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=density&page=10368",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10366",
"results": [
{
"id": "mp-1219379",
"created_at": "2022-09-04T14:48:16.887844Z",
"structure_string": "Sm2 Ga2 Fe15 C1\n1.0\n4.316199 4.870063 0.000000\n-4.316199 4.870063 0.000000\n0.000000 1.051151 6.410275\nSm Ga Fe C\n2 2 15 1\ndirect\n0.343126 0.343126 0.353696 Sm\n0.656874 0.656874 0.646304 Sm\n0.103278 0.103278 0.102688 Ga\n0.896722 0.896722 0.897312 Ga\n0.656114 0.656114 0.150176 Fe\n0.658764 0.152686 0.656631 Fe\n0.152686 0.658764 0.656631 Fe\n0.343886 0.343886 0.849824 Fe\n0.341236 0.847314 0.343369 Fe\n0.847314 0.341236 0.343369 Fe\n0.712943 0.287057 0.000000 Fe\n0.291240 0.999774 0.709536 Fe\n0.000226 0.708760 0.290464 Fe\n0.708760 0.000226 0.290464 Fe\n0.999774 0.291240 0.709536 Fe\n0.287057 0.712943 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 C\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sm",
"Ga",
"Fe",
"C"
],
"chemical_system": "C-Fe-Ga-Sm",
"density": 7.947786312158395,
"density_atomic": 0.0742142494656703,
"volume": 269.49002575646216,
"volume_molar": 8.114534342607202,
"formula_full": "Sm2 Ga2 Fe15 C1",
"formula_reduced": "Sm2Ga2Fe15C",
"formula_anonymous": "AB2C2D15",
"energy": -152.8880792,
"energy_per_atom": -7.64440396,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.8880792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 30.727785,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:48.293000Z",
"spacegroup": 12
},
{
"id": "mp-973486",
"created_at": "2022-09-04T14:42:17.891339Z",
"structure_string": "Lu1 V1 O3\n1.0\n3.853611 0.000000 0.000000\n0.000000 3.853611 0.000000\n0.000000 0.000000 3.853611\nLu V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 V\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": [
"Lu",
"V",
"O"
],
"chemical_system": "Lu-O-V",
"density": 7.947822037687013,
"density_atomic": 0.08737081470245456,
"volume": 57.22734779374253,
"volume_molar": 6.892622874707859,
"formula_full": "Lu1 V1 O3",
"formula_reduced": "LuVO3",
"formula_anonymous": "ABC3",
"energy": -42.27564041,
"energy_per_atom": -8.455128082,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.51464041,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9970962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.292000Z",
"spacegroup": 221
},
{
"id": "mp-1025082",
"created_at": "2022-09-04T14:39:24.347220Z",
"structure_string": "La2 Sb2 Pd2\n1.0\n2.324904 -4.026851 0.000000\n2.324904 4.026851 0.000000\n0.000000 0.000000 8.191840\nLa Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.995223 La\n0.000000 0.000000 0.495223 La\n0.666667 0.333333 0.730722 Sb\n0.333333 0.666667 0.230722 Sb\n0.666667 0.333333 0.283055 Pd\n0.333333 0.666667 0.783055 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Sb",
"Pd"
],
"chemical_system": "La-Pd-Sb",
"density": 7.948116895630929,
"density_atomic": 0.03911733041814324,
"volume": 153.38470023038957,
"volume_molar": 15.39507092029684,
"formula_full": "La2 Sb2 Pd2",
"formula_reduced": "LaSbPd",
"formula_anonymous": "ABC",
"energy": -35.36767352,
"energy_per_atom": -5.8946122533333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.36767352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.252000Z",
"spacegroup": 186
},
{
"id": "mp-20426",
"created_at": "2022-09-04T14:41:07.843824Z",
"structure_string": "Fe4 As2\n1.0\n3.663818 0.000000 0.000000\n0.000000 3.663818 0.000000\n0.000000 0.000000 5.808705\nFe As\n4 2\ndirect\n0.000000 0.500000 0.682241 Fe\n0.500000 0.000000 0.317759 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.265104 As\n0.500000 0.000000 0.734896 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"As"
