.876715 0.876715 S\n0.880146 0.373285 0.373285 S\n0.373285 0.373285 0.880146 S\n0.373285 0.880146 0.373285 S\n0.373285 0.373285 0.373285 S\n0.369854 0.876715 0.876715 S\n0.876715 0.369854 0.876715 S\n0.876715 0.876715 0.369854 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 3.708425591551651,
"density_atomic": 0.058222915973185366,
"volume": 206.1044143774354,
"volume_molar": 10.343248288652365,
"formula_full": "V4 S8",
"formula_reduced": "VS2",
"formula_anonymous": "AB2",
"energy": -82.78841007,
"energy_per_atom": -6.8990341724999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.76441007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0579124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.706000Z",
"spacegroup": 227
},
{
"id": "mp-555283",
"created_at": "2022-09-04T14:42:10.876182Z",
"structure_string": "V24 S8\n1.0\n9.333672 0.000000 0.000000\n0.000000 9.333672 0.000000\n0.000000 0.000000 4.636272\nV S\n24 8\ndirect\n0.589951 0.089951 0.500000 V\n0.910049 0.410049 0.000000 V\n0.297748 0.797748 0.000000 V\n0.202252 0.702252 0.500000 V\n0.853155 0.000000 0.750000 V\n0.146845 0.000000 0.750000 V\n0.910049 0.589951 0.500000 V\n0.589951 0.910049 0.000000 V\n0.702252 0.797748 0.500000 V\n0.797748 0.297748 0.500000 V\n0.353155 0.500000 0.750000 V\n0.089951 0.589951 0.000000 V\n0.646845 0.500000 0.750000 V\n0.410049 0.910049 0.500000 V\n0.000000 0.146845 0.250000 V\n0.089951 0.410049 0.500000 V\n0.202252 0.297748 0.000000 V\n0.410049 0.089951 0.000000 V\n0.500000 0.353155 0.250000 V\n0.000000 0.853155 0.250000 V\n0.702252 0.202252 0.000000 V\n0.797748 0.702252 0.000000 V\n0.500000 0.646845 0.250000 V\n0.297748 0.202252 0.500000 V\n0.209564 0.000000 0.250000 S\n0.790436 0.000000 0.250000 S\n0.709564 0.500000 0.250000 S\n0.290436 0.500000 0.250000 S\n0.500000 0.290436 0.750000 S\n0.000000 0.209564 0.750000 S\n0.500000 0.709564 0.750000 S\n0.000000 0.790436 0.750000 S\n",
"nsites": 32,
"nelements": 2,
"elements": [
"V",
"S"
],
"chemical_system": "S-V",
"density": 6.08103293044792,
"density_atomic": 0.07922750894130395,
"volume": 403.9001153463924,
"volume_molar": 7.60107296123816,
"formula_full": "V24 S8",
"formula_reduced": "V3S",
"formula_anonymous": "AB3",
"energy": -272.59786219,
"energy_per_atom": -8.5186831934375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.57386219,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009796,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.529000Z",
"spacegroup": 133
},
{
"id": "mp-1215176",
"created_at": "2022-09-04T14:42:39.595864Z",
"structure_string": "Zr1 U1 S2\n1.0\n6.157110 -1.889355 0.000000\n6.157110 1.889355 0.000000\n5.577348 0.000000 3.220692\nZr U S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 U\n0.247575 0.247575 0.247575 S\n0.752425 0.752425 0.752425 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 8.717559416632806,
"density_atomic": 0.05338144446465005,
"volume": 74.93240469820664,
"volume_molar": 11.281337214447143,
"formula_full": "Zr1 U1 S2",
"formula_reduced": "ZrUS2",
"formula_anonymous": "ABC2",
"energy": -34.76758296,
"energy_per_atom": -8.69189574,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.76158296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.97018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05Z",
"spacegroup": 166
},
{
