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=nelements&page=107",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=105",
"results": [
{
"id": "mp-1185791",
"created_at": "2022-09-04T14:43:53.446307Z",
"structure_string": "Mg4 Ni2\n1.0\n-3.110171 3.110171 2.646501\n3.110171 -3.110171 2.646501\n3.110171 3.110171 -2.646501\nMg Ni\n4 2\ndirect\n0.676533 0.823467 0.500000 Mg\n0.323467 0.176533 0.500000 Mg\n0.176533 0.676533 0.853065 Mg\n0.823467 0.323467 0.146935 Mg\n0.250000 0.250000 0.000000 Ni\n0.750000 0.750000 0.000000 Ni\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni",
"density": 3.4801021145716824,
"density_atomic": 0.05859366469384989,
"volume": 102.4001490835198,
"volume_molar": 10.277801860432353,
"formula_full": "Mg4 Ni2",
"formula_reduced": "Mg2Ni",
"formula_anonymous": "AB2",
"energy": -18.99339647,
"energy_per_atom": -3.1655660783333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.99339647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.79e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.579000Z",
"spacegroup": 140
},
{
"id": "mp-1095567",
"created_at": "2022-09-04T14:43:52.778578Z",
"structure_string": "Er4 Mn8\n1.0\n-4.358787 -2.632550 -0.124588\n-4.358787 2.632550 -0.124588\n-0.306306 0.000000 -8.337024\nEr Mn\n4 8\ndirect\n0.669410 0.669410 0.938453 Er\n0.330590 0.330590 0.061547 Er\n0.334294 0.334294 0.436511 Er\n0.665706 0.665706 0.563489 Er\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.168002 0.168002 0.754544 Mn\n0.831998 0.831998 0.245456 Mn\n0.329411 0.839953 0.255635 Mn\n0.839953 0.329411 0.255635 Mn\n0.670589 0.160047 0.744365 Mn\n0.160047 0.670589 0.744365 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Er",
"Mn"
],
"chemical_system": "Er-Mn",
"density": 9.63104921544201,
"density_atomic": 0.06278476038013384,
"volume": 191.1291836959372,
"volume_molar": 9.59172372967359,
"formula_full": "Er4 Mn8",
"formula_reduced": "ErMn2",
"formula_anonymous": "AB2",
"energy": -90.8454105,
"energy_per_atom": -7.570450875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.8454105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0155462,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:21.879000Z",
"spacegroup": 12
},
{
"id": "mp-581693",
"created_at": "2022-09-04T14:44:59.720939Z",
"structure_string": "Bi12 S12\n1.0\n0.000000 11.690662 18.026388\n2.838813 0.000000 18.026388\n2.838813 11.690662 0.000000\nBi S\n12 12\ndirect\n0.349485 0.734842 0.283101 Bi\n0.501179 0.916352 0.132293 Bi\n0.450176 0.132293 0.916352 Bi\n0.673633 0.073350 0.959509 Bi\n0.265158 0.650515 0.367429 Bi\n0.293509 0.959509 0.073350 Bi\n0.040491 0.706491 0.326367 Bi\n0.867707 0.549824 0.498821 Bi\n0.083648 0.498821 0.549824 Bi\n0.716899 0.367429 0.650515 Bi\n0.926650 0.326367 0.706491 Bi\n0.632571 0.283101 0.734842 Bi\n0.743565 0.154114 0.863603 S\n0.416430 0.848596 0.188579 S\n0.238718 0.863603 0.154114 S\n0.136397 0.761282 0.256435 S\n0.151404 0.583570 0.453606 S\n0.845886 0.256435 0.761282 S\n0.568206 0.010991 0.039099 S\n0.381704 0.039099 0.010991 S\n0.811421 0.453606 0.583570 S\n0.546394 0.188579 0.848596 S\n0.989009 0.431794 0.618296 S\n0.960901 0.618296 0.431794 S\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Bi",
"S"
],
"chemical_system": "Bi-S",
"density": 4.014344054723682,
"density_atomic": 0.02005841635224692,
"volume": 1196.5052264612877,
"volume_molar": 30.023012057606465,
"formula_full": "Bi12 S12",
"formula_reduced": "BiS",
"formula_anonymous": "AB",
"energy": -103.67815242,
"energy_per_atom": -4.3199230175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.64215242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074198,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.977000Z",