],
"chemical_system": "As-Fe",
"density": 7.948233637648245,
"density_atomic": 0.07694920644133454,
"volume": 77.97351366546387,
"volume_molar": 7.826124580753449,
"formula_full": "Fe4 As2",
"formula_reduced": "Fe2As",
"formula_anonymous": "AB2",
"energy": -43.60811457,
"energy_per_atom": -7.268019095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.60811457,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5367809,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.619000Z",
"spacegroup": 129
},
{
"id": "mp-1226652",
"created_at": "2022-09-04T14:46:05.115364Z",
"structure_string": "Co3 Ni9 P4\n1.0\n4.373475 0.000000 0.000000\n2.178298 6.283223 0.000000\n2.175740 0.004687 6.301951\nCo Ni P\n3 9 4\ndirect\n0.325646 0.811791 0.033098 Co\n0.861403 0.967119 0.815329 Co\n0.644505 0.031673 0.184501 Co\n0.583781 0.390255 0.948238 Ni\n0.925628 0.610543 0.051687 Ni\n0.464932 0.949291 0.610353 Ni\n0.024503 0.051658 0.389366 Ni\n0.611528 0.396135 0.332767 Ni\n0.338607 0.604375 0.667617 Ni\n0.056671 0.332780 0.604246 Ni\n0.991750 0.667644 0.396673 Ni\n0.165994 0.186624 0.966803 Ni\n0.196782 0.332852 0.238688 P\n0.765859 0.667568 0.762351 P\n0.570951 0.237072 0.665466 P\n0.471461 0.762620 0.332816 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Co",
"Ni",
"P"
],
"chemical_system": "Co-Ni-P",
"density": 7.94850684662104,
"density_atomic": 0.09239231278512676,
"volume": 173.17458041353055,
"volume_molar": 6.518010620651374,
"formula_full": "Co3 Ni9 P4",
"formula_reduced": "Co3Ni9P4",
"formula_anonymous": "A3B4C9",
"energy": -101.29203255,
"energy_per_atom": -6.330752034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.29203255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.692716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.351000Z",
"spacegroup": 1
},
{
"id": "mp-608",
"created_at": "2022-09-04T14:44:52.240213Z",
"structure_string": "Ti1 Co3\n1.0\n3.607171 0.000000 0.000000\n0.000000 3.607171 0.000000\n0.000000 0.000000 3.607171\nTi Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 7.948540456729966,
"density_atomic": 0.08522358495550096,
"volume": 46.93536421975887,
"volume_molar": 7.066284248831388,
"formula_full": "Ti1 Co3",
"formula_reduced": "TiCo3",
"formula_anonymous": "AB3",
"energy": -30.26725722,
"energy_per_atom": -7.566814305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.26725722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6850639,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.101000Z",
"spacegroup": 221
},
{
"id": "mp-558896",
"created_at": "2022-09-04T14:42:10.827631Z",
"structure_string": "Yb3 S2 F4\n1.0\n-1.907476 1.907476 9.462521\n1.907476 -1.907476 9.462521\n1.907476 1.907476 -9.462521\nYb S F\n3 2 4\ndirect\n0.362203 0.362203 0.000000 Yb\n0.000000 0.000000 0.000000 Yb\n0.637797 0.637797 0.000000 Yb\n0.217110 0.217110 0.000000 S\n0.782890 0.782890 0.000000 S\n0.929922 0.429922 0.500000 F\n0.429922 0.929922 0.500000 F\n0.070078 0.570078 0.500000 F\n0.570078 0.070078 0.500000 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Yb",
"S",
"F"
],
"chemical_system": "F-S-Yb",
"density": 7.948954587830698,
"density_atomic": 0.06535179144533731,
"volume": 137.7161941693356,
"volume_molar": 9.214958957991447,
"formula_full": "Yb3 S2 F4",
"formula_reduced": "Yb3(SF2)2",
"formula_anonymous": "A2B3C4",
"energy": -51.33006139999999,
