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=11569",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=11567",
"results": [
{
"id": "mp-1110626",
"created_at": "2022-09-04T14:40:38.546779Z",
"structure_string": "Rb1 Na2 Co1 F6\n1.0\n6.247673 0.000000 0.000000\n3.123837 5.410643 0.000000\n3.123837 1.803548 5.101203\nRb Na Co F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Co\n0.210461 0.789539 0.210461 F\n0.789539 0.789539 0.210461 F\n0.789539 0.210461 0.789539 F\n0.789539 0.210461 0.210461 F\n0.210461 0.789539 0.789539 F\n0.210461 0.210461 0.789539 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"F"
],
"chemical_system": "Co-F-Na-Rb",
"density": 2.930977769162052,
"density_atomic": 0.05799094997853562,
"volume": 172.44069986267397,
"volume_molar": 10.384621673259355,
"formula_full": "Rb1 Na2 Co1 F6",
"formula_reduced": "RbNa2CoF6",
"formula_anonymous": "ABC2D6",
"energy": -47.09728028000001,
"energy_per_atom": -4.709728028000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.68728028,
"band_gap": 3.2454,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001027,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.516000Z",
"spacegroup": 225
},
{
"id": "mp-1247442",
"created_at": "2022-09-04T14:40:43.969110Z",
"structure_string": "K6 Si6 N10\n1.0\n5.562619 -0.299294 0.363231\n-0.996091 7.149024 0.152270\n-1.318640 -2.607047 7.698065\nK Si N\n6 6 10\ndirect\n0.833447 0.428392 0.614571 K\n0.166553 0.571608 0.385429 K\n0.628939 0.824962 0.910407 K\n0.371061 0.175038 0.089593 K\n0.647589 0.620225 0.243817 K\n0.352411 0.379775 0.756183 K\n0.932533 0.323152 0.982544 Si\n0.067467 0.676848 0.017456 Si\n0.686708 0.974790 0.594303 Si\n0.313292 0.025210 0.405697 Si\n0.076107 0.905578 0.717023 Si\n0.923893 0.094422 0.282977 Si\n0.917889 0.122650 0.777541 N\n0.082111 0.877350 0.222459 N\n0.817197 0.773937 0.569516 N\n0.182803 0.226063 0.430484 N\n0.781361 0.502220 0.945248 N\n0.218639 0.497780 0.054752 N\n0.353569 0.958806 0.603648 N\n0.646431 0.041194 0.396352 N\n0.151131 0.799816 0.868319 N\n0.848869 0.200184 0.131681 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"K",
"Si",
"N"
],
"chemical_system": "K-N-Si",
"density": 2.905107885166075,
"density_atomic": 0.07085985073121553,
"volume": 310.47200598051006,
"volume_molar": 8.498664191155424,
"formula_full": "K6 Si6 N10",
"formula_reduced": "K3Si3N5",
"formula_anonymous": "A3B3C5",
"energy": -140.46233758000002,
"energy_per_atom": -6.38465170818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.85233758,
"band_gap": 2.2395000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.197000Z",
"spacegroup": 2
},
{
"id": "mp-32861",
"created_at": "2022-09-04T14:40:38.606502Z",
"structure_string": "Rh6 Se16\n1.0\n6.056449 0.000000 0.000000\n0.000000 6.053965 0.000000\n0.000000 5.880905 12.140236\nRh Se\n6 16\ndirect\n0.493190 0.757200 0.749196 Rh\n0.506810 0.242800 0.250804 Rh\n0.500000 0.000000 0.000000 Rh\n0.993190 0.242800 0.750804 Rh\n0.006810 0.757200 0.249196 Rh\n0.000000 0.000000 0.500000 Rh\n0.616845 0.691955 0.191860 Se\n0.616312 0.189281 0.689619 Se\n0.614846 0.673043 0.941478 Se\n0.617430 0.173835 0.443129 Se\n0.882570 0.173835 0.943129 Se\n0.883688 0.189281 0.189619 Se\n0.885154 0.673043 0.441478 Se\n0.883155 0.691955 0.691860 Se\n0.116312 0.810719 0.810381 Se\n0.117430 0.826165 0.056871 Se\n0.114846 0.326957 0.558522 Se\n0.116845 0.308045 0.308140 Se\n0.385154 0.326957 0.058522 Se\n0.383155 0.308045 0.808140 Se\n0.383688 0.810719 0.310381 Se\n0.382570 0.826165 0.556871 Se\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Rh",
"Se"
],
"chemical_system": "Rh-Se",
"density": 7.0162490694065225,
"density_atomic": 0.049423964752703185,
"volume": 445.12819054640363,
"volume_molar": 12.184657362338836,
"formula_full": "Rh6 Se16",
"formula_reduced": "Rh3Se8",
"formula_anonymous": "A3B8",