"spacegroup": 42
},
{
"id": "mp-1185067",
"created_at": "2022-09-04T14:44:59.673166Z",
"structure_string": "K3 Co1\n1.0\n-2.954634 2.954634 5.326168\n2.954634 -2.954634 5.326168\n2.954634 2.954634 -5.326168\nK Co\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Co"
],
"chemical_system": "Co-K",
"density": 1.5734103748939097,
"density_atomic": 0.021506897079333363,
"volume": 185.98684809087234,
"volume_molar": 28.000974467799264,
"formula_full": "K3 Co1",
"formula_reduced": "K3Co",
"formula_anonymous": "AB3",
"energy": -7.18192821,
"energy_per_atom": -1.7954820525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.18192821,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.8187976,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.083000Z",
"spacegroup": 139
},
{
"id": "mp-1106367",
"created_at": "2022-09-04T14:44:59.678835Z",
"structure_string": "Hg4 S16\n1.0\n9.689377 0.000000 0.000000\n0.000000 12.173387 0.000000\n0.000000 0.000000 13.192519\nHg S\n4 16\ndirect\n0.604632 0.905847 0.250000 Hg\n0.395368 0.094153 0.750000 Hg\n0.895368 0.905847 0.750000 Hg\n0.104632 0.094153 0.250000 Hg\n0.881806 0.475599 0.668874 S\n0.118194 0.524401 0.168874 S\n0.618194 0.475599 0.331126 S\n0.381806 0.524401 0.831126 S\n0.118194 0.524401 0.331126 S\n0.881806 0.475599 0.831126 S\n0.381806 0.524401 0.668874 S\n0.618194 0.475599 0.168874 S\n0.630116 0.626501 0.129865 S\n0.369884 0.373499 0.629865 S\n0.869884 0.626501 0.870135 S\n0.130116 0.373499 0.370135 S\n0.369884 0.373499 0.870135 S\n0.630116 0.626501 0.370135 S\n0.130116 0.373499 0.129865 S\n0.869884 0.626501 0.629865 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Hg",
"S"
],
"chemical_system": "Hg-S",
"density": 1.4036923204144205,
"density_atomic": 0.012852718169663855,
"volume": 1556.0910724087769,
"volume_molar": 46.85499736712504,
"formula_full": "Hg4 S16",
"formula_reduced": "HgS4",
"formula_anonymous": "AB4",
"energy": -71.14870239,
"energy_per_atom": -3.5574351195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.10070239,
"band_gap": 1.0475,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.737000Z",
"spacegroup": 57
},
{
"id": "mp-1244890",
"created_at": "2022-09-04T14:44:59.687000Z",
"structure_string": "Zn50 S50\n1.0\n12.311392 0.849521 0.332694\n0.828394 15.298600 0.796408\n0.285984 0.781466 13.385105\nZn S\n50 50\ndirect\n0.446879 0.902803 0.836750 Zn\n0.448883 0.252349 0.101036 Zn\n0.669199 0.046606 0.937017 Zn\n0.668535 0.325693 0.935201 Zn\n0.059395 0.329773 0.300818 Zn\n0.759559 0.261263 0.569030 Zn\n0.631699 0.840544 0.601994 Zn\n0.902928 0.968620 0.101374 Zn\n0.315676 0.100303 0.598469 Zn\n0.594245 0.783132 0.883048 Zn\n0.616493 0.458160 0.549231 Zn\n0.655246 0.072163 0.190800 Zn\n0.608356 0.577344 0.022063 Zn\n0.976235 0.027931 0.904226 Zn\n0.235063 0.627238 0.934338 Zn\n0.599123 0.405567 0.289506 Zn\n0.118505 0.975702 0.419459 Zn\n0.102161 0.694875 0.211010 Zn\n0.936259 0.058581 0.378882 Zn\n0.190756 0.007736 0.706929 Zn\n0.895006 0.405089 0.898062 Zn\n0.749771 0.232065 0.756931 Zn\n0.798846 0.366402 0.321335 Zn\n0.628655 0.059694 0.474348 Zn\n0.285868 0.111800 0.937773 Zn\n0.241421 0.762950 0.640637 Zn\n0.916534 0.769334 0.725904 Zn\n0.534197 0.746104 0.146722 Zn\n0.842237 0.979269 0.617666 Zn\n0.495808 0.255034 0.802686 Zn\n0.303391 0.821243 0.306402 Zn\n0.974759 0.437092 0.520744 Zn\n0.083760 0.641071 0.506816 Zn\n0.314951 0.261332 0.334053 Zn\n0.194234 0.228104 0.161339 Zn\n0.446813 0.904712 0.430099 Zn\n0.668045 0.249649 0.324017 Zn\n0.538024 0.531029 0.797123 Zn\n0.178587 0.191731 0.699821 Zn\n0.356545 0.508541 0.560234 Zn\n0.485840 0.585409 0.281264 