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=143",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=141",
"results": [
{
"id": "mp-1199244",
"created_at": "2022-09-04T14:42:14.229303Z",
"structure_string": "Cs4 Cu4 S24\n1.0\n7.584966 0.000000 0.000000\n2.288031 10.702492 0.000000\n1.255906 3.068128 11.075335\nCs Cu S\n4 4 24\ndirect\n0.830930 0.696822 0.578867 Cs\n0.169070 0.303178 0.421133 Cs\n0.680774 0.302313 0.927922 Cs\n0.319226 0.697687 0.072078 Cs\n0.601068 0.493915 0.386505 Cu\n0.398932 0.506085 0.613495 Cu\n0.152589 0.497694 0.870919 Cu\n0.847411 0.502306 0.129081 Cu\n0.368490 0.613839 0.761521 S\n0.631510 0.386161 0.238479 S\n0.197153 0.797652 0.729331 S\n0.802847 0.202348 0.270669 S\n0.316649 0.928065 0.597314 S\n0.683351 0.071935 0.402686 S\n0.220794 0.929818 0.431744 S\n0.779206 0.070182 0.568256 S\n0.404886 0.799156 0.361931 S\n0.595114 0.200844 0.638069 S\n0.680304 0.380307 0.583117 S\n0.319696 0.619693 0.416883 S\n0.159890 0.396515 0.720020 S\n0.840110 0.603485 0.279980 S\n0.107515 0.206601 0.762666 S\n0.892485 0.793399 0.237334 S\n0.286087 0.084037 0.887339 S\n0.713913 0.915963 0.112661 S\n0.167908 0.085177 0.060063 S\n0.832092 0.914823 0.939937 S\n0.712432 0.795187 0.874921 S\n0.287568 0.204813 0.125079 S\n0.852147 0.603458 0.927262 S\n0.147853 0.396542 0.072738 S\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Cs",
"Cu",
"S"
],
"chemical_system": "Cs-Cu-S",
"density": 2.872673203274862,
"density_atomic": 0.03559217734436136,
"volume": 899.0739647758456,
"volume_molar": 16.9198436547857,
"formula_full": "Cs4 Cu4 S24",
"formula_reduced": "CsCuS6",
"formula_anonymous": "ABC6",
"energy": -141.5123994,
"energy_per_atom": -4.42226248125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.4403994,
"band_gap": 1.0787,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.965000Z",
"spacegroup": 2
},
{
"id": "mp-1179917",
"created_at": "2022-09-04T14:42:14.232432Z",
"structure_string": "Pr3\n1.0\n1.856600 -3.215725 0.000000\n1.856600 3.215725 0.000000\n0.000000 0.000000 9.065304\nPr\n3\ndirect\n0.319115 0.000000 0.666667 Pr\n0.000000 0.319115 0.333333 Pr\n0.680885 0.680885 0.000000 Pr\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Pr"
],
"chemical_system": "Pr",
"density": 6.484780909590122,
"density_atomic": 0.027714792950424044,
"volume": 108.24544153609126,
"volume_molar": 21.728976185289742,
"formula_full": "Pr3",
"formula_reduced": "Pr",
"formula_anonymous": "A",
"energy": -14.30187732,
"energy_per_atom": -4.767292439999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.30187732,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0921586,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.927000Z",
"spacegroup": 154
},
{
"id": "mp-867235",
"created_at": "2022-09-04T14:42:14.236226Z",
"structure_string": "Li1 Y2 Ir1\n1.0\n0.000000 3.490455 3.490455\n3.490455 0.000000 3.490455\n3.490455 3.490455 0.000000\nLi Y Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Y",
"Ir"
],
"chemical_system": "Ir-Li-Y",
"density": 7.360027140080492,
"density_atomic": 0.0470309623827083,
"volume": 85.05035400829189,
"volume_molar": 12.8046300881441,
"formula_full": "Li1 Y2 Ir1",
"formula_reduced": "LiY2Ir",
"formula_anonymous": "ABC2",
"energy": -25.93368636,
"energy_per_atom": -6.48342159,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.93368636,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.007000Z",
"spacegroup": 225
},
{
"id": "mp-1183580",
"created_at": "2022-09-04T14:42:14.299527Z",
"structure_string": "Cd3 B1\n1.0\n-2.051151 2.051151 4.429693\n2.051151 -2.051151 4.429693\n2.051151 2.051151 -4.429693\nCd B\n3 1\ndirect\n0.750000 0.250000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"B"
],
"chemical_system": "B-Cd",
"density": 7.752724706232261,
"density_atomic": 0.053657582915487355,
"volume": 74.54677946079207,
"volume_molar": 11.223279977939168,
"formula_full": "Cd3 B1",
"formula_reduced": "Cd3B",
"formula_anonymous": "AB3",
"energy": -6.05145415,
