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=-updated_at&page=47",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-updated_at&page=45",
"results": [
{
"id": "mp-1078000",
"created_at": "2022-09-04T14:48:30.951385Z",
"structure_string": "Mn1 Cr2 S4\n1.0\n1.679938 6.303056 0.000000\n-1.679938 6.303056 0.000000\n0.000000 2.470713 5.152539\nMn Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.256305 0.256305 0.687890 Cr\n0.743695 0.743695 0.312110 Cr\n0.354270 0.354270 0.985781 S\n0.645730 0.645730 0.014219 S\n0.117211 0.117211 0.538220 S\n0.882789 0.882789 0.461780 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"S"
],
"chemical_system": "Cr-Mn-S",
"density": 4.370419031435157,
"density_atomic": 0.0641508384715732,
"volume": 109.11782553086769,
"volume_molar": 9.387470068171528,
"formula_full": "Mn1 Cr2 S4",
"formula_reduced": "Mn(CrS2)2",
"formula_anonymous": "AB2C4",
"energy": -51.32060883,
"energy_per_atom": -7.331515547142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.30860883,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6673496,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:55.902000Z",
"spacegroup": 12
},
{
"id": "mp-1048114",
"created_at": "2022-09-04T14:48:30.636299Z",
"structure_string": "Ba4 Cr4 F28\n1.0\n10.000995 0.000000 0.000000\n0.000000 5.522784 0.000000\n0.000000 0.779259 9.947848\nBa Cr F\n4 4 28\ndirect\n0.292144 0.743037 0.492935 Ba\n0.792144 0.256963 0.007065 Ba\n0.707856 0.256963 0.507065 Ba\n0.207856 0.743037 0.992935 Ba\n0.613222 0.813398 0.811653 Cr\n0.386778 0.186602 0.188347 Cr\n0.886778 0.813398 0.311653 Cr\n0.113222 0.186602 0.688347 Cr\n0.449665 0.908847 0.128671 F\n0.039816 0.659184 0.363130 F\n0.690803 0.536019 0.759467 F\n0.309197 0.463981 0.240533 F\n0.453085 0.106404 0.359509 F\n0.806995 0.744344 0.478111 F\n0.764187 0.992931 0.759457 F\n0.953085 0.893596 0.140491 F\n0.460184 0.659184 0.863130 F\n0.190803 0.463981 0.740533 F\n0.050335 0.908847 0.628671 F\n0.550335 0.091153 0.871329 F\n0.264187 0.007069 0.740543 F\n0.968068 0.592821 0.915409 F\n0.546915 0.893596 0.640491 F\n0.046915 0.106404 0.859509 F\n0.235813 0.007069 0.240543 F\n0.949665 0.091153 0.371329 F\n0.468068 0.407179 0.584591 F\n0.960184 0.340816 0.636870 F\n0.031932 0.407179 0.084591 F\n0.735813 0.992931 0.259457 F\n0.531932 0.592821 0.415409 F\n0.306995 0.255656 0.021889 F\n0.193005 0.255656 0.521889 F\n0.693005 0.744344 0.978111 F\n0.539816 0.340816 0.136870 F\n0.809197 0.536019 0.259467 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"F"
],
"chemical_system": "Ba-Cr-F",
"density": 3.896323881230354,
"density_atomic": 0.06551972891178628,
"volume": 549.45282280501,
"volume_molar": 9.191339555308634,
"formula_full": "Ba4 Cr4 F28",
"formula_reduced": "BaCrF7",
"formula_anonymous": "ABC7",
"energy": -205.87405137,
"energy_per_atom": -5.718723649166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.94205137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.717677,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.898000Z",
"spacegroup": 14
},
{
"id": "mp-7171",
"created_at": "2022-09-04T14:48:31.207812Z",
"structure_string": "Tm1 P1\n1.0\n0.000000 2.793174 2.793174\n2.793174 0.000000 2.793174\n2.793174 2.793174 0.000000\nTm P\n1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tm",
"P"
],
"chemical_system": "P-Tm",
"density": 7.616496429277321,
"density_atomic": 0.04588872885068964,
"volume": 43.58368710773175,
"volume_molar": 13.123354930127894,
"formula_full": "Tm1 P1",
"formula_reduced": "TmP",
"formula_anonymous": "AB",
"energy": -13.09529118,
"energy_per_atom": -6.54764559,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.09529118,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022702,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:55.892000Z",