"energy": -115.95701536,
"energy_per_atom": -5.2707734254545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.40501535999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.280000Z",
"spacegroup": 14
},
{
"id": "mp-1062078",
"created_at": "2022-09-04T14:40:52.164322Z",
"structure_string": "Er1 Pd2\n1.0\n-1.974836 1.974836 4.164021\n1.974836 -1.974836 4.164021\n1.974836 1.974836 -4.164021\nEr Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.750000 0.250000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Er",
"Pd"
],
"chemical_system": "Er-Pd",
"density": 9.716522283862972,
"density_atomic": 0.04618344029686011,
"volume": 64.95834828926684,
"volume_molar": 13.039610564502338,
"formula_full": "Er1 Pd2",
"formula_reduced": "ErPd2",
"formula_anonymous": "AB2",
"energy": -16.85858278,
"energy_per_atom": -5.619527593333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.85858278,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:20.842000Z",
"spacegroup": 139
},
{
"id": "mp-1111742",
"created_at": "2022-09-04T14:40:41.044826Z",
"structure_string": "Na2 Hg1 As1 Br6\n1.0\n0.000000 5.563767 5.563767\n5.563767 0.000000 5.563767\n5.563767 5.563767 0.000000\nNa Hg As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n0.760191 0.239808 0.239808 Br\n0.239808 0.239809 0.760191 Br\n0.239808 0.760191 0.760191 Br\n0.239808 0.760192 0.239809 Br\n0.760191 0.239808 0.760192 Br\n0.760191 0.760192 0.239808 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Hg",
"As",
"Br"
],
"chemical_system": "As-Br-Hg-Na",
"density": 3.8609911092967346,
"density_atomic": 0.029031080600041392,
"volume": 344.45841468215076,
"volume_molar": 20.743770591823626,
"formula_full": "Na2 Hg1 As1 Br6",
"formula_reduced": "Na2HgAsBr6",
"formula_anonymous": "ABC2D6",
"energy": -27.71922161,
"energy_per_atom": -2.771922161,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.51522161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.930000Z",
"spacegroup": 225
},
{
"id": "mp-863754",
"created_at": "2022-09-04T14:40:38.157004Z",
"structure_string": "K2 Y2 Si2 S8\n1.0\n6.639121 0.000000 0.000000\n0.000000 6.424769 0.000000\n0.000000 2.686133 8.274408\nK Y Si S\n2 2 2 8\ndirect\n0.978127 0.729987 0.064321 K\n0.478127 0.270013 0.935679 K\n0.498860 0.230398 0.450660 Y\n0.998860 0.769602 0.549340 Y\n0.462265 0.781343 0.325854 Si\n0.962265 0.218657 0.674146 Si\n0.463535 0.586032 0.170528 S\n0.229933 0.023078 0.279512 S\n0.727371 0.979788 0.298347 S\n0.906910 0.421208 0.432882 S\n0.406910 0.578792 0.567118 S\n0.227371 0.020212 0.701653 S\n0.729933 0.976922 0.720488 S\n0.963535 0.413968 0.829472 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Y",
"Si",
"S"
],
"chemical_system": "K-S-Si-Y",
"density": 2.6756343222468715,
"density_atomic": 0.03966641971072702,
"volume": 352.94337381838295,
"volume_molar": 15.181961981740006,
"formula_full": "K2 Y2 Si2 S8",
"formula_reduced": "KYSiS4",
"formula_anonymous": "ABCD4",
"energy": -83.03524015,
"energy_per_atom": -5.931088582142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.01124015,
"band_gap": 2.8038000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004423,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.980000Z",
"spacegroup": 4
},
{
"id": "mp-555234",
"created_at": "2022-09-04T14:40:38.158257Z",
"structure_string": "Rb2 Sb2 Br2 F6\n1.0\n4.565216 0.000000 0.000000\n-1.843272 7.659137 0.000000\n-1.440571 -3.625808 8.223027\nRb Sb Br F\n2 2 2 6\ndirect\n0.988143 0.312817 0.652933 Rb\n0.011857 0.687183 0.347067 Rb\n0.319339 0.159843 0.208960 Sb\n0.680661 0.840157 0.791040 Sb\n0.436561 0.772507 0.069028 Br\n0.563439 0.227493 0.930972 Br\n0.605505 0.559303 0.683926 F\n0.699375 0.879424 0.585270 F\n0.300625 0.120576 0.414730 F\n0.394495 0.440697 0.316074 F\n0.222147 0.764546 0.699633 F\n0.777853 0.235454 0.300367 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Sb",
