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=is_magnetic&page=10378",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=10376",
"results": [
{
"id": "mp-27468",
"created_at": "2022-09-04T14:45:31.325963Z",
"structure_string": "U2 Bi1 N2\n1.0\n-1.949858 1.949858 6.297760\n1.949858 -1.949858 6.297760\n1.949858 1.949858 -6.297760\nU Bi N\n2 1 2\ndirect\n0.339856 0.339856 0.000000 U\n0.660145 0.660145 0.000000 U\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 N\n0.750000 0.250000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Bi",
"N"
],
"chemical_system": "Bi-N-U",
"density": 12.362832965799322,
"density_atomic": 0.05220570169810452,
"volume": 95.77497931000015,
"volume_molar": 11.535408133818171,
"formula_full": "U2 Bi1 N2",
"formula_reduced": "U2BiN2",
"formula_anonymous": "AB2C2",
"energy": -49.465,
"energy_per_atom": -9.893,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0172809,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.067000Z",
"spacegroup": 139
},
{
"id": "mp-1204314",
"created_at": "2022-09-04T14:45:32.553544Z",
"structure_string": "Gd16 B48 O96\n1.0\n0.000000 7.481376 0.000000\n0.000000 -0.000000 12.415241\n16.171564 0.000000 0.000000\nGd B O\n16 48 96\ndirect\n0.250000 0.566988 0.671652 Gd\n0.250000 0.933012 0.171652 Gd\n0.750000 0.433012 0.328348 Gd\n0.750000 0.066988 0.828348 Gd\n0.750000 0.492686 0.620382 Gd\n0.750000 0.007314 0.120382 Gd\n0.250000 0.507314 0.379618 Gd\n0.250000 0.992686 0.879618 Gd\n0.250000 0.912407 0.548037 Gd\n0.250000 0.587593 0.048037 Gd\n0.750000 0.087593 0.451963 Gd\n0.750000 0.412407 0.951963 Gd\n0.750000 0.770621 0.627516 Gd\n0.750000 0.729379 0.127516 Gd\n0.250000 0.229379 0.372484 Gd\n0.250000 0.270621 0.872484 Gd\n0.929472 0.686250 0.782798 B\n0.570528 0.813750 0.282798 B\n0.429472 0.313750 0.217202 B\n0.070528 0.186250 0.717202 B\n0.070528 0.313750 0.217202 B\n0.429472 0.186250 0.717202 B\n0.570528 0.686250 0.782798 B\n0.929472 0.813750 0.282798 B\n0.926729 0.845509 0.441860 B\n0.573271 0.654491 0.941860 B\n0.426729 0.154491 0.558140 B\n0.073271 0.345509 0.058140 B\n0.073271 0.154491 0.558140 B\n0.426729 0.345509 0.058140 B\n0.573271 0.845509 0.441860 B\n0.926729 0.654491 0.941860 B\n0.061278 0.679185 0.530069 B\n0.438722 0.820815 0.030069 B\n0.561278 0.320815 0.469931 B\n0.938722 0.179185 0.969931 B\n0.938722 0.320815 0.469931 B\n0.561278 0.179185 0.969931 B\n0.438722 0.679185 0.530069 B\n0.061278 0.820815 0.030069 B\n0.923631 0.017545 0.653834 B\n0.576369 0.482455 0.153834 B\n0.423631 0.982455 0.346166 B\n0.076369 0.517545 0.846166 B\n0.076369 0.982455 0.346166 B\n0.423631 0.517545 0.846166 B\n0.576369 0.017545 0.653834 B\n0.923631 0.482455 0.153834 B\n0.077071 0.355496 0.610262 B\n0.422929 0.144504 0.110262 B\n0.577071 0.644504 0.389738 B\n0.922929 0.855496 0.889738 B\n0.922929 0.644504 0.389738 B\n0.577071 0.855496 0.889738 B\n0.422929 0.355496 0.610262 B\n0.077071 0.144504 0.110262 B\n0.931131 0.370668 0.757196 B\n0.568869 0.129332 0.257196 B\n0.431131 0.629332 0.242804 B\n0.068869 0.870668 0.742804 B\n0.068869 0.629332 0.242804 B\n0.431131 0.870668 0.742804 B\n0.568869 0.370668 0.757196 B\n0.931131 0.129332 0.257196 B\n0.750000 0.962224 0.660003 O\n0.750000 0.537776 0.160003 O\n0.250000 0.037776 0.339997 O\n0.250000 0.462224 0.839997 O\n0.061239 0.600791 0.781940 