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&page=10175",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10173",
"results": [
{
"id": "mp-1078693",
"created_at": "2022-09-04T14:39:59.586492Z",
"structure_string": "Ba2 Cd2 Sb2 F2\n1.0\n4.662690 0.000000 0.000000\n0.000000 4.662690 0.000000\n0.000000 0.000000 9.872847\nBa Cd Sb F\n2 2 2 2\ndirect\n0.000000 0.500000 0.642185 Ba\n0.500000 0.000000 0.357815 Ba\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.187110 Sb\n0.500000 0.000000 0.812890 Sb\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Cd",
"Sb",
"F"
],
"chemical_system": "Ba-Cd-F-Sb",
"density": 6.041998872113719,
"density_atomic": 0.0372712961185136,
"volume": 214.64238792667575,
"volume_molar": 16.15758341446207,
"formula_full": "Ba2 Cd2 Sb2 F2",
"formula_reduced": "BaCdSbF",
"formula_anonymous": "ABCD",
"energy": -33.41401422,
"energy_per_atom": -4.1767517775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.10601422,
"band_gap": 0.2896999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0039857,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.801000Z",
"spacegroup": 129
},
{
"id": "mp-1111773",
"created_at": "2022-09-04T14:42:54.696733Z",
"structure_string": "Na3 Y1 I6\n1.0\n0.000000 6.107796 6.107796\n6.107796 0.000000 6.107796\n6.107796 6.107796 0.000000\nNa Y I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.753772 0.246228 0.246228 I\n0.246228 0.246228 0.753772 I\n0.246228 0.753772 0.753772 I\n0.246228 0.753772 0.246228 I\n0.753772 0.246228 0.753772 I\n0.753772 0.753772 0.246228 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Y",
"I"
],
"chemical_system": "I-Na-Y",
"density": 3.3498373968529993,
"density_atomic": 0.021944032342159508,
"volume": 455.70476036839005,
"volume_molar": 27.443182119405144,
"formula_full": "Na3 Y1 I6",
"formula_reduced": "Na3YI6",
"formula_anonymous": "AB3C6",
"energy": -33.41386638,
"energy_per_atom": -3.3413866380000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.13986638,
"band_gap": 2.4016,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.207000Z",
"spacegroup": 225
},
{
"id": "mp-1027850",
"created_at": "2022-09-04T14:43:54.400262Z",
"structure_string": "Mg14 Ti1 Cu1\n1.0\n6.285221 0.023862 0.000000\n-3.121945 5.407367 0.000000\n0.000000 0.000000 10.009494\nMg Ti Cu\n14 1 1\ndirect\n0.167599 0.333799 0.625000 Mg\n0.169317 0.834658 0.625000 Mg\n0.662384 0.338136 0.125000 Mg\n0.665206 0.331471 0.625000 Mg\n0.662384 0.824247 0.125000 Mg\n0.665206 0.833733 0.625000 Mg\n0.327538 0.164481 0.363446 Mg\n0.327538 0.164481 0.886554 Mg\n0.327538 0.663058 0.363446 Mg\n0.327538 0.663058 0.886554 Mg\n0.842276 0.171139 0.363936 Mg\n0.842276 0.171139 0.886064 Mg\n0.840358 0.670179 0.373710 Mg\n0.840358 0.670179 0.876290 Mg\n0.157767 0.828883 0.125000 Ti\n0.174718 0.337358 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Cu"
],
"chemical_system": "Cu-Mg-Ti",
"density": 2.1999530924028963,
"density_atomic": 0.046930000703771096,
"volume": 340.9332998095248,
"volume_molar": 12.832177007651495,
"formula_full": "Mg14 Ti1 Cu1",
"formula_reduced": "Mg14TiCu",
"formula_anonymous": "ABC14",
"energy": -33.41108402,
"energy_per_atom": -2.08819275125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.41108402,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0032409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.451000Z",
"spacegroup": 38
},
{
"id": "mp-1026732",
"created_at": "2022-09-04T14:42:29.141959Z",
"structure_string": "Ce1 Mg14 Sb1\n1.0\n6.521162 0.083435 0.000000\n-3.188324 5.522339 0.000000\n0.000000 0.000000 10.396073\nCe Mg Sb\n1 14 1\ndirect\n0.166074 0.333036 0.125000 Ce\n0.164358 0.332178 0.625000 Mg\n0.163269 0.831634 0.625000 Mg\n0.663827 0.326470 0.125000 Mg\n0.666534 0.334827 0.625000 Mg\n0.663827 0.837356 0.125000 Mg\n0.666534 0.831705 0.625000 Mg\n0.337784 0.168288 0.383836 Mg\n0.337784 0.168288 0.866164 Mg\n0.337784 0.669497 0.383836 Mg\n0.337784 0.669497 0.866164 Mg\n0.830591 0.165296 0.381598 Mg\n0.830591 0.165296 0.868402 Mg\n0.830749 0.665375 0.371861 Mg\n0.830749 0.665375 0.878139 Mg\n0.171765 0.835882 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Sb"
],
"chemical_system": "Ce-Mg-Sb",
"density": 2.6511678720521905,
"density_atomic": 0.04242348163908519,
"volume": 377.1496204889284,
"volume_molar": 14.195300638530668,
