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=12140",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=12138",
"results": [
{
"id": "mp-27554",
"created_at": "2022-09-04T14:45:11.732273Z",
"structure_string": "Ag24 Au8 S16\n1.0\n9.874385 0.000000 0.000000\n0.000000 9.874385 0.000000\n0.000000 0.000000 9.874385\nAg Au S\n24 8 16\ndirect\n0.251497 0.384222 0.000940 Ag\n0.499060 0.748503 0.884222 Ag\n0.751497 0.115778 0.999060 Ag\n0.000940 0.251497 0.384222 Ag\n0.248503 0.615778 0.500940 Ag\n0.748503 0.884222 0.499060 Ag\n0.500940 0.248503 0.615778 Ag\n0.884222 0.499060 0.748503 Ag\n0.615778 0.500940 0.248503 Ag\n0.115778 0.999060 0.751497 Ag\n0.750940 0.634222 0.998503 Ag\n0.749060 0.365778 0.498503 Ag\n0.501497 0.249060 0.134222 Ag\n0.498503 0.749060 0.365778 Ag\n0.865778 0.001497 0.250940 Ag\n0.365778 0.498503 0.749060 Ag\n0.249060 0.134222 0.501497 Ag\n0.998503 0.750940 0.634222 Ag\n0.001497 0.250940 0.865778 Ag\n0.134222 0.501497 0.249060 Ag\n0.634222 0.998503 0.750940 Ag\n0.384222 0.000940 0.251497 Ag\n0.999060 0.751497 0.115778 Ag\n0.250940 0.865778 0.001497 Ag\n0.622056 0.622056 0.622056 Au\n0.872056 0.627944 0.372056 Au\n0.627944 0.372056 0.872056 Au\n0.372056 0.872056 0.627944 Au\n0.122056 0.877944 0.377944 Au\n0.877944 0.377944 0.122056 Au\n0.377944 0.122056 0.877944 Au\n0.127944 0.127944 0.127944 Au\n0.760829 0.760829 0.760829 S\n0.010829 0.489171 0.510829 S\n0.489171 0.510829 0.010829 S\n0.510829 0.010829 0.489171 S\n0.260829 0.739171 0.239171 S\n0.739171 0.239171 0.260829 S\n0.239171 0.260829 0.739171 S\n0.989171 0.989171 0.989171 S\n0.766471 0.233529 0.733529 S\n0.233529 0.733529 0.766471 S\n0.983529 0.016471 0.516471 S\n0.016471 0.516471 0.983529 S\n0.516471 0.983529 0.016471 S\n0.266471 0.266471 0.266471 S\n0.483529 0.483529 0.483529 S\n0.733529 0.766471 0.233529 S\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 8.067572516653907,
"density_atomic": 0.04985526954223026,
"volume": 962.7868917515582,
"volume_molar": 12.079246216689098,
"formula_full": "Ag24 Au8 S16",
"formula_reduced": "Ag3AuS2",
"formula_anonymous": "AB2C3",
"energy": -170.31218524,
"energy_per_atom": -3.548170525833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.26418524,
"band_gap": 0.2442999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002168,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:52.554000Z",
"spacegroup": 213
},
{
"id": "mp-675633",
"created_at": "2022-09-04T14:45:06.261560Z",
"structure_string": "Ag4 Au1 S2\n1.0\n3.975012 0.000000 0.000000\n0.000000 5.170800 0.000000\n0.000000 0.451818 6.881864\nAg Au S\n4 1 2\ndirect\n0.500000 0.292109 0.866900 Ag\n0.000000 0.696786 0.729730 Ag\n0.000000 0.303214 0.270270 Ag\n0.500000 0.707891 0.133100 Ag\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 8.13036619981891,
"density_atomic": 0.04948752908505147,
"volume": 141.44977794242845,
"volume_molar": 12.169006760572104,
"formula_full": "Ag4 Au1 S2",
"formula_reduced": "Ag4AuS2",
"formula_anonymous": "AB2C4",
"energy": -23.04677039,
"energy_per_atom": -3.2923957699999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.04077039,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017636,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.400000Z",
"spacegroup": 10
},
{
"id": "mp-1247860",
"created_at": "2022-09-04T14:47:41.299749Z",
"structure_string": "Ag5 Au3 S4\n1.0\n5.828090 0.270868 0.447065\n0.190029 4.589111 1.180080\n0.945301 2.108266 12.790995\nAg Au S\n5 3 4\ndirect\n0.121033 0.545087 0.418336 Ag\n0.367738 0.918638 0.811527 Ag\n0.901413 0.485244 0.001054 Ag\n0.634902 0.407914 0.485452 Ag\n0.739797 0.032515 0.325447 Ag\n0.722887 0.236864 0.858525 Au\n0.776098 0.819788 0.142735 Au\n0.731561 0.754096 0.604919 Au\n0.025510 0.003981 0.969513 S\n0.036809 0.995154 0.468328 S\n0.510631 0.552502 0.294767 S\n0.431619 0.498218 0.744398 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 6.420473009132529,
"density_atomic": 0.036867671512691796,
"volume": 325.48841593830974,
"volume_molar": 16.33447547108274,
"formula_full": "Ag5 Au3 S4",
