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=formation_energy&page=1734",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=1732",
"results": [
{
"id": "mp-27869",
"created_at": "2022-09-04T14:45:16.061754Z",
"structure_string": "Ba2 P1 Cl1\n1.0\n7.810826 -2.336785 0.000000\n7.810826 2.336785 0.000000\n7.111724 0.000000 3.986597\nBa P Cl\n2 1 1\ndirect\n0.759638 0.759638 0.759638 Ba\n0.240362 0.240362 0.240362 Ba\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"P",
"Cl"
],
"chemical_system": "Ba-Cl-P",
"density": 3.8918695178703824,
"density_atomic": 0.02748602521800187,
"volume": 145.5284992382316,
"volume_molar": 21.909827675104587,
"formula_full": "Ba2 P1 Cl1",
"formula_reduced": "Ba2PCl",
"formula_anonymous": "ABC2",
"energy": -18.37102067,
"energy_per_atom": -4.5927551675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.75702067,
"band_gap": 1.2602000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.413000Z",
"spacegroup": 166
},
{
"id": "mp-30354",
"created_at": "2022-09-04T14:45:16.090231Z",
"structure_string": "Sc1 Ag4\n1.0\n-3.343879 3.343879 2.059369\n3.343879 -3.343879 2.059369\n3.343879 3.343879 -2.059369\nSc Ag\n1 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.799882 0.599582 0.399464 Ag\n0.400418 0.799882 0.200300 Ag\n0.599582 0.200118 0.799700 Ag\n0.200118 0.400418 0.600536 Ag\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Sc",
"Ag"
],
"chemical_system": "Ag-Sc",
"density": 8.589180981558862,
"density_atomic": 0.05428436154152016,
"volume": 92.10755838356282,
"volume_molar": 11.093693632914666,
"formula_full": "Sc1 Ag4",
"formula_reduced": "ScAg4",
"formula_anonymous": "AB4",
"energy": -18.65763405,
"energy_per_atom": -3.7315268099999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.65763405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008188,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:58.952000Z",
"spacegroup": 87
},
{
"id": "mp-1214275",
"created_at": "2022-09-04T14:45:16.214791Z",
"structure_string": "Ce3 Al9 Br36\n1.0\n5.374158 -9.308315 0.000000\n5.374158 9.308315 0.000000\n0.000000 0.000000 19.258014\nCe Al Br\n3 9 36\ndirect\n0.726623 0.000000 0.333333 Ce\n0.000000 0.726623 0.666667 Ce\n0.273377 0.273377 0.000000 Ce\n0.303805 0.630580 0.720336 Al\n0.369420 0.673226 0.053670 Al\n0.630580 0.303805 0.279664 Al\n0.326774 0.696195 0.387003 Al\n0.673226 0.369420 0.946330 Al\n0.696195 0.326774 0.612997 Al\n0.099888 0.000000 0.833333 Al\n0.000000 0.099888 0.166667 Al\n0.900112 0.900112 0.500000 Al\n0.077106 0.197296 0.864718 Br\n0.802704 0.879810 0.198051 Br\n0.197296 0.077106 0.135282 Br\n0.120190 0.922894 0.531384 Br\n0.879810 0.802704 0.801949 Br\n0.922894 0.120190 0.468616 Br\n0.084816 0.586411 0.776636 Br\n0.413589 0.498405 0.109970 Br\n0.586411 0.084816 0.223364 Br\n0.501595 0.915184 0.443303 Br\n0.498405 0.413589 0.890030 Br\n0.915184 0.501595 0.556697 Br\n0.504156 0.275674 0.544781 Br\n0.724326 0.228482 0.878115 Br\n0.275674 0.504156 0.455219 Br\n0.771518 0.495844 0.211448 Br\n0.228482 0.724326 0.121885 Br\n0.495844 0.771518 0.788552 Br\n0.236131 0.524696 0.957396 Br\n0.475304 0.711435 0.290730 Br\n0.524696 0.236131 0.042604 Br\n0.288565 0.763869 0.624063 Br\n0.711435 0.475304 0.709270 Br\n0.763869 0.288565 0.375937 Br\n0.232545 0.027161 0.732406 Br\n0.972839 0.205384 0.065739 Br\n0.027161 0.232545 0.267594 Br\n0.794616 0.767455 0.399073 Br\n0.205384 0.972839 0.934261 Br\n0.767455 0.794616 0.600927 Br\n0.283996 0.420955 0.683376 Br\n0.579045 0.863042 0.016709 Br\n0.420955 0.283996 0.316624 Br\n0.136958 0.716004 0.350042 Br\n0.863042 0.579045 0.983291 Br\n0.716004 0.136958 0.649958 Br\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Br"
],
"chemical_system": "Al-Br-Ce",
"density": 3.050673493571948,