O\n0.438761 0.899209 0.281940 O\n0.561239 0.399209 0.218060 O\n0.938761 0.100791 0.718060 O\n0.938761 0.399209 0.218060 O\n0.561239 0.100791 0.718060 O\n0.438761 0.600791 0.781940 O\n0.061239 0.899209 0.281940 O\n0.054868 0.932631 0.428804 O\n0.445132 0.567369 0.928804 O\n0.554868 0.067369 0.571196 O\n0.945132 0.432631 0.071196 O\n0.945132 0.067369 0.571196 O\n0.554868 0.432631 0.071196 O\n0.445132 0.932631 0.428804 O\n0.054868 0.567369 0.928804 O\n0.937209 0.376266 0.549067 O\n0.562791 0.123734 0.049067 O\n0.437209 0.623734 0.450933 O\n0.062791 0.876266 0.950933 O\n0.062791 0.623734 0.450933 O\n0.437209 0.876266 0.950933 O\n0.562791 0.376266 0.549067 O\n0.937209 0.123734 0.049067 O\n0.926813 0.734171 0.870631 O\n0.573187 0.765829 0.370631 O\n0.426813 0.265829 0.129369 O\n0.073187 0.234171 0.629369 O\n0.073187 0.265829 0.129369 O\n0.426813 0.234171 0.629369 O\n0.573187 0.734171 0.870631 O\n0.926813 0.765829 0.370631 O\n0.033726 0.420473 0.684967 O\n0.466274 0.079527 0.184967 O\n0.533726 0.579527 0.315033 O\n0.966274 0.920473 0.815033 O\n0.966274 0.579527 0.315033 O\n0.533726 0.920473 0.815033 O\n0.466274 0.420473 0.684967 O\n0.033726 0.079527 0.184967 O\n0.250000 0.697547 0.562667 O\n0.250000 0.802453 0.062667 O\n0.750000 0.302453 0.437333 O\n0.750000 0.197547 0.937333 O\n0.750000 0.361802 0.725038 O\n0.750000 0.138198 0.225038 O\n0.250000 0.638198 0.274962 O\n0.250000 0.861802 0.774962 O\n0.961070 0.624646 0.594616 O\n0.538930 0.875354 0.094616 O\n0.461070 0.375354 0.405384 O\n0.038930 0.124646 0.905384 O\n0.038930 0.375354 0.405384 O\n0.461070 0.124646 0.905384 O\n0.538930 0.624646 0.594616 O\n0.961070 0.875354 0.094616 O\n0.062416 0.934201 0.665641 O\n0.437584 0.565799 0.165641 O\n0.562416 0.065799 0.334359 O\n0.937584 0.434201 0.834359 O\n0.937584 0.065799 0.334359 O\n0.562416 0.434201 0.834359 O\n0.437584 0.934201 0.665641 O\n0.062416 0.565799 0.165641 O\n0.250000 0.392083 0.579336 O\n0.250000 0.107917 0.079336 O\n0.750000 0.607917 0.420664 O\n0.750000 0.892083 0.920664 O\n0.750000 0.646926 0.755069 O\n0.750000 0.853074 0.255069 O\n0.250000 0.353074 0.244931 O\n0.250000 0.146926 0.744931 O\n0.250000 0.104519 0.548339 O\n0.250000 0.395481 0.048339 O\n0.750000 0.895481 0.451661 O\n0.750000 0.604519 0.951661 O\n0.980491 0.791259 0.519473 O\n0.519509 0.708741 0.019473 O\n0.480491 0.208741 0.480527 O\n0.019509 0.291259 0.980527 O\n0.019509 0.208741 0.480527 O\n0.480491 0.291259 0.980527 O\n0.519509 0.791259 0.519473 O\n0.980491 0.708741 0.019473 O\n0.982610 0.768767 0.724364 O\n0.517390 0.731233 0.224364 O\n0.482610 0.231233 0.275636 O\n0.017390 0.268767 0.775636 O\n0.017390 0.231233 0.275636 O\n0.482610 0.268767 0.775636 O\n0.517390 0.768767 0.724364 O\n0.982610 0.731233 0.224364 O\n",
"nsites": 160,
"nelements": 3,
"elements": [
"Gd",
"B",
"O"
],
"chemical_system": "B-Gd-O",
"density": 5.053116893572809,
"density_atomic": 0.10652004036813839,
"volume": 1502.0647706012155,
"volume_molar": 5.653528424498519,
"formula_full": "Gd16 B48 O96",
"formula_reduced": "Gd(BO2)3",
"formula_anonymous": "AB3C6",
"energy": -1528.8931459700002,
"energy_per_atom": -9.5555821623125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1462.94114597,
"band_gap": 2.5524,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 112.0000548,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:04.888000Z",
