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=-formula_reduced&page=10236",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10234",
"results": [
{
"id": "mp-860537",
"created_at": "2022-09-04T14:45:20.314614Z",
"structure_string": "Co3 F9\n1.0\n2.557799 -4.430238 0.000000\n2.557799 4.430238 0.000000\n0.000000 0.000000 6.788859\nCo F\n3 9\ndirect\n0.666667 0.333333 0.338107 Co\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.661893 Co\n0.936629 0.672185 0.177154 F\n0.264444 0.327815 0.822846 F\n0.327815 0.264444 0.177154 F\n0.614705 0.614705 0.500000 F\n0.063371 0.735556 0.822846 F\n0.385295 0.000000 0.500000 F\n0.735556 0.063371 0.177154 F\n0.000000 0.385295 0.500000 F\n0.672185 0.936629 0.822846 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.753530557337943,
"density_atomic": 0.07799396342615382,
"volume": 153.85806122497968,
"volume_molar": 7.72129084797938,
"formula_full": "Co3 F9",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -60.86301842,
"energy_per_atom": -5.071918201666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.79101842,
"band_gap": 0.4727000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1151073,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:06.750000Z",
"spacegroup": 150
},
{
"id": "mp-559473",
"created_at": "2022-09-04T14:41:34.390240Z",
"structure_string": "Co2 F6\n1.0\n4.593502 -2.605466 0.000000\n4.593502 2.605466 0.000000\n3.115663 0.000000 4.263960\nCo F\n2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.750000 0.144410 0.355590 F\n0.355590 0.750000 0.144410 F\n0.144410 0.355590 0.750000 F\n0.250000 0.855590 0.644410 F\n0.644410 0.250000 0.855590 F\n0.855590 0.644410 0.250000 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.7722156686984007,
"density_atomic": 0.0783822181292392,
"volume": 102.06396541125353,
"volume_molar": 7.683044577879251,
"formula_full": "Co2 F6",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -42.5387651,
"energy_per_atom": -5.3173456375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.4907651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0008156,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.369000Z",
"spacegroup": 167
},
{
"id": "mp-1271121",
"created_at": "2022-09-04T14:42:03.223071Z",
"structure_string": "Co2 F6\n1.0\n-2.740305 -1.584523 -2.229054\n2.723294 1.567837 -4.418140\n2.716308 -4.705343 -0.004058\nCo F\n2 6\ndirect\n0.999998 0.499999 0.500000 Co\n0.999999 0.000002 0.000002 Co\n0.500002 0.500002 0.500002 F\n0.500000 0.999998 0.000005 F\n0.999812 0.241969 0.241288 F\n0.000177 0.758032 0.758707 F\n0.999044 0.740889 0.258161 F\n0.000966 0.259109 0.741835 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.376079330607183,
"density_atomic": 0.07015096955062926,
"volume": 114.03976383001024,
"volume_molar": 8.584543875268482,
"formula_full": "Co2 F6",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -42.871025450000005,
"energy_per_atom": -5.358878181250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.82302545,
"band_gap": 1.6382,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0006261,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.411000Z",
"spacegroup": 127
},
{
"id": "mp-559435",
"created_at": "2022-09-04T14:48:14.575041Z",
"structure_string": "Co2 F6\n1.0\n2.739604 1.581259 -4.310578\n2.738053 -1.581700 4.309394\n0.001158 -3.162498 -4.309811\nCo F\n2 6\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.249810 0.249802 0.750213 F\n0.750190 0.750230 0.249818 F\n0.749828 0.749861 0.749825 F\n0.250203 0.250139 0.250143 F\n0.749918 0.250005 0.250027 F\n0.250050 0.749964 0.749973 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 3.437649063981104,