"id": "mp-1197354",
"created_at": "2022-09-04T14:39:16.788626Z",
"structure_string": "Zr4 U8 S20\n1.0\n7.250090 0.000000 0.000000\n0.000000 7.773576 0.000000\n0.000000 0.000000 11.449489\nZr U S\n4 8 20\ndirect\n0.081070 0.750000 0.493903 Zr\n0.418930 0.750000 0.993903 Zr\n0.918930 0.250000 0.506097 Zr\n0.581070 0.250000 0.006097 Zr\n0.529522 0.499436 0.321013 U\n0.970478 0.000564 0.821013 U\n0.470478 0.999436 0.678987 U\n0.029522 0.500564 0.178987 U\n0.470478 0.500564 0.678987 U\n0.029522 0.999436 0.178987 U\n0.529522 0.000564 0.321013 U\n0.970478 0.499436 0.821013 U\n0.833910 0.959095 0.591663 S\n0.666090 0.540905 0.091663 S\n0.166090 0.459095 0.408337 S\n0.333910 0.040905 0.908337 S\n0.166090 0.040905 0.408337 S\n0.333910 0.459095 0.908337 S\n0.833910 0.540905 0.591663 S\n0.666090 0.959095 0.091663 S\n0.835853 0.750000 0.315486 S\n0.664147 0.750000 0.815486 S\n0.164147 0.250000 0.684514 S\n0.335853 0.250000 0.184514 S\n0.455085 0.750000 0.498223 S\n0.044915 0.750000 0.998223 S\n0.544915 0.250000 0.501777 S\n0.955085 0.250000 0.001777 S\n0.188803 0.750000 0.711943 S\n0.311197 0.750000 0.211943 S\n0.811197 0.250000 0.288057 S\n0.688803 0.250000 0.788057 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 7.489546113079223,
"density_atomic": 0.04959063021103692,
"volume": 645.2831888568752,
"volume_molar": 12.14370685424302,
"formula_full": "Zr4 U8 S20",
"formula_reduced": "ZrU2S5",
"formula_anonymous": "AB2C5",
"energy": -264.37067428,
"energy_per_atom": -8.26158357125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.31067428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.5690711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.040000Z",
"spacegroup": 62
},
{
"id": "mp-1216014",
"created_at": "2022-09-04T14:46:39.178172Z",
"structure_string": "Zr2 U6 S12\n1.0\n0.000000 3.699273 0.000000\n0.000000 0.000000 10.506100\n10.391046 0.000000 0.000000\nZr U S\n2 6 12\ndirect\n0.750000 0.472818 0.692577 Zr\n0.750000 0.027182 0.192577 Zr\n0.250000 0.507894 0.311040 U\n0.250000 0.992106 0.811041 U\n0.250000 0.178879 0.485259 U\n0.250000 0.321121 0.985259 U\n0.750000 0.814274 0.511550 U\n0.750000 0.685726 0.011550 U\n0.250000 0.293879 0.724200 S\n0.250000 0.206121 0.224200 S\n0.750000 0.696619 0.277623 S\n0.750000 0.803381 0.777623 S\n0.250000 0.622468 0.558578 S\n0.250000 0.877532 0.058578 S\n0.750000 0.370888 0.451800 S\n0.750000 0.129112 0.951800 S\n0.750000 0.053652 0.623639 S\n0.750000 0.446348 0.123639 S\n0.250000 0.946449 0.363732 S\n0.250000 0.553551 0.863732 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"U",
"S"
],
"chemical_system": "S-U-Zr",
"density": 8.204690494403662,
"density_atomic": 0.049523669353843024,
"volume": 403.84729687740725,
"volume_molar": 12.160126336706274,
"formula_full": "Zr2 U6 S12",
"formula_reduced": "Zr(US2)3",
"formula_anonymous": "AB3C6",
"energy": -169.50594139999998,
"energy_per_atom": -8.47529707,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.46994139999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.09076,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.252000Z",
"spacegroup": 26
},
{
"id": "mp-683986",
"created_at": "2022-09-04T14:42:38.393959Z",