"Br",
"F"
],
"chemical_system": "Br-F-Rb-Sb",
"density": 3.974888666032853,
"density_atomic": 0.041735763353666216,
"volume": 287.52319439596107,
"volume_molar": 14.429209570144339,
"formula_full": "Rb2 Sb2 Br2 F6",
"formula_reduced": "RbSbBrF3",
"formula_anonymous": "ABCD3",
"energy": -55.1122997,
"energy_per_atom": -4.592691641666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.2722997,
"band_gap": 3.7548,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.264000Z",
"spacegroup": 2
},
{
"id": "mp-569153",
"created_at": "2022-09-04T14:40:52.614026Z",
"structure_string": "Pr8 Co8 Sb24\n1.0\n6.212405 0.000000 0.000000\n0.000000 12.170227 0.000000\n0.000000 0.000000 12.855429\nPr Co Sb\n8 8 24\ndirect\n0.224202 0.250000 0.302813 Pr\n0.250000 0.500000 0.700659 Pr\n0.750000 0.000000 0.299341 Pr\n0.775798 0.750000 0.697187 Pr\n0.724202 0.250000 0.697187 Pr\n0.250000 0.000000 0.700659 Pr\n0.275798 0.750000 0.302813 Pr\n0.750000 0.500000 0.299341 Pr\n0.037935 0.636032 0.097157 Co\n0.537935 0.636032 0.902843 Co\n0.537935 0.863968 0.902843 Co\n0.037935 0.863968 0.097157 Co\n0.462065 0.363968 0.097157 Co\n0.462065 0.136032 0.097157 Co\n0.962065 0.136032 0.902843 Co\n0.962065 0.363968 0.902843 Co\n0.884540 0.750000 0.945024 Sb\n0.750000 0.500000 0.782719 Sb\n0.615460 0.250000 0.945024 Sb\n0.250000 0.000000 0.972414 Sb\n0.250000 0.000000 0.217281 Sb\n0.486678 0.124230 0.497536 Sb\n0.513322 0.624230 0.502464 Sb\n0.231510 0.250000 0.788227 Sb\n0.750000 0.500000 0.027586 Sb\n0.013322 0.624230 0.497536 Sb\n0.013322 0.875770 0.497536 Sb\n0.115460 0.250000 0.054976 Sb\n0.768490 0.750000 0.211773 Sb\n0.513322 0.875770 0.502464 Sb\n0.750000 0.000000 0.782719 Sb\n0.250000 0.500000 0.972414 Sb\n0.486678 0.375770 0.497536 Sb\n0.986678 0.375770 0.502464 Sb\n0.268490 0.750000 0.788227 Sb\n0.731510 0.250000 0.211773 Sb\n0.250000 0.500000 0.217281 Sb\n0.750000 0.000000 0.027586 Sb\n0.986678 0.124230 0.502464 Sb\n0.384540 0.750000 0.054976 Sb\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Pr",
"Co",
"Sb"
],
"chemical_system": "Co-Pr-Sb",
"density": 7.72387786690688,
"density_atomic": 0.041154277138402244,
"volume": 971.9524380292138,
"volume_molar": 14.633085984592757,
"formula_full": "Pr8 Co8 Sb24",
"formula_reduced": "PrCoSb3",
"formula_anonymous": "ABC3",
"energy": -221.68080863,
"energy_per_atom": -5.54202021575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -217.07280863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016713,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.618000Z",
"spacegroup": 57
},
{
"id": "mp-1077498",
"created_at": "2022-09-04T14:40:41.222268Z",
"structure_string": "Er1 Cu4 Ag1\n1.0\n0.000000 3.555386 3.555386\n3.555386 0.000000 3.555386\n3.555386 3.555386 0.000000\nEr Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.624224 0.624224 0.127327 Cu\n0.624224 0.127327 0.624224 Cu\n0.127327 0.624224 0.624224 Cu\n0.624224 0.624224 0.624224 Cu\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Er",
"density": 9.778447569200472,
"density_atomic": 0.06675149253938542,
"volume": 89.8856305940997,
"volume_molar": 9.021731995650514,
"formula_full": "Er1 Cu4 Ag1",
"formula_reduced": "ErCu4Ag",
"formula_anonymous": "ABC4",
"energy": -25.26146095,
"energy_per_atom": -4.210243491666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.26146095,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008672,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.396000Z",
"spacegroup": 216
},
{
"id": "mp-570835",
"created_at": "2022-09-04T14:40:38.197405Z",
"structure_string": "Ni1 Hg4\n1.0\n-3.091848 3.091848 3.091848\n3.091848 -3.091848 3.091848\n3.091848 3.091848 -3.091848\nNi Hg\n1 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Hg\n0.500000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.000000 Hg\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ni",