"density_atomic": 0.07143031641075694,
"volume": 111.99726393477451,
"volume_molar": 8.430791101876046,
"formula_full": "Co2 F6",
"formula_reduced": "CoF3",
"formula_anonymous": "AB3",
"energy": -42.920552820000005,
"energy_per_atom": -5.365069102500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.87255282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:45.694000Z",
"spacegroup": 221
},
{
"id": "mp-555908",
"created_at": "2022-09-04T14:40:18.080220Z",
"structure_string": "Co2 F4\n1.0\n3.218556 0.000000 0.000000\n0.000000 4.746797 0.000000\n0.000000 0.000000 4.746797\nCo F\n2 4\ndirect\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.695713 0.695713 F\n0.500000 0.804287 0.195713 F\n0.000000 0.304287 0.304287 F\n0.500000 0.195713 0.804287 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Co",
"F"
],
"chemical_system": "Co-F",
"density": 4.438895528685817,
"density_atomic": 0.082734922054541,
"volume": 72.52076693859269,
"volume_molar": 7.27883777545599,
"formula_full": "Co2 F4",
"formula_reduced": "CoF2",
"formula_anonymous": "AB2",
"energy": -35.97231171,
"energy_per_atom": -5.995385285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.84831171,
"band_gap": 2.2721,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.43e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.622000Z",
"spacegroup": 136
},
{
"id": "mp-1214108",
"created_at": "2022-09-04T14:42:01.198742Z",
"structure_string": "Co4 Cu4 Se8 Cl8 O40\n1.0\n6.819575 0.000000 0.000000\n0.000000 8.694458 0.000000\n0.000000 0.000000 18.603040\nCo Cu Se Cl O\n4 4 8 8 40\ndirect\n0.085438 0.170167 0.250000 Co\n0.914562 0.829833 0.750000 Co\n0.585438 0.329833 0.750000 Co\n0.414562 0.670167 0.250000 Co\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.151604 0.311622 0.559346 Se\n0.848396 0.688378 0.440654 Se\n0.651604 0.188378 0.440654 Se\n0.848396 0.688378 0.059346 Se\n0.348396 0.811622 0.559346 Se\n0.151604 0.311622 0.940654 Se\n0.348396 0.811622 0.940654 Se\n0.651604 0.188378 0.059346 Se\n0.016911 0.001962 0.664689 Cl\n0.983089 0.998038 0.335311 Cl\n0.516911 0.498038 0.335311 Cl\n0.983089 0.998038 0.164689 Cl\n0.483089 0.501962 0.664689 Cl\n0.016911 0.001962 0.835311 Cl\n0.483089 0.501962 0.835311 Cl\n0.516911 0.498038 0.164689 Cl\n0.232853 0.470825 0.991718 O\n0.767147 0.529175 0.008282 O\n0.732853 0.029175 0.008282 O\n0.767147 0.529175 0.491718 O\n0.267147 0.970825 0.991718 O\n0.232853 0.470825 0.508282 O\n0.267147 0.970825 0.508282 O\n0.732853 0.029175 0.491718 O\n0.316994 0.083981 0.250000 O\n0.683006 0.916019 0.750000 O\n0.816994 0.416019 0.750000 O\n0.183006 0.583981 0.250000 O\n0.464294 0.110229 0.102422 O\n0.535706 0.889771 0.897578 O\n0.964294 0.389771 0.897578 O\n0.535706 0.889771 0.602422 O\n0.035706 0.610229 0.102422 O\n0.464294 0.110229 0.397578 O\n0.035706 0.610229 0.397578 O\n0.964294 0.389771 0.602422 O\n0.133192 0.291234 0.179711 O\n0.866808 0.708766 0.820289 O\n0.633192 0.208766 0.820289 O\n0.866808 0.708766 0.679711 O\n0.366808 0.791234 0.179711 O\n0.133192 0.291234 0.320289 O\n0.366808 0.791234 0.320289 O\n0.633192 0.208766 0.679711 O\n0.831090 0.224992 0.250000 O\n0.168910 0.775008 0.750000 O\n0.331090 0.275008 0.750000 O\n0.668910 0.724992 0.250000 O\n0.045241 0.208896 0.013713 O\n0.954759 0.791104 0.986287 O\n0.545241 0.291104 0.986287 O\n0.954759 0.791104 0.513713 O\n0.454759 0.708896 0.013713 O\n0.045241 0.208896 0.486287 O\n0.454759 0.708896 0.486287 O\n0.545241 0.291104 0.513713 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"Co",
"Cu",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Co-Cu-O-Se",
"density": 3.078934528228148,
"density_atomic": 0.058022472345091,
"volume": 1103.0209057510926,