Zn\n0.413194 0.741182 0.819522 Zn\n0.238900 0.389580 0.562735 Zn\n0.978572 0.554167 0.334386 Zn\n0.932351 0.226065 0.668927 Zn\n0.165533 0.860488 0.947610 Zn\n0.995872 0.632022 0.028241 Zn\n0.783932 0.627872 0.828481 Zn\n0.168187 0.306255 0.907496 Zn\n0.994758 0.842657 0.578370 Zn\n0.625414 0.129651 0.795576 S\n0.079179 0.970713 0.039275 S\n0.407720 0.272426 0.475551 S\n0.837521 0.267641 0.906375 S\n0.065069 0.326846 0.648243 S\n0.133280 0.189799 0.018646 S\n0.306249 0.337351 0.174525 S\n0.668156 0.715000 0.029481 S\n0.826514 0.028642 0.234567 S\n0.714967 0.500466 0.886481 S\n0.514194 0.567047 0.634267 S\n0.450338 0.764115 0.640943 S\n0.543798 0.184356 0.247459 S\n0.439233 0.605358 0.917860 S\n0.220751 0.623667 0.608993 S\n0.761945 0.155902 0.448907 S\n0.404732 0.909468 0.624439 S\n0.315822 0.643064 0.207315 S\n0.221782 0.760280 0.818564 S\n0.716586 0.762842 0.739309 S\n0.131839 0.504052 0.989565 S\n0.604478 0.330249 0.671073 S\n0.032011 0.098736 0.756556 S\n0.156225 0.191180 0.330702 S\n0.345457 0.771632 0.147788 S\n0.279180 0.978410 0.864777 S\n0.491045 0.476048 0.416850 S\n0.922339 0.593440 0.496517 S\n0.492034 0.336120 0.945888 S\n0.798052 0.399941 0.488150 S\n0.073593 0.445216 0.869625 S\n0.947312 0.660320 0.860369 S\n0.581473 0.706859 0.311018 S\n0.921222 0.367218 0.196694 S\n0.138340 0.747167 0.360943 S\n0.109660 0.437744 0.388481 S\n0.550826 0.016826 0.072848 S\n0.825161 0.954650 0.949525 S\n0.305336 0.233579 0.806472 S\n0.448654 0.748035 0.405883 S\n0.539724 0.493033 0.152106 S\n0.530014 0.967542 0.683411 S\n0.295452 0.965530 0.340120 S\n0.405383 0.105458 0.070679 S\n0.632977 0.915275 0.442290 S\n0.133380 0.726222 0.040894 S\n0.159000 0.909437 0.593721 S\n0.016759 0.851505 0.396279 S\n0.473327 0.146818 0.538771 S\n0.933873 0.644471 0.195899 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 3.2334153750489234,
"density_atomic": 0.039953387633260035,
"volume": 2502.9166717455746,
"volume_molar": 15.072916507802566,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -331.23095126,
"energy_per_atom": -3.3123095125999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.08095126,
"band_gap": 0.8751000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.116000Z",
"spacegroup": 1
},
{
"id": "mp-1018158",
"created_at": "2022-09-04T14:44:23.981122Z",
"structure_string": "Dy1 Sb2\n1.0\n1.787940 -3.161121 0.000000\n1.787940 3.161121 0.000000\n0.000000 0.000000 7.546370\nDy Sb\n1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.000000 0.674326 Sb\n0.000000 0.500000 0.325674 Sb\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Dy",
"Sb"
],
"chemical_system": "Dy-Sb",
"density": 7.903771446708625,
"density_atomic": 0.035168925818972144,
"volume": 85.30257692379183,
"volume_molar": 17.123470847526743,
"formula_full": "Dy1 Sb2",
"formula_reduced": "DySb2",
"formula_anonymous": "AB2",
"energy": -13.85310161,
"energy_per_atom": -4.617700536666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.46910161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012959,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.401000Z",
"spacegroup": 21
},
{
"id": "mp-861931",
"created_at": "2022-09-04T14:44:59.919488Z",
"structure_string": "Li1 Pt3\n1.0\n3.891034 0.000000 0.000000\n0.000000 3.891034 0.000000\n0.000000 0.000000 3.891034\nLi Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pt"
],
"chemical_system": "Li-Pt",
"density": 16.692342604674284,
"density_atomic": 0.06789924015598454,
"volume": 58.91082125235602,
"volume_molar": 8.869231446722187,
"formula_full": "Li1 Pt3",
"formula_reduced": "LiPt3",
"formula_anonymous": "AB3",
"energy": -21.7860678,