"energy_per_atom": -1.5128635375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.05145415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.816000Z",
"spacegroup": 139
},
{
"id": "mp-1221089",
"created_at": "2022-09-04T14:42:14.180721Z",
"structure_string": "Na1 Ca1 Mg1 Al1 Si4 O12\n1.0\n4.425105 4.849260 0.000000\n-4.425105 4.849260 0.000000\n0.000000 1.590380 5.076192\nNa Ca Mg Al Si O\n1 1 1 1 4 12\ndirect\n0.299541 0.700459 0.500000 Na\n0.699083 0.300917 0.000000 Ca\n0.909987 0.090013 0.500000 Mg\n0.098776 0.901224 0.000000 Al\n0.805788 0.622616 0.471006 Si\n0.377384 0.194212 0.528994 Si\n0.195754 0.384471 0.017735 Si\n0.615529 0.804246 0.982265 Si\n0.893564 0.388046 0.561063 O\n0.611954 0.106436 0.438937 O\n0.105038 0.622209 0.947980 O\n0.377791 0.894962 0.052020 O\n0.973079 0.807840 0.361246 O\n0.192160 0.026921 0.638754 O\n0.034094 0.193508 0.096958 O\n0.806492 0.965906 0.903042 O\n0.656789 0.629628 0.250844 O\n0.370372 0.343211 0.749156 O\n0.334312 0.357486 0.250378 O\n0.642514 0.665688 0.749622 O\n",
"nsites": 20,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Mg",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-Mg-Na-O-Si",
"density": 3.191344397950569,
"density_atomic": 0.09180427588407969,
"volume": 217.8547764513038,
"volume_molar": 6.559760645140424,
"formula_full": "Na1 Ca1 Mg1 Al1 Si4 O12",
"formula_reduced": "NaCaMgAl(SiO3)4",
"formula_anonymous": "ABCDE4F12",
"energy": -154.76291923,
"energy_per_atom": -7.7381459615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -146.51891923,
"band_gap": 5.0296,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034814,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.426000Z",
"spacegroup": 5
},
{
"id": "mp-769317",
"created_at": "2022-09-04T14:42:14.204216Z",
"structure_string": "Ca16 Ta8 O36\n1.0\n5.578095 0.000000 0.000000\n0.000000 9.906748 0.000000\n0.000000 9.666446 14.258919\nCa Ta O\n16 8 36\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.997891 0.785019 0.229967 Ca\n0.481971 0.547731 0.605255 Ca\n0.516714 0.120572 0.073018 Ca\n0.016714 0.879428 0.426982 Ca\n0.981971 0.452269 0.894745 Ca\n0.497891 0.214981 0.270033 Ca\n0.500000 0.000000 0.500000 Ca\n0.502109 0.785019 0.729967 Ca\n0.500000 0.500000 0.000000 Ca\n0.018029 0.547731 0.105255 Ca\n0.983286 0.120572 0.573018 Ca\n0.483286 0.879428 0.926982 Ca\n0.518029 0.452269 0.394745 Ca\n0.002109 0.214981 0.770033 Ca\n0.491182 0.325918 0.835908 Ta\n0.509813 0.831453 0.336326 Ta\n0.991182 0.674082 0.664092 Ta\n0.009813 0.168547 0.163674 Ta\n0.990187 0.831453 0.836326 Ta\n0.008818 0.325918 0.335908 Ta\n0.490187 0.168547 0.663674 Ta\n0.508818 0.674082 0.164092 Ta\n0.590486 0.276216 0.734958 O\n0.321029 0.121856 0.898952 O\n0.797275 0.698689 0.371016 O\n0.330194 0.671359 0.446992 O\n0.788997 0.236066 0.903468 O\n0.117022 0.056814 0.106510 O\n0.884967 0.622377 0.576299 O\n0.197047 0.453773 0.750245 O\n0.710238 0.020328 0.217902 O\n0.210238 0.979672 0.282098 O\n0.697047 0.546227 0.749755 O\n0.384967 0.377623 0.923701 O\n0.617022 0.943186 0.393490 O\n0.288997 0.763934 0.596532 O\n0.830194 0.328641 0.053008 O\n0.297275 0.301311 0.128984 O\n0.821029 0.878144 0.601048 O\n0.090486 0.723784 0.765042 O\n0.909514 0.276216 0.234958 O\n0.178971 0.121856 0.398952 O\n0.702725 0.698689 0.871016 O\n0.169806 0.671359 0.946992 O\n0.711003 0.236066 0.403468 O\n0.382978 0.056814 0.606510 O\n0.615033 0.622377 0.076299 O\n0.302953 0.453773 0.250245 O\n0.789762 0.020328 0.717902 O\n0.289762 0.979672 0.782098 O\n0.802953 0.546227 0.249755 O\n0.115033 0.377623 0.423701 O\n0.882978 0.943186 0.893490 O\n0.211003 0.763934 0.096532 O\n0.669806 0.328641 0.553008 O\n0.202725 0.301311 0.628984 O\n0.678971 0.878144 0.101048 O\n0.409514 0.723784 0.265042 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Ta",
"density": 5.615799985086247,
"density_atomic": 0.07614609321231418,
"volume": 787.9590070721703,
"volume_molar": 7.9086667561640756,
"formula_full": "Ca16 Ta8 O36",
"formula_reduced": "Ca4Ta2O9",
"formula_anonymous": "A2B4C9",
"energy": -514.26456914,
"energy_per_atom": -8.571076152333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -489.53256914,