"spacegroup": 62
},
{
"id": "mp-1227653",
"created_at": "2022-09-04T14:45:31.570767Z",
"structure_string": "Ca4 Be4 P4 O17 F3\n1.0\n4.838516 0.000000 0.000000\n0.002979 7.762739 0.000000\n0.116169 0.008989 9.805895\nCa Be P O F\n4 4 4 17 3\ndirect\n0.002937 0.387341 0.831453 Ca\n0.997996 0.884869 0.670476 Ca\n0.996021 0.611309 0.168989 Ca\n0.005098 0.111126 0.330361 Ca\n0.457364 0.085513 0.839311 Be\n0.540957 0.586523 0.661661 Be\n0.541215 0.913983 0.161323 Be\n0.459234 0.414161 0.338505 Be\n0.528430 0.230955 0.582549 P\n0.471356 0.729752 0.918609 P\n0.472554 0.770172 0.418036 P\n0.526272 0.270284 0.081879 P\n0.326048 0.154925 0.693124 O\n0.674237 0.654902 0.807268 O\n0.675757 0.845456 0.307033 O\n0.324351 0.344892 0.193797 O\n0.661617 0.394310 0.645973 O\n0.333962 0.892184 0.854801 O\n0.339063 0.607244 0.353058 O\n0.661846 0.106920 0.145832 O\n0.757147 0.103480 0.542511 O\n0.245748 0.602148 0.960858 O\n0.245561 0.897481 0.459224 O\n0.753247 0.397426 0.040869 O\n0.347838 0.217227 0.958009 O\n0.647545 0.717803 0.543449 O\n0.648319 0.782882 0.043201 O\n0.353962 0.281246 0.456473 O\n0.788583 0.095306 0.818266 O\n0.215322 0.590771 0.672843 F\n0.215290 0.909017 0.172970 F\n0.785125 0.408391 0.327290 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Ca",
"Be",
"P",
"O",
"F"
],
"chemical_system": "Be-Ca-F-O-P",
"density": 2.927119732858393,
"density_atomic": 0.08688315312143156,
"volume": 368.31075818893737,
"volume_molar": 6.931310091362823,
"formula_full": "Ca4 Be4 P4 O17 F3",
"formula_reduced": "Ca4Be4P4O17F3",
"formula_anonymous": "A3B4C4D4E17",
"energy": -237.29684202,
"energy_per_atom": -7.415526313125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.23184202,
"band_gap": 0.7892999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.999824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.978000Z",
"spacegroup": 1
},
{
"id": "mp-1219335",
"created_at": "2022-09-04T14:45:31.614885Z",
"structure_string": "Sm1 Fe10 Mo2\n1.0\n0.000000 0.000000 4.765784\n-4.320474 4.280089 2.382892\n-4.320474 -4.280089 -2.382892\nSm Fe Mo\n1 10 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.000000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.721227 0.778773 0.221227 Fe\n0.278773 0.221227 0.778773 Fe\n0.500000 0.771812 0.771812 Fe\n0.500000 0.228188 0.228188 Fe\n0.641554 0.358446 0.641554 Fe\n0.358446 0.641554 0.358446 Fe\n0.000000 0.359241 0.359241 Mo\n0.000000 0.640759 0.640759 Mo\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sm",
"Fe",
"Mo"
],
"chemical_system": "Fe-Mo-Sm",
"density": 8.485469799617016,
"density_atomic": 0.07375556699351227,
"volume": 176.25788167479635,
"volume_molar": 8.16499825773114,
"formula_full": "Sm1 Fe10 Mo2",
"formula_reduced": "Sm(Fe5Mo)2",
"formula_anonymous": "AB2C10",
"energy": -110.9159189,
"energy_per_atom": -8.53199376153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -110.9159189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.9518609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.947000Z",
"spacegroup": 71
},
{
"id": "mp-1046512",
"created_at": "2022-09-04T14:45:31.630220Z",