"energy_per_atom": -5.44651695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.7860678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.851000Z",
"spacegroup": 221
},
{
"id": "mp-1216",
"created_at": "2022-09-04T14:44:59.973139Z",
"structure_string": "Yb1 O1\n1.0\n0.000000 2.374530 2.374530\n2.374530 0.000000 2.374530\n2.374530 2.374530 0.000000\nYb O\n1 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"O"
],
"chemical_system": "O-Yb",
"density": 11.722991481629752,
"density_atomic": 0.07469078388426148,
"volume": 26.777065335117353,
"volume_molar": 8.062762829389664,
"formula_full": "Yb1 O1",
"formula_reduced": "YbO",
"formula_anonymous": "AB",
"energy": -13.74699528,
"energy_per_atom": -6.87349764,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.05999528,
"band_gap": 3.4606000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:44.082000Z",
"spacegroup": 225
},
{
"id": "mp-556560",
"created_at": "2022-09-04T14:45:00.102774Z",
"structure_string": "Mn2 F6\n1.0\n2.744902 4.581939 0.000000\n-2.744902 4.581939 0.000000\n0.000000 3.058885 4.532347\nMn F\n2 6\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.674333 0.325667 0.250000 F\n0.325667 0.674333 0.750000 F\n0.839362 0.737607 0.234618 F\n0.262393 0.160638 0.265382 F\n0.160638 0.262393 0.765382 F\n0.737607 0.839362 0.734618 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"F"
],
"chemical_system": "F-Mn",
"density": 3.2606856333644583,
"density_atomic": 0.0701714890188368,
"volume": 114.00641645002693,
"volume_molar": 8.582033592565523,
"formula_full": "Mn2 F6",
"formula_reduced": "MnF3",
"formula_anonymous": "AB3",
"energy": -51.92574984,
"energy_per_atom": -6.49071873,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.81774984,
"band_gap": 0.4936,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9997981,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.038000Z",
"spacegroup": 15
},
{
"id": "mp-862770",
"created_at": "2022-09-04T14:45:00.033992Z",
"structure_string": "Tc6 Ir2\n1.0\n2.769817 -4.797463 0.000000\n2.769817 4.797463 0.000000\n0.000000 0.000000 4.363531\nTc Ir\n6 2\ndirect\n0.838188 0.161812 0.750000 Tc\n0.323625 0.161812 0.750000 Tc\n0.838188 0.676375 0.750000 Tc\n0.161812 0.838188 0.250000 Tc\n0.676375 0.838188 0.250000 Tc\n0.161812 0.323625 0.250000 Tc\n0.666667 0.333333 0.250000 Ir\n0.333333 0.666667 0.750000 Ir\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc",
"density": 13.924463167075954,
"density_atomic": 0.06898572220102986,
"volume": 115.96602521152663,
"volume_molar": 8.729546590019027,
"formula_full": "Tc6 Ir2",
"formula_reduced": "Tc3Ir",
"formula_anonymous": "AB3",
"energy": -81.66727982,
"energy_per_atom": -10.2084099775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.66727982,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.136000Z",
"spacegroup": 194
},
{
"id": "mp-1039269",
"created_at": "2022-09-04T14:43:52.799950Z",
"structure_string": "Ce4 Mg2\n1.0\n1.561349 -2.704336 0.000000\n1.561349 2.704336 0.000000\n0.000000 0.000000 18.240091\nCe Mg\n4 2\ndirect\n0.333333 0.666667 0.914299 Ce\n0.333333 0.666667 0.585701 Ce\n0.666667 0.333333 0.414299 Ce\n0.666667 0.333333 0.085701 Ce\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.566009745717829,
"density_atomic": 0.03895234562687875,
"volume": 154.03436952099102,
"volume_molar": 15.460277585554362,
"formula_full": "Ce4 Mg2",
"formula_reduced": "Ce2Mg",
"formula_anonymous": "AB2",
"energy": -26.51016567,
"energy_per_atom": -4.418360945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.51016567,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8005007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.735000Z",
"spacegroup": 194
}
]
}