"density_atomic": 0.024912553330220445,
"volume": 1926.73947803548,
"volume_molar": 24.17311738453873,
"formula_full": "Ce3 Al9 Br36",
"formula_reduced": "Ce(AlBr4)3",
"formula_anonymous": "AB3C12",
"energy": -193.40823918,
"energy_per_atom": -4.0293383162500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.18423918,
"band_gap": 0.3461999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1265229,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.543000Z",
"spacegroup": 152
},
{
"id": "mp-1446296",
"created_at": "2022-09-04T14:45:16.263448Z",
"structure_string": "Mg4 V4 O8\n1.0\n1.506126 8.396759 0.000000\n-1.506126 8.396759 0.000000\n0.000000 7.417644 8.351763\nMg V O\n4 4 8\ndirect\n0.645342 0.645342 0.278528 Mg\n0.354658 0.354658 0.721472 Mg\n0.930569 0.930569 0.363930 Mg\n0.069431 0.069431 0.636070 Mg\n0.369129 0.369129 0.968326 V\n0.761463 0.761463 0.359583 V\n0.238537 0.238537 0.640417 V\n0.630871 0.630871 0.031674 V\n0.194151 0.194151 0.876944 O\n0.650015 0.650015 0.633763 O\n0.349985 0.349985 0.366237 O\n0.805849 0.805849 0.123056 O\n0.913925 0.913925 0.790921 O\n0.143852 0.143852 0.406044 O\n0.086075 0.086075 0.209079 O\n0.856148 0.856148 0.593956 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.372144727361878,
"density_atomic": 0.07574235968674767,
"volume": 211.24242849275072,
"volume_molar": 7.950822742922373,
"formula_full": "Mg4 V4 O8",
"formula_reduced": "MgVO2",
"formula_anonymous": "ABC2",
"energy": -118.64477856,
"energy_per_atom": -7.41529866,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.34877856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0006265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.217000Z",
"spacegroup": 12
},
{
"id": "mp-975206",
"created_at": "2022-09-04T14:45:16.271071Z",
"structure_string": "Rb1 Sb1 O3\n1.0\n4.090540 0.000000 0.000000\n0.000000 4.090540 0.000000\n0.000000 0.000000 4.090540\nRb Sb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"O"
],
"chemical_system": "O-Rb-Sb",
"density": 6.192016145047547,
"density_atomic": 0.07305132084222464,
"volume": 68.44503210008946,
"volume_molar": 8.243712352589144,
"formula_full": "Rb1 Sb1 O3",
"formula_reduced": "RbSbO3",
"formula_anonymous": "ABC3",
"energy": -28.94947352,
"energy_per_atom": -5.789894704,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.88847352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.749000Z",
"spacegroup": 221
},
{
"id": "mp-1214095",
"created_at": "2022-09-04T14:45:16.090319Z",
"structure_string": "Ca2 La1 Mn2 O7\n1.0\n3.887892 0.000267 -0.000024\n0.000267 3.887941 -0.000022\n-1.944139 -1.944158 9.706202\nCa La Mn O\n2 1 2 7\ndirect\n0.315002 0.315010 0.630033 Ca\n0.684990 0.684990 0.369971 Ca\n0.500006 0.500005 0.999995 La\n0.897855 0.897846 0.795678 Mn\n0.102146 0.102148 0.204322 Mn\n0.000000 0.000001 0.999999 O\n0.199573 0.199565 0.399170 O\n0.800430 0.800433 0.600827 O\n0.096185 0.596181 0.192400 O\n0.903820 0.403818 0.807603 O\n0.596181 0.096182 0.192402 O\n0.403814 0.903821 0.807600 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ca",
"La",
"Mn",
"O"
],
"chemical_system": "Ca-La-Mn-O",
"density": 4.990452231621307,
"density_atomic": 0.08178979010868774,
"volume": 146.71757910190988,
"volume_molar": 7.36294927765113,
"formula_full": "Ca2 La1 Mn2 O7",
"formula_reduced": "Ca2LaMn2O7",
"formula_anonymous": "AB2C2D7",
"energy": -96.03394752,
"energy_per_atom": -8.00282896,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.88894752,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002319,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.045000Z",
"spacegroup": 139
},
{
"id": "mp-1212541",
"created_at": "2022-09-04T14:45:16.095609Z",