"structure_string": "Ba2 Ca2 Tl2 Ni3 O10\n1.0\n-3.851800 0.000000 0.000000\n-0.001601 -3.908977 0.000000\n1.861986 1.899411 18.680045\nBa Ca Tl Ni O\n2 2 2 3 10\ndirect\n0.835938 0.905071 0.718802 Ba\n0.166792 0.204644 0.281852 Ba\n0.063122 0.119814 0.087791 Ca\n0.935774 0.013772 0.912891 Ca\n0.277988 0.358286 0.562873 Tl\n0.728284 0.799875 0.437807 Tl\n0.612594 0.656973 0.172327 Ni\n0.387619 0.466157 0.828888 Ni\n0.491042 0.575563 0.001851 Ni\n0.115186 0.658683 0.177378 O\n0.686945 0.716433 0.327144 O\n0.609453 0.155032 0.168695 O\n0.233323 0.180487 0.451613 O\n0.481248 0.072259 0.993568 O\n0.383494 0.963282 0.822401 O\n0.318479 0.375430 0.673418 O\n0.889592 0.470651 0.834247 O\n0.772805 0.725748 0.548899 O\n0.992358 0.580753 0.006593 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ba-Ca-Ni-O-Tl",
"density": 6.4923082248978625,
"density_atomic": 0.0675536530343894,
"volume": 281.2579208755404,
"volume_molar": 8.914604154618141,
"formula_full": "Ba2 Ca2 Tl2 Ni3 O10",
"formula_reduced": "Ba2Ca2Tl2Ni3O10",
"formula_anonymous": "A2B2C2D3E10",
"energy": -114.4264014,
"energy_per_atom": -6.022442178947369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.93340139999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.11487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.113000Z",
"spacegroup": 1
},
{
"id": "mp-1238037",
"created_at": "2022-09-04T14:45:31.791804Z",
"structure_string": "Be4 Co2 H12 N4 F16\n1.0\n13.284585 0.000000 0.000000\n0.000000 5.959005 0.000000\n0.000000 1.104184 6.303795\nBe Co H N F\n4 2 12 4 16\ndirect\n0.403763 0.666125 0.963802 Be\n0.596237 0.333875 0.036198 Be\n0.903763 0.333875 0.536198 Be\n0.096237 0.666125 0.463802 Be\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.469094 0.731672 0.634791 H\n0.530906 0.268328 0.365209 H\n0.969094 0.268328 0.865209 H\n0.030906 0.731672 0.134791 H\n0.108020 0.357929 0.003802 H\n0.891980 0.642071 0.996198 H\n0.608020 0.642071 0.496198 H\n0.391980 0.357929 0.503802 H\n0.378333 0.456861 0.570433 H\n0.621667 0.543139 0.429567 H\n0.878333 0.543139 0.929567 H\n0.121667 0.456861 0.070433 H\n0.661464 0.961757 0.880914 N\n0.338536 0.038243 0.119086 N\n0.161464 0.038243 0.619086 N\n0.838536 0.961757 0.380914 N\n0.174155 0.989280 0.828825 F\n0.825845 0.010720 0.171175 F\n0.674155 0.010720 0.671175 F\n0.325845 0.989280 0.328825 F\n0.451489 0.829860 0.753648 F\n0.548511 0.170140 0.246352 F\n0.951489 0.170140 0.746352 F\n0.048511 0.829860 0.253648 F\n0.030090 0.645496 0.649261 F\n0.969910 0.354504 0.350739 F\n0.530090 0.354504 0.850739 F\n0.469910 0.645496 0.149261 F\n0.311296 0.561714 0.921976 F\n0.688704 0.438286 0.078024 F\n0.811296 0.438286 0.578024 F\n0.188704 0.561714 0.421976 F\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Be",
"Co",
"H",
"N",
"F"
],
"chemical_system": "Be-Co-F-H-N",
"density": 1.7503328214183054,
"density_atomic": 0.07614822306500398,
"volume": 499.0267463964494,
"volume_molar": 7.908445552116426,
"formula_full": "Be4 Co2 H12 N4 F16",
"formula_reduced": "Be2CoH6(NF4)2",
"formula_anonymous": "AB2C2D6E8",
"energy": -173.16018082999997,
"energy_per_atom": -4.556846863947368,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.34418083,
"band_gap": 0.1337999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0035902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.801000Z",
"spacegroup": 14
},
{
"id": "mp-777354",
"created_at": "2022-09-04T14:45:31.595596Z",
