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=-energy_per_atom&page=121",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=119",
"results": [
{
"id": "mp-1226953",
"created_at": "2022-09-04T14:47:57.274512Z",
"structure_string": "Cd3 Au1\n1.0\n1.534965 -2.827078 0.000000\n1.534965 2.827078 0.000000\n0.000000 0.000000 9.960507\nCd Au\n3 1\ndirect\n0.500000 0.500000 0.759215 Cd\n0.000000 0.000000 0.500000 Cd\n0.500000 0.500000 0.240785 Cd\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Au"
],
"chemical_system": "Au-Cd",
"density": 10.261359943527848,
"density_atomic": 0.046271361922649176,
"volume": 86.44655860112162,
"volume_molar": 13.014833602838578,
"formula_full": "Cd3 Au1",
"formula_reduced": "Cd3Au",
"formula_anonymous": "AB3",
"energy": -6.03696186,
"energy_per_atom": -1.509240465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.03696186,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078674,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.814000Z",
"spacegroup": 65
},
{
"id": "mp-1094327",
"created_at": "2022-09-04T14:46:59.404989Z",
"structure_string": "Sr3 Mg3\n1.0\n2.086391 -3.613735 0.000000\n2.086391 3.613735 0.000000\n0.000000 0.000000 16.008788\nSr Mg\n3 3\ndirect\n0.000000 0.000000 0.982611 Sr\n0.666667 0.333333 0.532245 Sr\n0.000000 0.000000 0.317265 Sr\n0.666667 0.333333 0.817711 Mg\n0.000000 0.000000 0.699301 Mg\n0.666667 0.333333 0.150868 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.309707600677022,
"density_atomic": 0.024854830092518532,
"volume": 241.40177090995442,
"volume_molar": 24.22925740221698,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.05731968,
"energy_per_atom": -1.5095532800000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.05731968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0096465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.681000Z",
"spacegroup": 156
},
{
"id": "mp-1094468",
"created_at": "2022-09-04T14:47:16.521989Z",
"structure_string": "Mg4 Zn2\n1.0\n2.553000 4.600931 0.000000\n-2.553000 4.600931 0.000000\n0.000000 3.303390 5.019440\nMg Zn\n4 2\ndirect\n0.246585 0.416125 0.751204 Mg\n0.583875 0.753415 0.748796 Mg\n0.416125 0.246585 0.251204 Mg\n0.753415 0.583875 0.248796 Mg\n0.082373 0.917627 0.250000 Zn\n0.917627 0.082373 0.750000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 3.2112529993831673,
"density_atomic": 0.050882618471326635,
"volume": 117.91845978565586,
"volume_molar": 11.835359383860316,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
"formula_anonymous": "AB2",
"energy": -9.061378,
"energy_per_atom": -1.5102296666666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.061378,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.687000Z",
"spacegroup": 15
},
{
"id": "mp-1026562",
"created_at": "2022-09-04T14:43:59.514932Z",
"structure_string": "Cs1 Mg14 B1\n1.0\n6.385074 -0.000000 0.000000\n-3.192537 5.529635 0.000000\n-0.000000 -0.000000 10.847401\nCs Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Cs\n0.171224 0.835611 0.125000 Mg\n0.155330 0.827664 0.625000 Mg\n0.664389 0.328776 0.125000 Mg\n0.672336 0.344670 0.625000 Mg\n0.664389 0.835611 0.125000 Mg\n0.672336 0.827664 0.625000 Mg\n0.329330 0.170670 0.408601 Mg\n0.329330 0.170670 0.841399 Mg\n0.329330 0.658662 0.408601 Mg\n0.329330 0.658662 0.841399 Mg\n0.841338 0.170670 0.408601 Mg\n0.841338 0.170670 0.841399 Mg\n0.833333 0.666667 0.366562 Mg\n0.833333 0.666667 0.883438 Mg\n0.166667 0.333333 0.625000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"B"
],
"chemical_system": "B-Cs-Mg",
"density": 2.098428648472002,
"density_atomic": 0.04177648411660275,
"volume": 382.9905828202834,
"volume_molar": 14.415144996863653,
"formula_full": "Cs1 Mg14 B1",
"formula_reduced": "CsMg14B",
"formula_anonymous": "ABC14",
"energy": -24.16448294,
"energy_per_atom": -1.51028018375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.16448294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.794000Z",