"structure_string": "Rb3 Nb1 F12\n1.0\n7.043607 3.875988 0.000000\n-7.043607 3.875988 0.000000\n0.000000 0.554102 7.253562\nRb Nb F\n3 1 12\ndirect\n0.000000 0.000000 0.500000 Rb\n0.500000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Nb\n0.751746 0.917148 0.855037 F\n0.248254 0.082852 0.144963 F\n0.894564 0.413586 0.512189 F\n0.082852 0.248254 0.144963 F\n0.105436 0.586414 0.487811 F\n0.917148 0.751746 0.855037 F\n0.772614 0.945223 0.182820 F\n0.586414 0.105436 0.487811 F\n0.227386 0.054777 0.817180 F\n0.413586 0.894564 0.512189 F\n0.054777 0.227386 0.817180 F\n0.945223 0.772614 0.182820 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"F"
],
"chemical_system": "F-Nb-Rb",
"density": 2.4203865664141495,
"density_atomic": 0.040398116683744045,
"volume": 396.0580668959329,
"volume_molar": 14.906983924880025,
"formula_full": "Rb3 Nb1 F12",
"formula_reduced": "Rb3NbF12",
"formula_anonymous": "AB3C12",
"energy": -74.50529032,
"energy_per_atom": -4.656580645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.96129032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114894,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.322000Z",
"spacegroup": 12
},
{
"id": "mp-22034",
"created_at": "2022-09-04T14:45:16.102163Z",
"structure_string": "Pr2 Fe2 P2 O2\n1.0\n3.949546 0.000000 0.000000\n0.000000 3.949546 0.000000\n0.000000 0.000000 8.854318\nPr Fe P O\n2 2 2 2\ndirect\n0.000000 0.500000 0.858375 Pr\n0.500000 0.000000 0.141625 Pr\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.346865 P\n0.500000 0.000000 0.653135 P\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Pr",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P-Pr",
"density": 5.8604525081549195,
"density_atomic": 0.05792159581948637,
"volume": 138.11774152307777,
"volume_molar": 10.39705601131589,
"formula_full": "Pr2 Fe2 P2 O2",
"formula_reduced": "PrFePO",
"formula_anonymous": "ABCD",
"energy": -59.995113700000005,
"energy_per_atom": -7.499389212500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.1091137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.5002881,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.457000Z",
"spacegroup": 129
},
{
"id": "mp-2554",
"created_at": "2022-09-04T14:45:16.103016Z",
"structure_string": "Al3 V1\n1.0\n-1.883274 1.883274 4.155683\n1.883274 -1.883274 4.155683\n1.883274 1.883274 -4.155683\nAl V\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.750000 0.250000 0.500000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"V"
],
"chemical_system": "Al-V",
"density": 3.714657278013145,
"density_atomic": 0.06784698715369787,
"volume": 58.9561919815033,
"volume_molar": 8.876062169654904,
"formula_full": "Al3 V1",
"formula_reduced": "Al3V",
"formula_anonymous": "AB3",
"energy": -21.47317067,
"energy_per_atom": -5.3682926675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.47317067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.5e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.357000Z",
"spacegroup": 139
},
{
"id": "mp-1185746",
"created_at": "2022-09-04T14:45:16.114541Z",
"structure_string": "Mg16 Np1 Al12\n1.0\n-5.249662 5.249662 5.249662\n5.249662 -5.249662 5.249662\n5.249662 5.249662 -5.249662\nMg Np Al\n16 1 12\ndirect\n0.356357 0.000000 0.000000 Mg\n0.000000 0.356357 0.000000 Mg\n0.605109 0.321634 0.000000 Mg\n0.321634 0.605109 0.000000 Mg\n0.394891 0.394891 0.716525 Mg\n0.678366 0.283475 0.678366 Mg\n0.283475 0.678366 0.678366 Mg\n0.643643 0.643643 0.643643 Mg\n0.000000 0.321634 0.605109 Mg\n0.321634 0.000000 0.605109 Mg\n0.716525 0.394891 0.394891 Mg\n0.394891 0.716525 0.394891 Mg\n0.000000 0.000000 0.356357 Mg\n0.605109 0.000000 0.321634 Mg\n0.000000 0.605109 0.321634 Mg\n0.678366 0.678366 0.283475 Mg\n0.000000 0.000000 0.000000 Np\n0.637092 0.816190 0.000000 Al\n0.816190 0.637092 0.000000 Al\n0.183810 0.183810 0.820902 Al\n0.000000 0.637092 0.816190 Al\n0.637092 0.000000 0.816190 Al\n0.816190 0.000000 0.637092 Al\n0.000000 0.816190 0.637092 Al\n0.362908 0.179098 0.362908 Al\n0.179098 0.362908 0.362908 Al\n0.820902 0.183810 0.183810 Al\n0.183810 0.820902 0.183810 Al\n0.362908 0.362908 0.179098 Al\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Mg",