"structure_string": "Mn8 O8 F8\n1.0\n6.248373 0.000000 0.000000\n0.000000 4.673206 0.000000\n0.000000 0.048488 9.389262\nMn O F\n8 8 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.750281 0.471974 0.763536 Mn\n0.250281 0.528026 0.736464 Mn\n0.749719 0.471974 0.263536 Mn\n0.249719 0.528026 0.236464 Mn\n0.248071 0.823670 0.587195 O\n0.251929 0.823670 0.087195 O\n0.000203 0.683504 0.840444 O\n0.499797 0.683504 0.340444 O\n0.500203 0.316496 0.659556 O\n0.999797 0.316496 0.159556 O\n0.748071 0.176330 0.912805 O\n0.751929 0.176330 0.412805 O\n0.751712 0.777333 0.610695 F\n0.748288 0.777333 0.110695 F\n0.500410 0.709837 0.855610 F\n0.999590 0.709837 0.355610 F\n0.000410 0.290163 0.644390 F\n0.499590 0.290163 0.144390 F\n0.251712 0.222667 0.889305 F\n0.248288 0.222667 0.389305 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.357712645561605,
"density_atomic": 0.08753826025162094,
"volume": 274.16583252870385,
"volume_molar": 6.879438479460172,
"formula_full": "Mn8 O8 F8",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy": -183.89424997,
"energy_per_atom": -7.662260415416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.35824997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0038477,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.690000Z",
"spacegroup": 14
},
{
"id": "mp-2070",
"created_at": "2022-09-04T14:45:31.883244Z",
"structure_string": "Co4 S8\n1.0\n5.506401 0.000000 0.000000\n0.000000 5.506401 0.000000\n0.000000 0.000000 5.506401\nCo S\n4 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.387893 0.112107 0.887893 S\n0.112107 0.887893 0.387893 S\n0.887893 0.387893 0.112107 S\n0.612107 0.612107 0.612107 S\n0.387893 0.387893 0.387893 S\n0.112107 0.612107 0.887893 S\n0.887893 0.112107 0.612107 S\n0.612107 0.887893 0.112107 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"S"
],
"chemical_system": "Co-S",
"density": 4.895913866758207,
"density_atomic": 0.07187498048781232,
"volume": 166.95656706348342,
"volume_molar": 8.378632897188975,
"formula_full": "Co4 S8",
"formula_reduced": "CoS2",
"formula_anonymous": "AB2",
"energy": -69.83606826,
"energy_per_atom": -5.819672355000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.81206826,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0157476,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.464000Z",
"spacegroup": 205
},
{
"id": "mp-865685",
"created_at": "2022-09-04T14:45:32.145765Z",
"structure_string": "Eu6 P2\n1.0\n3.504646 -6.070225 0.000000\n3.504646 6.070225 0.000000\n0.000000 0.000000 5.244326\nEu P\n6 2\ndirect\n0.179692 0.359384 0.250000 Eu\n0.640616 0.820308 0.250000 Eu\n0.179692 0.820308 0.250000 Eu\n0.820308 0.640616 0.750000 Eu\n0.359384 0.179692 0.750000 Eu\n0.820308 0.179692 0.750000 Eu\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"P"
],
"chemical_system": "Eu-P",
"density": 7.246356653085958,
"density_atomic": 0.03585265852161253,
"volume": 223.1354753003178,
"volume_molar": 16.796915510100213,
"formula_full": "Eu6 P2",
"formula_reduced": "Eu3P",
"formula_anonymous": "AB3",
"energy": -75.83267265,
"energy_per_atom": -9.47908408125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.83267265,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 44.7932768,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.602000Z",
"spacegroup": 194
},
{
"id": "mp-973533",
"created_at": "2022-09-04T14:45:32.166227Z",