"Hg"
],
"chemical_system": "Hg-Ni",
"density": 12.093855813988256,
"density_atomic": 0.04229174524376215,
"volume": 118.22638132290079,
"volume_molar": 14.239518197438871,
"formula_full": "Ni1 Hg4",
"formula_reduced": "NiHg4",
"formula_anonymous": "AB4",
"energy": -6.86926652,
"energy_per_atom": -1.373853304,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.86926652,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001279,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.382000Z",
"spacegroup": 229
},
{
"id": "mp-1195149",
"created_at": "2022-09-04T14:40:38.201262Z",
"structure_string": "H16 Pt2 N16 O4\n1.0\n6.100751 0.032661 2.603474\n2.863040 7.707965 1.068472\n0.105036 -0.090601 8.460650\nH Pt N O\n16 2 16 4\ndirect\n0.942193 0.642180 0.180940 H\n0.057807 0.357820 0.819060 H\n0.810608 0.649383 0.396679 H\n0.189392 0.350617 0.603321 H\n0.098124 0.588814 0.309356 H\n0.901876 0.411186 0.690644 H\n0.668458 0.316015 0.172594 H\n0.331542 0.683985 0.827406 H\n0.529793 0.481866 0.320305 H\n0.470207 0.518134 0.679695 H\n0.714466 0.505771 0.115890 H\n0.285534 0.494229 0.884110 H\n0.343252 0.241430 0.011500 H\n0.656748 0.758570 0.988500 H\n0.708071 0.252544 0.561277 H\n0.291929 0.747456 0.438723 H\n0.975569 0.327234 0.281449 Pt\n0.024431 0.672766 0.718551 Pt\n0.971593 0.080401 0.280557 N\n0.028407 0.919599 0.719443 N\n0.115641 0.975884 0.164560 N\n0.884359 0.024116 0.835440 N\n0.246818 0.864290 0.061300 N\n0.753182 0.135710 0.938700 N\n0.272445 0.239029 0.343119 N\n0.727555 0.760971 0.656881 N\n0.375904 0.082219 0.336731 N\n0.624096 0.917781 0.663269 N\n0.484776 0.935106 0.332450 N\n0.515224 0.064894 0.667550 N\n0.956172 0.581338 0.292111 N\n0.043828 0.418662 0.707889 N\n0.685245 0.419112 0.215467 N\n0.314755 0.580888 0.784533 N\n0.184089 0.319803 0.024932 O\n0.815911 0.680197 0.975068 O\n0.751289 0.356602 0.536828 O\n0.248711 0.643398 0.463172 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pt",
"N",
"O"
],
"chemical_system": "H-N-O-Pt",
"density": 2.9200961982137454,
"density_atomic": 0.09623256150080944,
"volume": 394.876738261616,
"volume_molar": 6.257903422792446,
"formula_full": "H16 Pt2 N16 O4",
"formula_reduced": "H8Pt(N4O)2",
"formula_anonymous": "AB2C8D8",
"energy": -234.09591339,
"energy_per_atom": -6.1604187734210525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -225.57191339,
"band_gap": 2.3138,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011057,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:07.744000Z",
"spacegroup": 2
},
{
"id": "mp-1246448",
"created_at": "2022-09-04T14:40:52.083038Z",
"structure_string": "Sr6 Mo2 N6\n1.0\n7.979023 0.000004 0.000000\n-3.989501 6.910075 0.000000\n0.000000 0.000000 5.358068\nSr Mo N\n6 2 6\ndirect\n0.906338 0.647433 0.250000 Sr\n0.741094 0.093659 0.250000 Sr\n0.352565 0.258904 0.250000 Sr\n0.093662 0.352567 0.750000 Sr\n0.258906 0.906341 0.750000 Sr\n0.647435 0.741096 0.750000 Sr\n0.666649 0.333325 0.750000 Mo\n0.333351 0.666675 0.250000 Mo\n0.884249 0.580108 0.750000 N\n0.695862 0.115756 0.750000 N\n0.419901 0.304140 0.750000 N\n0.115751 0.419892 0.250000 N\n0.304138 0.884244 0.250000 N\n0.580099 0.695860 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Mo",
"N"
],
"chemical_system": "Mo-N-Sr",
"density": 4.505964443793772,
"density_atomic": 0.047390054801695496,
"volume": 295.42063326542336,
"volume_molar": 12.707604549519413,
"formula_full": "Sr6 Mo2 N6",
"formula_reduced": "Sr3MoN3",
"formula_anonymous": "AB3C3",
"energy": -94.61212198,
"energy_per_atom": -6.758008712857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.44612198,
"band_gap": 0.1371999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007786,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.040000Z",
"spacegroup": 176
}
]
}