"volume_molar": 10.378979930712147,
"formula_full": "Co4 Cu4 Se8 Cl8 O40",
"formula_reduced": "CoCuSe2(ClO5)2",
"formula_anonymous": "ABC2D2E10",
"energy": -311.19447356,
"energy_per_atom": -4.862413649375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -277.16247356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0007599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.692000Z",
"spacegroup": 62
},
{
"id": "mp-1226070",
"created_at": "2022-09-04T14:47:10.420491Z",
"structure_string": "Co2 Cu2 S8\n1.0\n5.593216 0.000000 0.000000\n0.000000 5.592509 0.000000\n0.000000 0.100039 5.741614\nCo Cu S\n2 2 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.597088 0.100015 0.116615 S\n0.097088 0.399985 0.883385 S\n0.382474 0.618039 0.407926 S\n0.882474 0.881961 0.592074 S\n0.402912 0.899985 0.883385 S\n0.902912 0.600015 0.116615 S\n0.617526 0.381961 0.592074 S\n0.117526 0.118039 0.407926 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Cu",
"S"
],
"chemical_system": "Co-Cu-S",
"density": 4.636593746823564,
"density_atomic": 0.06681576895057822,
"volume": 179.59832219960035,
"volume_molar": 9.013053137881885,
"formula_full": "Co2 Cu2 S8",
"formula_reduced": "CoCuS4",
"formula_anonymous": "ABC4",
"energy": -62.27124577000001,
"energy_per_atom": -5.189270480833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.24724577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6594265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.641000Z",
"spacegroup": 14
},
{
"id": "mp-761614",
"created_at": "2022-09-04T14:41:29.957944Z",
"structure_string": "Co2 Cu2 P4 O16\n1.0\n5.914694 0.000000 0.000000\n0.000000 4.995234 0.000000\n0.000000 0.738994 9.977528\nCo Cu P O\n2 2 4 16\ndirect\n0.750000 0.440909 0.789296 Co\n0.250000 0.559091 0.210704 Co\n0.250000 0.867192 0.696455 Cu\n0.750000 0.132808 0.303545 Cu\n0.250000 0.404477 0.898770 P\n0.750000 0.939001 0.603516 P\n0.250000 0.060999 0.396484 P\n0.750000 0.595523 0.101230 P\n0.750000 0.653797 0.949137 O\n0.250000 0.715920 0.869846 O\n0.038293 0.282338 0.833294 O\n0.461707 0.282338 0.833294 O\n0.555268 0.767145 0.675783 O\n0.944732 0.767145 0.675783 O\n0.750000 0.235500 0.623925 O\n0.250000 0.111015 0.547504 O\n0.750000 0.888985 0.452496 O\n0.250000 0.764500 0.376075 O\n0.055268 0.232855 0.324217 O\n0.444732 0.232855 0.324217 O\n0.538293 0.717662 0.166706 O\n0.961707 0.717662 0.166706 O\n0.750000 0.284080 0.130154 O\n0.250000 0.346203 0.050863 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-O-P",
"density": 3.519731339084586,
"density_atomic": 0.0814142015509827,
"volume": 294.788864139027,
"volume_molar": 7.39691680969057,
"formula_full": "Co2 Cu2 P4 O16",
"formula_reduced": "CoCu(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -169.52597625,
"energy_per_atom": -7.06358234375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.25797625,
"band_gap": 0.0050999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0005454,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.254000Z",
"spacegroup": 11
},
{
"id": "mp-21403",
"created_at": "2022-09-04T14:39:42.865493Z",
"structure_string": "Co1 Cu1 P2 O7\n1.0\n4.516650 -0.041232 -0.836329\n-1.202892 5.137788 -1.099868\n-0.050265 0.031606 5.373107\nCo Cu P O\n1 1 2 7\ndirect\n0.726811 0.097157 0.279866 Co\n0.728469 0.481333 0.907578 Cu\n0.314783 0.582613 0.401863 P\n0.131019 0.994135 0.809411 P\n0.504279 0.419358 0.538815 O\n0.957074 0.143068 0.648142 O\n0.489932 0.743736 0.253045 O\n0.007385 0.414066 0.218731 O\n0.443098 0.171094 0.974521 O\n0.940764 0.859397 0.975554 O\n0.216486 0.761142 0.628674 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-O-P",
"density": 3.9570745552323636,