"structure_string": "Fe1 Ag3\n1.0\n0.000000 3.233659 3.233659\n3.233659 0.000000 3.233659\n3.233659 3.233659 0.000000\nFe Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n0.500000 0.500000 0.500000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ag"
],
"chemical_system": "Ag-Fe",
"density": 9.317309897664911,
"density_atomic": 0.05914899025079457,
"volume": 67.62583744946122,
"volume_molar": 10.181307803338372,
"formula_full": "Fe1 Ag3",
"formula_reduced": "FeAg3",
"formula_anonymous": "AB3",
"energy": -15.58060157,
"energy_per_atom": -3.8951503925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.58060157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1663876,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.004000Z",
"spacegroup": 225
},
{
"id": "mp-7003",
"created_at": "2022-09-04T14:45:32.186163Z",
"structure_string": "Ce2 P2 Pd2\n1.0\n2.105645 -3.647085 0.000000\n2.105645 3.647085 0.000000\n0.000000 0.000000 7.863398\nCe P Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.750000 P\n0.666667 0.333333 0.250000 P\n0.333333 0.666667 0.250000 Pd\n0.666667 0.333333 0.750000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"P",
"Pd"
],
"chemical_system": "Ce-P-Pd",
"density": 7.631081047615146,
"density_atomic": 0.04967981368048726,
"volume": 120.77339980758865,
"volume_molar": 12.121906895084262,
"formula_full": "Ce2 P2 Pd2",
"formula_reduced": "CePPd",
"formula_anonymous": "ABC",
"energy": -40.28523784,
"energy_per_atom": -6.714206306666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.28523784,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9983583,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.491000Z",
"spacegroup": 194
},
{
"id": "mp-1041793",
"created_at": "2022-09-04T14:45:32.535040Z",
"structure_string": "Ca4 Cu8 O16\n1.0\n5.143619 0.000000 0.000000\n0.000000 5.913675 0.000000\n0.000000 0.000000 10.979261\nCa Cu O\n4 8 16\ndirect\n0.855180 0.000000 0.500000 Ca\n0.144820 0.500000 0.000000 Ca\n0.533693 0.000000 0.000000 Ca\n0.466307 0.500000 0.500000 Ca\n0.505358 0.500000 0.239909 Cu\n0.505358 0.500000 0.760091 Cu\n0.494642 0.000000 0.260091 Cu\n0.494642 0.000000 0.739909 Cu\n0.000000 0.250000 0.250000 Cu\n0.000000 0.750000 0.750000 Cu\n0.000000 0.750000 0.250000 Cu\n0.000000 0.250000 0.750000 Cu\n0.839525 0.500000 0.152142 O\n0.839525 0.500000 0.847858 O\n0.160475 0.000000 0.347858 O\n0.160475 0.000000 0.652142 O\n0.175738 0.500000 0.339119 O\n0.175738 0.500000 0.660881 O\n0.824262 0.000000 0.160881 O\n0.824262 0.000000 0.839119 O\n0.664988 0.253787 0.353529 O\n0.664988 0.746213 0.646471 O\n0.335012 0.753787 0.146471 O\n0.335012 0.246213 0.853529 O\n0.335012 0.246213 0.146471 O\n0.335012 0.753787 0.853529 O\n0.664988 0.746213 0.353529 O\n0.664988 0.253787 0.646471 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.597658378517138,
"density_atomic": 0.08384142999267327,
"volume": 333.9637694925631,
"volume_molar": 7.182774387944317,
"formula_full": "Ca4 Cu8 O16",
"formula_reduced": "Ca(CuO2)2",
"formula_anonymous": "AB2C4",
"energy": -162.85869115999998,
"energy_per_atom": -5.816381827142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.86669116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.7612446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.663000Z",
"spacegroup": 59
}
]
}