"spacegroup": 187
},
{
"id": "mp-1094286",
"created_at": "2022-09-04T14:40:56.364914Z",
"structure_string": "Sr3 Mg3\n1.0\n2.126466 -3.683148 0.000000\n2.126466 3.683148 0.000000\n0.000000 0.000000 15.813813\nSr Mg\n3 3\ndirect\n0.666667 0.333333 0.723069 Sr\n0.000000 0.000000 0.500000 Sr\n0.666667 0.333333 0.276931 Sr\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.888442 Mg\n0.000000 0.000000 0.111558 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.2508846889671776,
"density_atomic": 0.02422183504341931,
"volume": 247.71038153156383,
"volume_molar": 24.862446421606364,
"formula_full": "Sr3 Mg3",
"formula_reduced": "SrMg",
"formula_anonymous": "AB",
"energy": -9.06355751,
"energy_per_atom": -1.5105929183333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.06355751,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.177000Z",
"spacegroup": 187
},
{
"id": "mp-1016323",
"created_at": "2022-09-04T14:43:59.771449Z",
"structure_string": "Na1 Mg7\n1.0\n3.226928 -5.589202 0.000000\n3.226928 5.589202 0.000000\n0.000000 0.000000 5.299589\nNa Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 Na\n0.000711 0.500356 0.000000 Mg\n0.499644 0.500356 0.000000 Mg\n0.499644 0.999289 0.000000 Mg\n0.167370 0.334740 0.500000 Mg\n0.167370 0.832630 0.500000 Mg\n0.665260 0.832630 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Mg"
],
"chemical_system": "Mg-Na",
"density": 1.67755129473203,
"density_atomic": 0.041848386699028906,
"volume": 191.16627022053495,
"volume_molar": 14.390377347903224,
"formula_full": "Na1 Mg7",
"formula_reduced": "NaMg7",
"formula_anonymous": "AB7",
"energy": -12.09517115,
"energy_per_atom": -1.51189639375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.09517115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.259000Z",
"spacegroup": 187
},
{
"id": "mp-1094704",
"created_at": "2022-09-04T14:39:35.400251Z",
"structure_string": "Mg5 Cd1\n1.0\n1.599042 5.811799 0.000000\n-1.599042 5.811799 0.000000\n0.000000 1.863166 7.218220\nMg Cd\n5 1\ndirect\n0.000803 0.000803 0.000303 Mg\n0.332488 0.332488 0.332992 Mg\n0.945216 0.945216 0.609547 Mg\n0.666892 0.666892 0.666378 Mg\n0.277318 0.277318 0.945633 Mg\n0.610616 0.610616 0.278480 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 2.895446802835937,
"density_atomic": 0.044721945016916835,
"volume": 134.16232227221778,
"volume_molar": 13.465739823529644,
"formula_full": "Mg5 Cd1",
"formula_reduced": "Mg5Cd",
"formula_anonymous": "AB5",
"energy": -9.0717063,
"energy_per_atom": -1.5119510500000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.0717063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.057000Z",
"spacegroup": 8
},
{
"id": "mp-1095806",
"created_at": "2022-09-04T14:45:06.921529Z",
"structure_string": "Li1 In2 Ag1\n1.0\n-5.601968 5.762963 8.245435\n5.601968 -5.762963 8.245435\n5.601968 5.762963 -8.245435\nLi In Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.255771 0.255771 In\n0.000000 0.744229 0.744229 In\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Ag"
],
"chemical_system": "Ag-In-Li",
"density": 0.5371668653727991,
"density_atomic": 0.0037566434091703144,
"volume": 1064.78032762855,
"volume_molar": 160.30642528645112,
"formula_full": "Li1 In2 Ag1",
"formula_reduced": "LiIn2Ag",
"formula_anonymous": "ABC2",
"energy": -6.04916676,
"energy_per_atom": -1.51229169,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.04916676,
"band_gap": 0.056,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.078000Z",
"spacegroup": 71
},
{
"id": "mp-1028285",
"created_at": "2022-09-04T14:42:19.035952Z",
"structure_string": "Cs1 Mg14 Al1\n1.0\n6.557755 -0.099475 0.000000\n-3.365026 5.828395 0.000000\n0.000000 0.000000 10.612451\nCs Mg Al\n1 14 1\ndirect\n0.162208 0.831104 0.125000 Cs\n0.165796 0.332898 0.625000 Mg\n0.171493 0.835746 0.625000 Mg\n0.656158 0.336726 0.125000 Mg\n0.669685 0.329228 0.625000 Mg\n0.656158 0.819431 0.125000 Mg\n0.669685 0.840456 0.625000 Mg\n0.334281 0.181623 0.388753 Mg\n0.334281 0.181623 0.861247 Mg\n0.334281 0.652659 0.388753 Mg\n0.334281 0.652659 0.861247 Mg\n0.835778 0.167890 0.363991 Mg\n0.835778 0.167890 0.886009 Mg\n0.817273 0.658637 0.395545 Mg\n0.817273 0.658637 0.854455 Mg\n0.205588 0.352794 0.125000 Al\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Al"