"energy_per_atom": -5.703340155555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.476061400000006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8286179,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.253000Z",
"spacegroup": 139
},
{
"id": "mp-1103173",
"created_at": "2022-09-04T14:43:20.358204Z",
"structure_string": "Nb8 Fe2 P2\n1.0\n0.000000 0.000000 5.121313\n6.115573 0.000000 0.000000\n0.000000 6.115573 0.000000\nNb Fe P\n8 2 2\ndirect\n0.500000 0.666382 0.160448 Nb\n0.500000 0.333618 0.839552 Nb\n0.500000 0.839552 0.666382 Nb\n0.500000 0.160448 0.333618 Nb\n0.000000 0.333618 0.160448 Nb\n0.000000 0.666382 0.839552 Nb\n0.000000 0.160448 0.666382 Nb\n0.000000 0.839552 0.333618 Nb\n0.250000 0.000000 0.000000 Fe\n0.750000 0.000000 0.000000 Fe\n0.250000 0.500000 0.500000 P\n0.750000 0.500000 0.500000 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"P"
],
"chemical_system": "Fe-Nb-P",
"density": 7.948954750402478,
"density_atomic": 0.06265065522401321,
"volume": 191.53830007192886,
"volume_molar": 9.612255033035614,
"formula_full": "Nb8 Fe2 P2",
"formula_reduced": "Nb4FeP",
"formula_anonymous": "ABC4",
"energy": -113.08221942,
"energy_per_atom": -9.423518285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.08221942,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00856,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.203000Z",
"spacegroup": 124
},
{
"id": "mp-1103578",
"created_at": "2022-09-04T14:40:55.107003Z",
"structure_string": "Nd4 Ga4 Co4\n1.0\n4.324356 0.000000 0.000000\n0.000000 7.058111 0.000000\n0.000000 0.000000 7.471169\nNd Ga Co\n4 4 4\ndirect\n0.250000 0.020751 0.810634 Nd\n0.250000 0.520751 0.689366 Nd\n0.750000 0.979249 0.189366 Nd\n0.750000 0.479249 0.310634 Nd\n0.250000 0.166115 0.422431 Ga\n0.250000 0.666115 0.077569 Ga\n0.750000 0.833885 0.577569 Ga\n0.750000 0.333885 0.922431 Ga\n0.250000 0.803247 0.396717 Co\n0.250000 0.303247 0.103283 Co\n0.750000 0.196753 0.603283 Co\n0.750000 0.696753 0.896717 Co\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Co"
],
"chemical_system": "Co-Ga-Nd",
"density": 7.948977501019867,
"density_atomic": 0.05262386740127484,
"volume": 228.03341131308213,
"volume_molar": 11.443744174252975,
"formula_full": "Nd4 Ga4 Co4",
"formula_reduced": "NdGaCo",
"formula_anonymous": "ABC",
"energy": -64.20622019,
"energy_per_atom": -5.350518349166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.20622019,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0128952,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.738000Z",
"spacegroup": 62
},
{
"id": "mp-1222126",
"created_at": "2022-09-04T14:39:25.958206Z",
"structure_string": "Mn3 Co4 Ge6\n1.0\n2.546201 -4.368201 0.000000\n2.546201 4.368201 0.000000\n0.000000 0.000000 7.854421\nMn Co Ge\n3 4 6\ndirect\n0.000000 0.000000 0.001312 Mn\n0.000000 0.500000 0.248843 Mn\n0.500000 0.000000 0.248843 Mn\n0.500000 0.500000 0.248836 Co\n0.000000 0.500000 0.749913 Co\n0.500000 0.000000 0.749913 Co\n0.500000 0.500000 0.749543 Co\n0.334562 0.665438 0.992611 Ge\n0.665438 0.334562 0.992611 Ge\n0.000000 0.000000 0.333145 Ge\n0.000000 0.000000 0.669693 Ge\n0.334545 0.665455 0.507330 Ge\n0.665455 0.334545 0.507330 Ge\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Mn",
"density": 7.9490798098469035,
"density_atomic": 0.07440530177004219,
"volume": 174.71873227768012,
"volume_molar": 8.09369845526881,
"formula_full": "Mn3 Co4 Ge6",
"formula_reduced": "Mn3(Co2Ge3)2",
"formula_anonymous": "A3B4C6",
"energy": -85.5860722,