"density_atomic": 0.0884314257359939,
"volume": 124.39016908807695,
"volume_molar": 6.809955521896366,
"formula_full": "Co1 Cu1 P2 O7",
"formula_reduced": "CoCuP2O7",
"formula_anonymous": "ABC2D7",
"energy": -80.06840673,
"energy_per_atom": -7.278946066363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.62140673,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.998763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.140000Z",
"spacegroup": 1
},
{
"id": "mp-1181826",
"created_at": "2022-09-04T14:48:29.342230Z",
"structure_string": "Co1 Cu1 P2 O7\n1.0\n4.516475 -0.034118 -0.834631\n-1.196022 5.111007 -1.104089\n-0.043777 0.032651 5.392588\nCo Cu P O\n1 1 2 7\ndirect\n0.718811 0.103250 0.284299 Co\n0.725901 0.481375 0.908760 Cu\n0.315988 0.581388 0.400966 P\n0.130718 0.993760 0.808270 P\n0.221629 0.761881 0.628674 O\n0.505055 0.415723 0.536396 O\n0.942471 0.857344 0.973735 O\n0.956863 0.143201 0.647989 O\n0.492555 0.742902 0.253412 O\n0.009168 0.413462 0.219211 O\n0.440942 0.172812 0.974490 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Co",
"Cu",
"P",
"O"
],
"chemical_system": "Co-Cu-O-P",
"density": 3.9609634453838463,
"density_atomic": 0.08851833339866896,
"volume": 124.26804231003976,
"volume_molar": 6.803269479642682,
"formula_full": "Co1 Cu1 P2 O7",
"formula_reduced": "CoCuP2O7",
"formula_anonymous": "ABC2D7",
"energy": -79.92136991,
"energy_per_atom": -7.265579082727272,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.47436991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9967543,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.941000Z",
"spacegroup": 5
},
{
"id": "mp-1226484",
"created_at": "2022-09-04T14:45:42.210963Z",
"structure_string": "Co1 Cu2 O6\n1.0\n0.000000 4.121556 5.006446\n3.207570 0.000000 5.006446\n3.207570 4.121556 0.000000\nCo Cu O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.668278 0.331722 0.668278 Cu\n0.331722 0.668278 0.331722 Cu\n0.381779 0.381779 0.618221 O\n0.722132 0.045770 0.954230 O\n0.045770 0.722132 0.277868 O\n0.277868 0.954230 0.045770 O\n0.618221 0.618221 0.381779 O\n0.954230 0.277868 0.722132 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 3.53781062681279,
"density_atomic": 0.06799009212690882,
"volume": 132.37222834175304,
"volume_molar": 8.857379908765536,
"formula_full": "Co1 Cu2 O6",
"formula_reduced": "Co(CuO3)2",
"formula_anonymous": "AB2C6",
"energy": -49.39641917,
"energy_per_atom": -5.488491018888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.63641917000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0016248,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.800000Z",
"spacegroup": 69
},
{
"id": "mp-756934",
"created_at": "2022-09-04T14:48:28.118301Z",
"structure_string": "Co1 Cu4 O8\n1.0\n5.466302 0.000000 0.000000\n-0.020390 5.696431 0.000000\n-1.756460 -2.836699 5.091391\nCo Cu O\n1 4 8\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.846369 0.309634 0.624918 O\n0.768052 0.728602 0.019635 O\n0.762791 0.299482 0.038341 O\n0.857126 0.814637 0.630147 O\n0.142874 0.185363 0.369853 O\n0.237209 0.700518 0.961659 O\n0.231948 0.271398 0.980365 O\n0.153631 0.690366 0.375082 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 4.620249677189568,
"density_atomic": 0.08199935548307158,
"volume": 158.53783146727045,
"volume_molar": 7.344131822162,
"formula_full": "Co1 Cu4 O8",
"formula_reduced": "Co(CuO2)4",
"formula_anonymous": "AB4C8",
"energy": -74.16179228,
"energy_per_atom": -5.704753252307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.02779228,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1313055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.050000Z",
"spacegroup": 2
}
]
}