"formula_full": "Ce1 Mg14 Sb1",
"formula_reduced": "CeMg14Sb",
"formula_anonymous": "ABC14",
"energy": -33.41094533,
"energy_per_atom": -2.088184083125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.21894533,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0158975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.483000Z",
"spacegroup": 38
},
{
"id": "mp-36946",
"created_at": "2022-09-04T14:42:06.713713Z",
"structure_string": "Tl2 Bi2 S4\n1.0\n-2.978586 2.978586 6.146978\n2.978586 -2.978586 6.146978\n2.978586 2.978586 -6.146978\nTl Bi S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Tl\n0.750000 0.250000 0.500000 Tl\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.727773 0.727773 0.000000 S\n0.272227 0.272227 0.000000 S\n0.022227 0.522227 0.500000 S\n0.477773 0.977773 0.500000 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Bi",
"S"
],
"chemical_system": "Bi-S-Tl",
"density": 7.269504356397853,
"density_atomic": 0.036673136005597406,
"volume": 218.1433297326676,
"volume_molar": 16.42112296881522,
"formula_full": "Tl2 Bi2 S4",
"formula_reduced": "TlBiS2",
"formula_anonymous": "ABC2",
"energy": -33.40977885,
"energy_per_atom": -4.17622235625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.39777885,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.545000Z",
"spacegroup": 141
},
{
"id": "mp-864936",
"created_at": "2022-09-04T14:40:35.624834Z",
"structure_string": "Mn1 Ge1 Ru2\n1.0\n0.000000 3.006413 3.006413\n3.006413 0.000000 3.006413\n3.006413 3.006413 0.000000\nMn Ge Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ru\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ge",
"Ru"
],
"chemical_system": "Ge-Mn-Ru",
"density": 10.074323577137433,
"density_atomic": 0.07360106076605452,
"volume": 54.347042805731355,
"volume_molar": 8.18213854164649,
"formula_full": "Mn1 Ge1 Ru2",
"formula_reduced": "MnGeRu2",
"formula_anonymous": "ABC2",
"energy": -33.40923677,
"energy_per_atom": -8.3523091925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.40923677,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0141334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.207000Z",
"spacegroup": 225
},
{
"id": "mp-1027819",
"created_at": "2022-09-04T14:44:58.918524Z",
"structure_string": "Mg14 Ti1 Cu1\n1.0\n6.284707 0.000000 -0.000000\n-3.142354 5.442716 0.000000\n0.000000 -0.000000 10.000714\nMg Ti Cu\n14 1 1\ndirect\n0.164602 0.832300 0.125000 Mg\n0.173290 0.836645 0.625000 Mg\n0.667700 0.335398 0.125000 Mg\n0.663355 0.326710 0.625000 Mg\n0.667700 0.832300 0.125000 Mg\n0.663355 0.836645 0.625000 Mg\n0.326554 0.173446 0.370811 Mg\n0.326554 0.173446 0.879189 Mg\n0.326554 0.653109 0.370811 Mg\n0.326554 0.653109 0.879189 Mg\n0.846891 0.173446 0.370811 Mg\n0.846891 0.173446 0.879189 Mg\n0.833333 0.666667 0.378127 Mg\n0.833333 0.666667 0.871873 Mg\n0.166667 0.333333 0.625000 Ti\n0.166667 0.333333 0.125000 Cu\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Cu"
],
"chemical_system": "Cu-Mg-Ti",
"density": 2.1925581814075707,
"density_atomic": 0.04677225044108896,
"volume": 342.08317643711575,
"volume_molar": 12.875456500826415,
"formula_full": "Mg14 Ti1 Cu1",
"formula_reduced": "Mg14TiCu",
"formula_anonymous": "ABC14",
"energy": -33.40917367,
"energy_per_atom": -2.088073354375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.40917367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.773111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.893000Z",
"spacegroup": 187
},
{
"id": "mp-1021283",
"created_at": "2022-09-04T14:41:06.148626Z",
"structure_string": "Li2 Mg12 Si2\n1.0\n4.909203 0.000000 0.000000\n0.000000 6.237614 0.000000\n0.000000 0.000000 10.843333\nLi Mg Si\n2 12 2\ndirect\n0.500000 0.500000 0.666985 Li\n0.500000 0.000000 0.166985 Li\n0.500000 0.748824 0.916188 Mg\n0.500000 0.251176 0.916188 Mg\n0.000000 0.249072 0.586033 Mg\n0.000000 0.750928 0.586033 Mg\n0.000000 0.500000 0.831563 Mg\n0.000000 0.000000 0.830898 Mg\n0.500000 0.248824 0.416188 Mg\n0.500000 0.751176 0.416188 Mg\n0.000000 0.749072 0.086033 Mg\n0.000000 0.250928 0.086033 Mg\n0.000000 0.000000 0.331563 Mg\n0.000000 0.500000 0.330898 Mg\n0.500000 0.000000 0.666110 Si\n0.500000 0.500000 0.166110 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Si"
],
"chemical_system": "Li-Mg-Si",
"density": 1.8089265497165692,
"density_atomic": 0.048186757172272686,