"spacegroup": 225
},
{
"id": "mp-1094495",
"created_at": "2022-09-04T14:48:27.950776Z",
"structure_string": "Y2 Mg4\n1.0\n1.743222 -8.454220 0.000000\n1.743222 8.454220 0.000000\n0.000000 0.000000 5.476760\nY Mg\n2 4\ndirect\n0.223782 0.776218 0.250000 Y\n0.776218 0.223782 0.750000 Y\n0.553076 0.446924 0.250000 Mg\n0.893921 0.106079 0.250000 Mg\n0.106079 0.893921 0.750000 Mg\n0.446924 0.553076 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.829123472078739,
"density_atomic": 0.037168180501736744,
"volume": 161.42840244008286,
"volume_molar": 16.202409369268445,
"formula_full": "Y2 Mg4",
"formula_reduced": "YMg2",
"formula_anonymous": "AB2",
"energy": -19.03580561,
"energy_per_atom": -3.1726342683333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.03580561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1370449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.847000Z",
"spacegroup": 63
},
{
"id": "mp-1229080",
"created_at": "2022-09-04T14:48:31.571125Z",
"structure_string": "Ce5 Cu19 P12\n1.0\n10.901593 6.292987 0.000000\n-10.901593 6.292987 0.000000\n0.000000 0.024315 3.888908\nCe Cu P\n5 19 12\ndirect\n0.333543 0.666734 0.000313 Ce\n0.666734 0.333543 0.000313 Ce\n0.186289 0.000114 0.500478 Ce\n0.813725 0.813725 0.501719 Ce\n0.000114 0.186289 0.500478 Ce\n0.360372 0.881828 0.491394 Cu\n0.521403 0.639556 0.512789 Cu\n0.118036 0.478384 0.488029 Cu\n0.639556 0.521403 0.512789 Cu\n0.478384 0.118036 0.488029 Cu\n0.881828 0.360372 0.491394 Cu\n0.173590 0.793562 0.005078 Cu\n0.620580 0.827345 0.004982 Cu\n0.206448 0.380048 0.995169 Cu\n0.827345 0.620580 0.004982 Cu\n0.380048 0.206448 0.995169 Cu\n0.793562 0.173590 0.005078 Cu\n0.000077 0.000077 0.001274 Cu\n0.999996 0.711668 0.496026 Cu\n0.711668 0.999996 0.496026 Cu\n0.288072 0.288072 0.503586 Cu\n0.999558 0.544884 0.921507 Cu\n0.544884 0.999558 0.921507 Cu\n0.454699 0.454699 0.080453 Cu\n0.175573 0.175573 0.002249 P\n0.999946 0.824575 0.998411 P\n0.824575 0.999946 0.998411 P\n0.311624 0.484988 0.496268 P\n0.173371 0.688229 0.505772 P\n0.515282 0.826749 0.503176 P\n0.688229 0.173371 0.505772 P\n0.826749 0.515282 0.503176 P\n0.484988 0.311624 0.496268 P\n0.361499 0.999920 0.997650 P\n0.638569 0.638569 0.005241 P\n0.999920 0.361499 0.997650 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ce",
"Cu",
"P"
],
"chemical_system": "Ce-Cu-P",
"density": 7.094319438488855,
"density_atomic": 0.06746803123463714,
"volume": 533.5860457347702,
"volume_molar": 8.92591743051829,
"formula_full": "Ce5 Cu19 P12",
"formula_reduced": "Ce5Cu19P12",
"formula_anonymous": "A5B12C19",
"energy": -191.57225685,
"energy_per_atom": -5.321451579166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.57225685,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.733458,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.834000Z",
"spacegroup": 8
},
{
"id": "mp-7774",
"created_at": "2022-09-04T14:48:31.001500Z",
"structure_string": "Na4 Sb2 Au2\n1.0\n3.797492 -4.695866 0.000000\n3.797492 4.695866 0.000000\n0.000000 0.000000 5.929431\nNa Sb Au\n4 2 2\ndirect\n0.015517 0.656409 0.250000 Na\n0.984483 0.343591 0.750000 Na\n0.656409 0.015517 0.250000 Na\n0.343591 0.984483 0.750000 Na\n0.798126 0.798126 0.750000 Sb\n0.201874 0.201874 0.250000 Sb\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Sb",
"Au"
],
"chemical_system": "Au-Na-Sb",
"density": 5.727519164517034,
"density_atomic": 0.03782983164938018,
"volume": 211.47331751689345,
"volume_molar": 15.919026063386326,
"formula_full": "Na4 Sb2 Au2",
"formula_reduced": "Na2SbAu",
"formula_anonymous": "ABC2",
"energy": -24.17032216,
"energy_per_atom": -3.02129027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.78632216,