"formula_reduced": "Ag5Au3S4",
"formula_anonymous": "A3B4C5",
"energy": -42.3891154,
"energy_per_atom": -3.5324262833333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.3771154,
"band_gap": 1.0997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020068,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.413000Z",
"spacegroup": 1
},
{
"id": "mp-34982",
"created_at": "2022-09-04T14:46:09.409874Z",
"structure_string": "Ag3 Au1 S2\n1.0\n4.737184 0.000000 0.000000\n0.765560 4.811589 0.000000\n0.510039 0.070429 5.822238\nAg Au S\n3 1 2\ndirect\n0.816351 0.544508 0.043537 Ag\n0.437588 0.985143 0.268457 Ag\n0.011717 0.283947 0.602534 Ag\n0.302150 0.734042 0.740635 Au\n0.015264 0.011173 0.023582 S\n0.541931 0.441187 0.446256 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 7.316179092704849,
"density_atomic": 0.045211875063171175,
"volume": 132.7084973055563,
"volume_molar": 13.319820847035679,
"formula_full": "Ag3 Au1 S2",
"formula_reduced": "Ag3AuS2",
"formula_anonymous": "AB2C3",
"energy": -21.19398593,
"energy_per_atom": -3.5323309883333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.18798593,
"band_gap": 0.3932000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.02e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:18.088000Z",
"spacegroup": 1
},
{
"id": "mp-34460",
"created_at": "2022-09-04T14:40:36.144456Z",
"structure_string": "Ag3 Au1 S2\n1.0\n3.714833 -3.975117 0.000000\n3.714833 3.975117 0.000000\n-0.538805 0.000000 5.413984\nAg Au S\n3 1 2\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.500000 Au\n0.763192 0.763192 0.763192 S\n0.236808 0.236808 0.236808 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 6.072211434500265,
"density_atomic": 0.0375245139922193,
"volume": 159.89547529500578,
"volume_molar": 16.048550985227124,
"formula_full": "Ag3 Au1 S2",
"formula_reduced": "Ag3AuS2",
"formula_anonymous": "AB2C3",
"energy": -21.44336164,
"energy_per_atom": -3.5738936066666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.43736164,
"band_gap": 1.5633999999999997,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.490000Z",
"spacegroup": 166
},
{
"id": "mp-37920",
"created_at": "2022-09-04T14:45:54.063794Z",
"structure_string": "Ag2 Au2 S4\n1.0\n4.890420 0.000000 0.000000\n0.000000 5.579938 0.000000\n0.000000 0.000000 7.933298\nAg Au S\n2 2 4\ndirect\n0.000000 0.000000 0.250000 Ag\n0.000000 0.000000 0.750000 Ag\n0.500000 0.500000 0.000000 Au\n0.500000 0.500000 0.500000 Au\n0.674057 0.884823 0.000000 S\n0.674057 0.115177 0.500000 S\n0.325943 0.884823 0.500000 S\n0.325943 0.115177 0.000000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 5.660237988889108,
"density_atomic": 0.03695393466249259,
"volume": 216.48574294092205,
"volume_molar": 16.296345206542615,
"formula_full": "Ag2 Au2 S4",
"formula_reduced": "AgAuS2",
"formula_anonymous": "ABC2",
"energy": -30.2805002,
"energy_per_atom": -3.785062525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.2685002,
"band_gap": 0.2197,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.970000Z",
"spacegroup": 49
},
{
"id": "mp-1247859",
"created_at": "2022-09-04T14:41:30.228788Z",
"structure_string": "Ag5 Au3 S4\n1.0\n4.557605 -0.843664 0.075099\n-0.841998 4.737048 0.114810\n0.020932 -0.010592 13.624704\nAg Au S\n5 3 4\ndirect\n0.921406 0.309610 0.243237 Ag\n0.296991 0.036381 0.739985 Ag\n0.475942 0.893201 0.396142 Ag\n0.655418 0.270948 0.014319 Ag\n0.862458 0.477080 0.449965 Ag\n0.771150 0.773879 0.139234 Au\n0.741125 0.796598 0.620360 Au\n0.769596 0.788846 0.879853 Au\n0.069504 0.051570 0.006249 S\n0.028229 0.032360 0.480490 S\n0.479925 0.494392 0.273435 S\n0.428256 0.575135 0.756731 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Au",
"S"
],
"chemical_system": "Ag-Au-S",
"density": 7.346254701665376,
"density_atomic": 0.042183699675136535,
"volume": 284.4700700131551,
"volume_molar": 14.275990030218962,
"formula_full": "Ag5 Au3 S4",
"formula_reduced": "Ag5Au3S4",
"formula_anonymous": "A3B4C5",
"energy": -43.04444781,
"energy_per_atom": -3.5870373175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.03244781,