"volume": 332.0414350108336,
"volume_molar": 12.497501623672699,
"formula_full": "Li2 Mg12 Si2",
"formula_reduced": "LiMg6Si",
"formula_anonymous": "ABC6",
"energy": -33.40845362,
"energy_per_atom": -2.08802835125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.55045362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.670000Z",
"spacegroup": 38
},
{
"id": "mp-5112",
"created_at": "2022-09-04T14:41:46.737765Z",
"structure_string": "Pr1 Co2 Si2\n1.0\n-1.977088 1.977088 5.037650\n1.977088 -1.977088 5.037650\n1.977088 1.977088 -5.037650\nPr Co Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Co\n0.634389 0.634389 0.000000 Si\n0.365611 0.365611 0.000000 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Si"
],
"chemical_system": "Co-Pr-Si",
"density": 6.639630147018968,
"density_atomic": 0.06347899200683652,
"volume": 78.76621606501745,
"volume_molar": 9.486824805522168,
"formula_full": "Pr1 Co2 Si2",
"formula_reduced": "Pr(CoSi)2",
"formula_anonymous": "AB2C2",
"energy": -33.40805721,
"energy_per_atom": -6.681611442,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.55005721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.01397,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:27.338000Z",
"spacegroup": 139
},
{
"id": "mp-1025222",
"created_at": "2022-09-04T14:48:23.505437Z",
"structure_string": "Zn1 Pd5 Se1\n1.0\n4.005162 0.000000 0.000000\n0.000000 4.005162 0.000000\n0.000000 0.000000 7.069546\nZn Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.273621 Pd\n0.000000 0.500000 0.726379 Pd\n0.500000 0.000000 0.273621 Pd\n0.500000 0.000000 0.726379 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Zn",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Zn",
"density": 9.905246734136814,
"density_atomic": 0.06172574512842622,
"volume": 113.4048683484637,
"volume_molar": 9.756286858053102,
"formula_full": "Zn1 Pd5 Se1",
"formula_reduced": "ZnPd5Se",
"formula_anonymous": "ABC5",
"energy": -33.40751744,
"energy_per_atom": -4.772502491428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.93551744,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027824,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:20.874000Z",
"spacegroup": 123
},
{
"id": "mp-1026771",
"created_at": "2022-09-04T14:40:34.735122Z",
"structure_string": "Li1 Hf1 Mg14\n1.0\n6.384784 -0.008886 0.000000\n-3.200088 5.542714 0.000000\n0.000000 0.000000 10.184889\nLi Hf Mg\n1 1 14\ndirect\n0.171695 0.335847 0.125000 Li\n0.167720 0.833860 0.125000 Hf\n0.166469 0.333234 0.625000 Mg\n0.166572 0.833286 0.625000 Mg\n0.662363 0.336274 0.125000 Mg\n0.666952 0.333391 0.625000 Mg\n0.662363 0.826088 0.125000 Mg\n0.666952 0.833560 0.625000 Mg\n0.330674 0.163445 0.372344 Mg\n0.330674 0.163445 0.877656 Mg\n0.330674 0.667230 0.372344 Mg\n0.330674 0.667230 0.877656 Mg\n0.835014 0.167507 0.371878 Mg\n0.835014 0.167507 0.878122 Mg\n0.838095 0.669048 0.373714 Mg\n0.838095 0.669048 0.876286 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Hf",
"Mg"
],
"chemical_system": "Hf-Li-Mg",
"density": 2.423885093822973,
"density_atomic": 0.04442670560219486,
"volume": 360.1437419930938,
"volume_molar": 13.555226925722085,
"formula_full": "Li1 Hf1 Mg14",
"formula_reduced": "LiHfMg14",
"formula_anonymous": "ABC14",
"energy": -33.40558246,
"energy_per_atom": -2.08784890375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.40558246,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.795000Z",
"spacegroup": 38
},
{
"id": "mp-1207015",
"created_at": "2022-09-04T14:39:45.256675Z",
"structure_string": "Cs1 P2 Ru2\n1.0\n-2.040517 2.040517 6.990327\n2.040517 -2.040517 6.990327\n2.040517 2.040517 -6.990327\nCs P Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.328519 0.328519 0.000000 P\n0.671481 0.671481 0.000000 P\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"P",
"Ru"
],
"chemical_system": "Cs-P-Ru",
"density": 5.662314690439113,
"density_atomic": 0.04294692623681776,
"volume": 116.42276731119291,
"volume_molar": 14.02228584833461,
"formula_full": "Cs1 P2 Ru2",
"formula_reduced": "Cs(PRu)2",
"formula_anonymous": "AB2C2",
"energy": -33.40446496,
"energy_per_atom": -6.6808929919999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.40446496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002947,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.487000Z",
"spacegroup": 139
}
]
}