"band_gap": 0.3617999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009513,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:55.815000Z",
"spacegroup": 63
},
{
"id": "mp-634410",
"created_at": "2022-09-04T14:48:29.984782Z",
"structure_string": "Na1 N3\n1.0\n2.140065 2.679230 0.000000\n-2.140065 2.679230 0.000000\n0.000000 1.804271 4.387288\nNa N\n1 3\ndirect\n0.962970 0.037030 0.500000 Na\n0.020824 0.979176 0.000000 N\n0.230434 0.192425 0.813197 N\n0.807575 0.769566 0.186803 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"N"
],
"chemical_system": "N-Na",
"density": 2.145681656999234,
"density_atomic": 0.07950544809380275,
"volume": 50.31101762083887,
"volume_molar": 7.574500747288299,
"formula_full": "Na1 N3",
"formula_reduced": "NaN3",
"formula_anonymous": "AB3",
"energy": -26.74007205,
"energy_per_atom": -6.6850180125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.65707205,
"band_gap": 4.5186,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001959,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.800000Z",
"spacegroup": 5
},
{
"id": "mp-18217",
"created_at": "2022-09-04T14:48:30.644017Z",
"structure_string": "K12 Al4 Se12\n1.0\n13.313128 0.000000 0.000000\n0.000000 8.196072 0.000000\n0.000000 6.482152 8.350091\nK Al Se\n12 4 12\ndirect\n0.311804 0.151070 0.074631 K\n0.688196 0.848930 0.925369 K\n0.811804 0.848930 0.425369 K\n0.897854 0.321697 0.398569 K\n0.619302 0.377395 0.470455 K\n0.119302 0.622605 0.029545 K\n0.380698 0.622605 0.529545 K\n0.880698 0.377395 0.970455 K\n0.602146 0.321697 0.898569 K\n0.102146 0.678303 0.601431 K\n0.397854 0.678303 0.101431 K\n0.188196 0.151070 0.574631 K\n0.062276 0.942878 0.158041 Al\n0.562276 0.057122 0.341959 Al\n0.437724 0.942878 0.658041 Al\n0.937724 0.057122 0.841959 Al\n0.398678 0.172450 0.368111 Se\n0.898678 0.827550 0.131889 Se\n0.601322 0.827550 0.631889 Se\n0.101322 0.172450 0.868111 Se\n0.685989 0.325337 0.198765 Se\n0.185989 0.674663 0.301235 Se\n0.314011 0.674663 0.801235 Se\n0.814011 0.325337 0.698765 Se\n0.546619 0.870649 0.237639 Se\n0.046619 0.129351 0.262361 Se\n0.453381 0.129351 0.762361 Se\n0.953381 0.870649 0.737639 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Al",
"Se"
],
"chemical_system": "Al-K-Se",
"density": 2.778659097628999,
"density_atomic": 0.030731301284205568,
"volume": 911.1231490347163,
"volume_molar": 19.59611376136257,
"formula_full": "K12 Al4 Se12",
"formula_reduced": "K3AlSe3",
"formula_anonymous": "AB3C3",
"energy": -109.20383621,
"energy_per_atom": -3.9001370075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.53983621,
"band_gap": 2.4697,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001977,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:55.798000Z",
"spacegroup": 14
},
{
"id": "mp-1215196",
"created_at": "2022-09-04T14:48:31.245155Z",
"structure_string": "Zr1 U1 Nb1\n1.0\n0.000000 2.576429 7.409409\n1.615597 0.000000 7.409409\n1.615597 2.576429 0.000000\nZr U Nb\n1 1 1\ndirect\n0.335159 0.335159 0.664841 Zr\n0.659138 0.659138 0.340862 U\n0.005702 0.005702 0.994298 Nb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"U",
"Nb"
],
"chemical_system": "Nb-U-Zr",
"density": 11.364770423373349,
"density_atomic": 0.04863584588056128,
"volume": 61.68289963265626,
"volume_molar": 12.38210346909361,
"formula_full": "Zr1 U1 Nb1",
"formula_reduced": "ZrUNb",
"formula_anonymous": "ABC",
"energy": -29.46052247,
"energy_per_atom": -9.820174156666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.46052247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0509668,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.793000Z",
"spacegroup": 42
},
{
"id": "mp-1114309",
"created_at": "2022-09-04T14:48:30.598635Z",