],
"chemical_system": "Al-Cs-Mg",
"density": 2.065645654005469,
"density_atomic": 0.03979425381799854,
"volume": 402.06809940894937,
"volume_molar": 15.133191810914786,
"formula_full": "Cs1 Mg14 Al1",
"formula_reduced": "CsMg14Al",
"formula_anonymous": "ABC14",
"energy": -24.20410893,
"energy_per_atom": -1.512756808125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.20410893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.089000Z",
"spacegroup": 38
},
{
"id": "mp-1183580",
"created_at": "2022-09-04T14:42:14.299527Z",
"structure_string": "Cd3 B1\n1.0\n-2.051151 2.051151 4.429693\n2.051151 -2.051151 4.429693\n2.051151 2.051151 -4.429693\nCd B\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"B"
],
"chemical_system": "B-Cd",
"density": 7.752724706232261,
"density_atomic": 0.053657582915487355,
"volume": 74.54677946079207,
"volume_molar": 11.223279977939168,
"formula_full": "Cd3 B1",
"formula_reduced": "Cd3B",
"formula_anonymous": "AB3",
"energy": -6.05145415,
"energy_per_atom": -1.5128635375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05145415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.816000Z",
"spacegroup": 139
},
{
"id": "mp-1016322",
"created_at": "2022-09-04T14:44:15.130883Z",
"structure_string": "Sr2 Mg12 Cd2\n1.0\n5.223789 0.000000 0.000000\n0.000000 6.811949 0.000000\n0.000000 0.000000 11.760569\nSr Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.669657 Sr\n0.000000 0.000000 0.169657 Sr\n0.000000 0.255509 0.919629 Mg\n0.000000 0.744491 0.919629 Mg\n0.000000 0.500000 0.161767 Mg\n0.500000 0.266135 0.076830 Mg\n0.500000 0.733865 0.076830 Mg\n0.500000 0.500000 0.332869 Mg\n0.000000 0.755509 0.419629 Mg\n0.000000 0.244491 0.419629 Mg\n0.000000 0.000000 0.661767 Mg\n0.500000 0.766135 0.576830 Mg\n0.500000 0.233865 0.576830 Mg\n0.500000 0.000000 0.832869 Mg\n0.500000 0.500000 0.842789 Cd\n0.500000 0.000000 0.342789 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg-Sr",
"density": 2.744702875629348,
"density_atomic": 0.03823267050550082,
"volume": 418.4902542368303,
"volume_molar": 15.751295110639868,
"formula_full": "Sr2 Mg12 Cd2",
"formula_reduced": "SrMg6Cd",
"formula_anonymous": "ABC6",
"energy": -24.2068176,
"energy_per_atom": -1.5129261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.2068176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0070573,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.450000Z",
"spacegroup": 38
},
{
"id": "mp-1026691",
"created_at": "2022-09-04T14:39:34.975151Z",
"structure_string": "Ba1 Na1 Mg14\n1.0\n6.766417 -0.000000 0.000000\n-3.383208 5.859888 0.000000\n-0.000000 0.000000 10.506474\nBa Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Na\n0.167093 0.833546 0.125000 Mg\n0.178760 0.839379 0.625000 Mg\n0.666454 0.332907 0.125000 Mg\n0.660621 0.321240 0.625000 Mg\n0.666454 0.833546 0.125000 Mg\n0.660621 0.839379 0.625000 Mg\n0.341010 0.158990 0.365737 Mg\n0.341010 0.158990 0.884263 Mg\n0.341010 0.682021 0.365737 Mg\n0.341010 0.682021 0.884263 Mg\n0.817979 0.158990 0.365737 Mg\n0.817979 0.158990 0.884263 Mg\n0.833333 0.666667 0.378182 Mg\n0.833333 0.666667 0.871818 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Na",
"Mg"
],
"chemical_system": "Ba-Mg-Na",
"density": 1.995369822754721,
"density_atomic": 0.03840740085822443,
"volume": 416.58637768959613,
"volume_molar": 15.679636282157947,
"formula_full": "Ba1 Na1 Mg14",
"formula_reduced": "BaNaMg14",
"formula_anonymous": "ABC14",
"energy": -24.21103811,
"energy_per_atom": -1.513189881875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.21103811,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.443000Z",
"spacegroup": 187
}
]
}