"Np",
"Al"
],
"chemical_system": "Al-Mg-Np",
"density": 2.724975001319927,
"density_atomic": 0.05011225891657205,
"volume": 578.7007136972176,
"volume_molar": 12.017300537231396,
"formula_full": "Mg16 Np1 Al12",
"formula_reduced": "Mg16NpAl12",
"formula_anonymous": "AB12C16",
"energy": -83.31366943,
"energy_per_atom": -2.872885152758621,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.31366943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3586391,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:53.499000Z",
"spacegroup": 217
},
{
"id": "mp-616463",
"created_at": "2022-09-04T14:45:16.117307Z",
"structure_string": "C16 S8 N16\n1.0\n6.878932 0.000000 0.000000\n0.000000 8.563792 0.000000\n0.000000 0.000000 12.861577\nC S N\n16 8 16\ndirect\n0.617093 0.598533 0.390568 C\n0.882907 0.598533 0.890568 C\n0.617093 0.098533 0.109432 C\n0.741712 0.825225 0.136447 C\n0.258288 0.174775 0.863553 C\n0.258288 0.674775 0.636447 C\n0.382907 0.401467 0.609432 C\n0.241712 0.174775 0.363553 C\n0.758288 0.325225 0.863553 C\n0.241712 0.674775 0.136447 C\n0.382907 0.901467 0.890568 C\n0.882907 0.098533 0.609432 C\n0.741712 0.325225 0.363553 C\n0.117093 0.401467 0.109432 C\n0.117093 0.901467 0.390568 C\n0.758288 0.825225 0.636447 C\n0.164866 0.992468 0.877831 S\n0.664866 0.507532 0.877831 S\n0.164866 0.492468 0.622169 S\n0.335134 0.992468 0.377831 S\n0.835134 0.007532 0.122169 S\n0.835134 0.507532 0.377831 S\n0.335134 0.492468 0.122169 S\n0.664866 0.007532 0.622169 S\n0.320788 0.801812 0.642896 N\n0.471770 0.668454 0.397816 N\n0.179212 0.801812 0.142896 N\n0.679212 0.698188 0.142896 N\n0.471770 0.168454 0.102184 N\n0.528230 0.831546 0.897816 N\n0.820788 0.198188 0.857104 N\n0.820788 0.698188 0.642896 N\n0.028230 0.168454 0.602184 N\n0.971770 0.831546 0.397816 N\n0.971770 0.331546 0.102184 N\n0.528230 0.331546 0.602184 N\n0.028230 0.668454 0.897816 N\n0.679212 0.198188 0.357104 N\n0.320788 0.301812 0.857104 N\n0.179212 0.301812 0.357104 N\n",
"nsites": 40,
"nelements": 3,
"elements": [
"C",
"S",
"N"
],
"chemical_system": "C-N-S",
"density": 1.4745268953899051,
"density_atomic": 0.05279327966007336,
"volume": 757.672193460095,
"volume_molar": 11.407021497386607,
"formula_full": "C16 S8 N16",
"formula_reduced": "C2SN2",
"formula_anonymous": "AB2C2",
"energy": -298.99424486000004,
"energy_per_atom": -7.474856121500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.19424486,
"band_gap": 3.6959,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.003256,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.586000Z",
"spacegroup": 61
},
{
"id": "mp-979429",
"created_at": "2022-09-04T14:45:16.121917Z",
"structure_string": "Y1 Ho1 Cd2\n1.0\n0.000000 3.748208 3.748208\n3.748208 0.000000 3.748208\n3.748208 3.748208 0.000000\nY Ho Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ho\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ho",
"Cd"
],
"chemical_system": "Cd-Ho-Y",
"density": 7.546985717227982,
"density_atomic": 0.03798034853855115,
"volume": 105.31762224193083,
"volume_molar": 15.855938641235356,
"formula_full": "Y1 Ho1 Cd2",
"formula_reduced": "YHoCd2",
"formula_anonymous": "ABC2",
"energy": -14.21863319,
"energy_per_atom": -3.5546582975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.21863319,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047801,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.530000Z",
"spacegroup": 225
}
]
}