"structure_string": "Yb11 U4 S22\n1.0\n1.987817 19.487612 0.000000\n-1.987817 19.487612 0.000000\n0.000000 0.268844 11.426444\nYb U S\n11 4 22\ndirect\n0.537032 0.537032 0.771964 Yb\n0.735997 0.735997 0.863612 Yb\n0.369066 0.369066 0.145197 Yb\n0.931759 0.931759 0.854465 Yb\n0.342320 0.342320 0.816200 Yb\n0.630934 0.630934 0.854803 Yb\n0.657680 0.657680 0.183800 Yb\n0.000000 0.000000 0.500000 Yb\n0.068241 0.068241 0.145535 Yb\n0.264003 0.264003 0.136388 Yb\n0.462968 0.462968 0.228036 Yb\n0.898611 0.898611 0.505373 U\n0.198681 0.198681 0.563662 U\n0.801319 0.801319 0.436338 U\n0.101389 0.101389 0.494627 U\n0.742938 0.742938 0.608206 S\n0.556903 0.556903 0.994444 S\n0.351405 0.351405 0.418576 S\n0.812874 0.812874 0.212761 S\n0.991447 0.991447 0.731993 S\n0.448077 0.448077 0.469535 S\n0.008553 0.008553 0.268007 S\n0.168531 0.168531 0.366303 S\n0.648595 0.648595 0.581424 S\n0.401857 0.401857 0.678438 S\n0.866300 0.866300 0.964970 S\n0.280144 0.280144 0.904167 S\n0.719856 0.719856 0.095833 S\n0.598143 0.598143 0.321562 S\n0.831469 0.831469 0.633697 S\n0.187126 0.187126 0.787239 S\n0.092455 0.092455 0.726529 S\n0.443097 0.443097 0.005556 S\n0.133700 0.133700 0.035030 S\n0.907545 0.907545 0.273471 S\n0.257062 0.257062 0.391794 S\n0.551923 0.551923 0.530465 S\n",
"nsites": 37,
"nelements": 3,
"elements": [
"Yb",
"U",
"S"
],
"chemical_system": "S-U-Yb",
"density": 6.679488462105461,
"density_atomic": 0.04179512305720353,
"volume": 885.270751550591,
"volume_molar": 14.40871642310445,
"formula_full": "Yb11 U4 S22",
"formula_reduced": "Yb11(U2S11)2",
"formula_anonymous": "A4B11C22",
"energy": -222.71470708,
"energy_per_atom": -6.019316407567568,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.64870708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2243733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.900000Z",
"spacegroup": 12
},
{
"id": "mp-1216101",
"created_at": "2022-09-04T14:42:38.369623Z",
"structure_string": "Y4 U1 S7\n1.0\n1.897769 6.434697 0.000000\n-1.897769 6.434697 0.000000\n0.000000 2.971745 11.259627\nY U S\n4 1 7\ndirect\n0.699919 0.699919 0.188207 Y\n0.301436 0.301436 0.811062 Y\n0.116263 0.116263 0.577175 Y\n0.999519 0.999519 0.998546 Y\n0.884993 0.884993 0.423434 U\n0.041258 0.041258 0.214751 S\n0.958125 0.958125 0.784801 S\n0.739976 0.739976 0.650221 S\n0.258109 0.258109 0.350116 S\n0.500183 0.500183 0.501114 S\n0.341225 0.341225 0.051120 S\n0.658992 0.658992 0.949453 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"U",
"S"
],
"chemical_system": "S-U-Y",
"density": 4.940079313126408,
"density_atomic": 0.043637091568575176,
"volume": 274.9954125870681,
"volume_molar": 13.80050902461333,
"formula_full": "Y4 U1 S7",
"formula_reduced": "Y4US7",
"formula_anonymous": "AB4C7",
"energy": -92.46228418,
"energy_per_atom": -7.705190348333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.94128418,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1585182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.176000Z",
"spacegroup": 8
},
{
"id": "mp-1215765",
"created_at": "2022-09-04T14:44:20.918739Z",
"structure_string": "Y1 U1 S2\n1.0\n6.625497 -1.921673 0.000000\n6.625497 1.921673 0.000000\n6.068131 0.000000 3.281437\nY U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 U\n0.250288 0.250288 0.250288 S\n0.749712 0.749712 0.749712 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"U",
"S"
],
"chemical_system": "S-U-Y",
"density": 7.7715163201836,
"density_atomic": 0.04787050125913299,