"band_gap": 0.9308999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018163,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.773000Z",
"spacegroup": 1
},
{
"id": "mp-1186806",
"created_at": "2022-09-04T14:45:17.364710Z",
"structure_string": "Pu1 Ag1 Au2\n1.0\n0.000000 3.505207 3.505207\n3.505207 0.000000 3.505207\n3.505207 3.505207 0.000000\nPu Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Ag\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pu",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Pu",
"density": 14.37809169662521,
"density_atomic": 0.04643965499948557,
"volume": 86.13328415218221,
"volume_molar": 12.967669032137964,
"formula_full": "Pu1 Ag1 Au2",
"formula_reduced": "PuAgAu2",
"formula_anonymous": "ABC2",
"energy": -22.87203552,
"energy_per_atom": -5.71800888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.87203552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1118216,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.281000Z",
"spacegroup": 225
},
{
"id": "mp-1186739",
"created_at": "2022-09-04T14:39:40.475436Z",
"structure_string": "Pr1 Ag1 Au2\n1.0\n0.000000 3.565397 3.565397\n3.565397 0.000000 3.565397\n3.565397 3.565397 0.000000\nPr Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Pr",
"density": 11.773613937908623,
"density_atomic": 0.04412719394705958,
"volume": 90.64705099533165,
"volume_molar": 13.647232514319633,
"formula_full": "Pr1 Ag1 Au2",
"formula_reduced": "PrAgAu2",
"formula_anonymous": "ABC2",
"energy": -16.40577734,
"energy_per_atom": -4.101444335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.40577734,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018355,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.275000Z",
"spacegroup": 225
},
{
"id": "mp-1186438",
"created_at": "2022-09-04T14:48:14.184444Z",
"structure_string": "Pm2 Ag1 Au1\n1.0\n0.000000 3.720998 3.720998\n3.720998 0.000000 3.720998\n3.720998 3.720998 0.000000\nPm Ag Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Pm",
"density": 9.585993668138677,
"density_atomic": 0.038819656296150015,
"volume": 103.04058257199729,
"volume_molar": 15.513122306024265,
"formula_full": "Pm2 Ag1 Au1",
"formula_reduced": "Pm2AgAu",
"formula_anonymous": "ABC2",
"energy": -17.74336799,
"energy_per_atom": -4.4358419975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.74336799,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.015000Z",
"spacegroup": 225
},
{
"id": "mp-862872",
"created_at": "2022-09-04T14:41:55.452454Z",
"structure_string": "Pm1 Ag1 Au2\n1.0\n0.000000 3.529508 3.529508\n3.529508 0.000000 3.529508\n3.529508 3.529508 0.000000\nPm Ag Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Ag",
"Au"
],
"chemical_system": "Ag-Au-Pm",
"density": 12.213707065024744,
"density_atomic": 0.04548701980106524,
"volume": 87.93717454987733,
"volume_molar": 13.239251079401273,
"formula_full": "Pm1 Ag1 Au2",
"formula_reduced": "PmAgAu2",
"formula_anonymous": "ABC2",
"energy": -16.45920527,
"energy_per_atom": -4.1148013175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.45920527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.699000Z",
"spacegroup": 225
},
{
"id": "mp-1096329",
"created_at": "2022-09-04T14:41:11.272961Z",
"structure_string": "Ag2 Pd1 Au1\n1.0\n-5.298592 5.582214 7.875646\n5.298592 -5.582214 7.875646\n5.298592 5.582214 -7.875646\nAg Pd Au\n2 1 1\ndirect\n0.000000 0.251149 0.251149 Ag\n0.000000 0.748851 0.748851 Ag\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ag",
"Pd",
"Au"
],
"chemical_system": "Ag-Au-Pd",
"density": 0.9251373251805958,
"density_atomic": 0.004292861251911021,
"volume": 931.7794741722319,
"volume_molar": 140.2826787685991,
"formula_full": "Ag2 Pd1 Au1",
"formula_reduced": "Ag2PdAu",
"formula_anonymous": "ABC2",
"energy": -7.34292507,
"energy_per_atom": -1.8357312675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.34292507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8189102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.909000Z",
"spacegroup": 71
}
]
}