"structure_string": "Cs2 Ag1 Bi1 F6\n1.0\n6.746958 -0.000000 -0.000000\n3.373479 5.843037 -0.000000\n3.373479 1.947679 5.508868\nCs Ag Bi F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.239075 0.760925 0.239075 F\n0.760925 0.760925 0.239075 F\n0.760925 0.239075 0.760925 F\n0.760925 0.239075 0.239075 F\n0.239075 0.760925 0.760925 F\n0.239075 0.239075 0.760925 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Ag",
"Bi",
"F"
],
"chemical_system": "Ag-Bi-Cs-F",
"density": 5.326656380689301,
"density_atomic": 0.04604590262152163,
"volume": 217.17458950030547,
"volume_molar": 13.078559474660576,
"formula_full": "Cs2 Ag1 Bi1 F6",
"formula_reduced": "Cs2AgBiF6",
"formula_anonymous": "ABC2D6",
"energy": -45.69390708,
"energy_per_atom": -4.569390708,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.92190708,
"band_gap": 2.7645,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.746000Z",
"spacegroup": 225
},
{
"id": "mp-1174951",
"created_at": "2022-09-04T14:48:30.667748Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.049216 0.000000 0.000000\n0.901151 5.085091 0.000000\n0.816995 2.451941 8.391211\nLi Mn Co O\n7 2 3 12\ndirect\n0.243849 0.417313 0.091846 Li\n0.751757 0.587726 0.911443 Li\n0.255470 0.756070 0.743710 Li\n0.241929 0.074998 0.421673 Li\n0.752953 0.242321 0.261696 Li\n0.755661 0.913165 0.577065 Li\n0.003089 0.668046 0.334877 Li\n0.997840 0.995217 0.002439 Mn\n0.498985 0.831005 0.170610 Mn\n0.496014 0.171499 0.823423 Co\n0.994640 0.338920 0.657166 Co\n0.494814 0.515008 0.495437 Co\n0.138919 0.033673 0.192449 O\n0.634413 0.175823 0.037737 O\n0.119689 0.339493 0.875760 O\n0.143523 0.685181 0.547926 O\n0.607190 0.870304 0.363015 O\n0.627381 0.526072 0.711079 O\n0.358665 0.806621 0.970075 O\n0.877614 0.970575 0.804362 O\n0.382407 0.135490 0.630952 O\n0.396906 0.489136 0.283878 O\n0.857833 0.661409 0.118492 O\n0.868460 0.294937 0.472891 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.063711564912989,
"density_atomic": 0.11139454425763365,
"volume": 215.45040791668148,
"volume_molar": 5.4061361803069765,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.81218037,
"energy_per_atom": -6.575507515416667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.31818037,
"band_gap": 0.5341,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000474,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.736000Z",
"spacegroup": 1
},
{
"id": "mp-559415",
"created_at": "2022-09-04T14:48:29.909739Z",
"structure_string": "Na2 Cu2 Si4 O11\n1.0\n5.246209 0.000000 0.000000\n-1.192843 6.251541 0.000000\n-0.984970 -1.179066 8.218879\nNa Cu Si O\n2 2 4 11\ndirect\n0.868493 0.352229 0.195224 Na\n0.131507 0.647771 0.804776 Na\n0.296622 0.111444 0.071261 Cu\n0.703378 0.888556 0.928739 Cu\n0.405956 0.656076 0.189601 Si\n0.015449 0.134720 0.679064 Si\n0.594044 0.343924 0.810399 Si\n0.984551 0.865280 0.320936 Si\n0.291539 0.321616 0.715075 O\n0.708461 0.678384 0.284925 O\n0.595242 0.173719 0.945937 O\n0.404758 0.826281 0.054063 O\n0.002836 0.976954 0.816551 O\n0.997164 0.023046 0.183449 O\n0.221381 0.727779 0.327260 O\n0.722848 0.587717 0.890093 O\n0.778619 0.272221 0.672740 O\n0.000000 0.000000 0.500000 O\n0.277152 0.412283 0.109907 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Na",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Na-O-Si",
"density": 2.8424180992357364,
"density_atomic": 0.07048688888000254,
"volume": 269.55367589489947,
"volume_molar": 8.543632519023703,
"formula_full": "Na2 Cu2 Si4 O11",
"formula_reduced": "Na2Cu2Si4O11",
"formula_anonymous": "A2B2C4D11",
"energy": -135.72469848999998,
"energy_per_atom": -7.14340518368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.16769849,
"band_gap": 0.0952000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9992693,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:55.713000Z",
"spacegroup": 2
}
]
}