"volume": 83.55876572812905,
"volume_molar": 12.580066223666426,
"formula_full": "Y1 U1 S2",
"formula_reduced": "YUS2",
"formula_anonymous": "ABC2",
"energy": -33.71849551,
"energy_per_atom": -8.4296238775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.71249551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6271686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.432000Z",
"spacegroup": 166
},
{
"id": "mp-1188711",
"created_at": "2022-09-04T14:44:01.057708Z",
"structure_string": "U4 V4 S12\n1.0\n6.086498 0.000000 0.000000\n0.000000 6.982950 0.000000\n0.000000 0.000000 8.968122\nU V S\n4 4 12\ndirect\n0.555015 0.386415 0.750000 U\n0.444985 0.613585 0.250000 U\n0.055015 0.113585 0.250000 U\n0.944985 0.886415 0.750000 U\n0.000000 0.500000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.836452 0.184943 0.561156 S\n0.163548 0.815057 0.061156 S\n0.336452 0.315057 0.061156 S\n0.663548 0.684943 0.561156 S\n0.836452 0.184943 0.938844 S\n0.163548 0.815057 0.438844 S\n0.336452 0.315057 0.438844 S\n0.663548 0.684943 0.938844 S\n0.853902 0.456343 0.250000 S\n0.146098 0.543657 0.750000 S\n0.353902 0.043657 0.750000 S\n0.646098 0.956343 0.250000 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"V",
"S"
],
"chemical_system": "S-U-V",
"density": 6.71194583734017,
"density_atomic": 0.05247132994098165,
"volume": 381.16053133197624,
"volume_molar": 11.477011859187757,
"formula_full": "U4 V4 S12",
"formula_reduced": "UVS3",
"formula_anonymous": "ABC3",
"energy": -161.51801882,
"energy_per_atom": -8.075900941,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.48201882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9529741,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.972000Z",
"spacegroup": 62
},
{
"id": "mp-1193731",
"created_at": "2022-09-04T14:40:25.896390Z",
"structure_string": "U8 V1 S17\n1.0\n4.158890 6.566946 0.000000\n-4.158890 6.566946 0.000000\n0.000000 1.959410 10.089023\nU V S\n8 1 17\ndirect\n0.817154 0.299759 0.298197 U\n0.299759 0.817154 0.298197 U\n0.182846 0.700241 0.701803 U\n0.700241 0.182846 0.701803 U\n0.204155 0.204155 0.543359 U\n0.795845 0.795845 0.456641 U\n0.682884 0.682884 0.982328 U\n0.317116 0.317116 0.017672 U\n0.000000 0.000000 0.000000 V\n0.821965 0.432715 0.534151 S\n0.432715 0.821965 0.534151 S\n0.178035 0.567285 0.465849 S\n0.567285 0.178035 0.465849 S\n0.941942 0.323254 0.029285 S\n0.323254 0.941942 0.029285 S\n0.058058 0.676746 0.970715 S\n0.676746 0.058058 0.970715 S\n0.212386 0.212386 0.279066 S\n0.787614 0.787614 0.720934 S\n0.061381 0.061381 0.771995 S\n0.938619 0.938619 0.228005 S\n0.302582 0.302582 0.754699 S\n0.697418 0.697418 0.245301 S\n0.521124 0.521124 0.830490 S\n0.478876 0.478876 0.169510 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"U",
"V",
"S"
],
"chemical_system": "S-U-V",
"density": 7.533856993229484,
"density_atomic": 0.04717950297746706,
"volume": 551.0867719911676,
"volume_molar": 12.764315815018602,
"formula_full": "U8 V1 S17",
"formula_reduced": "U8VS17",
"formula_anonymous": "AB8C17",
"energy": -214.63928532999995,
"energy_per_atom": -8.255357128076922,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.08828533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0000003,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.182000Z",
"spacegroup": 12
}
]
}