"energy_per_atom": -6.583544015384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.5860722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.0485532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.901000Z",
"spacegroup": 35
},
{
"id": "mp-1216020",
"created_at": "2022-09-04T14:41:29.005682Z",
"structure_string": "Zn35 Cu17\n1.0\n7.685582 0.000000 0.000000\n2.543089 7.255150 0.000000\n0.016346 0.008922 12.623700\nZn Cu\n35 17\ndirect\n0.215987 0.000119 0.999434 Zn\n0.716947 0.499427 0.500363 Zn\n0.499957 0.283966 0.500503 Zn\n0.002578 0.782416 0.997540 Zn\n0.894644 0.105284 0.889839 Zn\n0.395408 0.604953 0.390843 Zn\n0.394855 0.605240 0.609828 Zn\n0.895784 0.108378 0.108914 Zn\n0.344734 0.273329 0.999273 Zn\n0.844634 0.773603 0.500363 Zn\n0.486341 0.862406 0.861499 Zn\n0.986544 0.362433 0.362391 Zn\n0.986592 0.362139 0.638026 Zn\n0.481436 0.863221 0.137061 Zn\n0.226296 0.155513 0.500277 Zn\n0.725426 0.654019 0.997695 Zn\n0.637708 0.013493 0.638058 Zn\n0.141203 0.510635 0.137676 Zn\n0.138149 0.512945 0.861287 Zn\n0.636091 0.015669 0.364067 Zn\n0.962615 0.037548 0.689366 Zn\n0.462449 0.537984 0.189667 Zn\n0.827873 0.450408 0.823723 Zn\n0.327557 0.951050 0.324387 Zn\n0.548763 0.172486 0.823693 Zn\n0.053364 0.670192 0.326656 Zn\n0.462421 0.537472 0.810304 Zn\n0.964184 0.039663 0.311918 Zn\n0.048979 0.672507 0.675698 Zn\n0.546424 0.175720 0.175719 Zn\n0.327648 0.951311 0.675746 Zn\n0.827782 0.447611 0.175785 Zn\n0.820142 0.819914 0.179696 Zn\n0.640336 0.359308 0.999731 Zn\n0.140519 0.859502 0.500335 Zn\n0.678794 0.678713 0.678280 Cu\n0.178904 0.178371 0.178440 Cu\n0.178646 0.178900 0.821746 Cu\n0.678736 0.678397 0.321973 Cu\n0.356852 0.643394 0.000112 Cu\n0.856445 0.143427 0.500019 Cu\n0.820977 0.821413 0.821900 Cu\n0.321129 0.321256 0.321751 Cu\n0.321179 0.321243 0.678364 Cu\n0.655368 0.001342 0.000191 Cu\n0.155621 0.501106 0.500401 Cu\n0.998629 0.345259 0.999873 Cu\n0.498436 0.844585 0.499889 Cu\n0.672256 0.327715 0.672010 Cu\n0.170830 0.827670 0.172099 Cu\n0.172696 0.827500 0.827692 Cu\n0.672136 0.327844 0.327899 Cu\n",
"nsites": 52,
"nelements": 2,
"elements": [
"Zn",
"Cu"
],
"chemical_system": "Cu-Zn",
"density": 7.949086791257229,
"density_atomic": 0.07387432439313786,
"volume": 703.8981463068411,
"volume_molar": 8.151872534159368,
"formula_full": "Zn35 Cu17",
"formula_reduced": "Zn35Cu17",
"formula_anonymous": "A17B35",
"energy": -119.04141944,
"energy_per_atom": -2.289258066153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.04141944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0438016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.093000Z",
"spacegroup": 1
},
{
"id": "mp-1225093",
"created_at": "2022-09-04T14:39:15.636811Z",
"structure_string": "Er2 Cr1 Ge4\n1.0\n0.000000 0.000000 4.288399\n4.315270 0.000000 0.000000\n2.157635 7.642966 0.000000\nEr Cr Ge\n2 1 4\ndirect\n0.250000 0.598609 0.802783 Er\n0.750000 0.396637 0.206726 Er\n0.250000 0.792726 0.414548 Cr\n0.250000 0.947519 0.104962 Ge\n0.750000 0.058196 0.883608 Ge\n0.250000 0.241960 0.516079 Ge\n0.750000 0.747153 0.505694 Ge\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Cr",
"Ge"
],
"chemical_system": "Cr-Er-Ge",
"density": 7.949141189981376,
"density_atomic": 0.049491766157658997,
"volume": 141.4376681911306,
"volume_molar": 12.167964951616614,
"formula_full": "Er2 Cr1 Ge4",
"formula_reduced": "Er2CrGe4",
"formula_anonymous": "AB2C4",
"energy": -40.38317018,
"energy_per_atom": -5.769024311428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.38317018,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.001000Z",
"spacegroup": 38
}
]
}