"band_gap": 3.7748,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0188944,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.877000Z",
"spacegroup": 14
},
{
"id": "mp-1184090",
"created_at": "2022-09-04T14:42:14.215653Z",
"structure_string": "Er2 Mg1 Ga1\n1.0\n0.000000 3.624985 3.624985\n3.624985 0.000000 3.624985\n3.624985 3.624985 0.000000\nEr Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Mg",
"Ga"
],
"chemical_system": "Er-Ga-Mg",
"density": 7.469609637437277,
"density_atomic": 0.04198666250479064,
"volume": 95.26834859864375,
"volume_molar": 14.342985130844536,
"formula_full": "Er2 Mg1 Ga1",
"formula_reduced": "Er2MgGa",
"formula_anonymous": "ABC2",
"energy": -15.06287197,
"energy_per_atom": -3.7657179925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.06287197,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.732000Z",
"spacegroup": 225
},
{
"id": "mp-556878",
"created_at": "2022-09-04T14:42:14.238582Z",
"structure_string": "Bi2 P2 Pb2 O10\n1.0\n5.913884 0.000000 0.000000\n-1.417707 6.958493 0.000000\n-2.324501 -2.612257 6.186351\nBi P Pb O\n2 2 2 10\ndirect\n0.616997 0.268586 0.557643 Bi\n0.383003 0.731414 0.442357 Bi\n0.178993 0.656091 0.858269 P\n0.821007 0.343909 0.141731 P\n0.167410 0.108845 0.822063 Pb\n0.832590 0.891155 0.177937 Pb\n0.258278 0.998278 0.472886 O\n0.935406 0.583410 0.284741 O\n0.657752 0.311092 0.905414 O\n0.365314 0.769191 0.781962 O\n0.342248 0.688908 0.094586 O\n0.741722 0.001722 0.527114 O\n0.962346 0.750886 0.842683 O\n0.064594 0.416590 0.715259 O\n0.037654 0.249114 0.157317 O\n0.634686 0.230809 0.218038 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Bi",
"P",
"Pb",
"O"
],
"chemical_system": "Bi-O-P-Pb",
"density": 6.8768841424952845,
"density_atomic": 0.06284886354571692,
"volume": 254.57898675226537,
"volume_molar": 9.581940579751983,
"formula_full": "Bi2 P2 Pb2 O10",
"formula_reduced": "BiPPbO5",
"formula_anonymous": "ABCD5",
"energy": -111.12037756,
"energy_per_atom": -6.9450235975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.25037756,
"band_gap": 3.3519000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0052803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:41.884000Z",
"spacegroup": 2
},
{
"id": "mp-5591",
"created_at": "2022-09-04T14:42:14.248511Z",
"structure_string": "U1 Ni2 Ge2\n1.0\n-2.025516 2.025516 4.893874\n2.025516 -2.025516 4.893874\n2.025516 2.025516 -4.893874\nU Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.626282 0.626282 0.000000 Ge\n0.373718 0.373718 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"U",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-U",
"density": 10.352347380427368,
"density_atomic": 0.062256667969948644,
"volume": 80.31268236863407,
"volume_molar": 9.673085560741692,
"formula_full": "U1 Ni2 Ge2",
"formula_reduced": "U(NiGe)2",
"formula_anonymous": "AB2C2",
"energy": -33.82643831,
"energy_per_atom": -6.765287662,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.82643831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0201167,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.998000Z",
"spacegroup": 139
},
{
"id": "mp-1247141",
"created_at": "2022-09-04T14:42:14.251929Z",
"structure_string": "Si4 Sn10 N12\n1.0\n5.427085 -1.251589 0.662850\n-4.097885 6.660189 0.000000\n-0.071284 -0.043859 15.612730\nSi Sn N\n4 10 12\ndirect\n0.529029 0.946139 0.569497 Si\n0.470971 0.417110 0.930503 Si\n0.470971 0.053861 0.430503 Si\n0.529029 0.582890 0.069497 Si\n0.000000 0.552255 0.750000 Sn\n0.000000 0.447745 0.250000 Sn\n0.175883 0.882605 0.953110 Sn\n0.824117 0.706722 0.546890 Sn\n0.824117 0.117395 0.046890 Sn\n0.175883 0.293278 0.453110 Sn\n0.326838 0.180702 0.649032 Sn\n0.673162 0.853865 0.850968 Sn\n0.673162 0.819298 0.350968 Sn\n0.326838 0.146135 0.149032 Sn\n0.191940 0.827693 0.650949 N\n0.808060 0.635753 0.849051 N\n0.808060 0.172307 0.349051 N\n0.191940 0.364247 0.150949 N\n0.618926 0.200586 0.526253 N\n0.381074 0.581660 0.973747 N\n0.381074 0.799414 0.473747 N\n0.618926 0.418340 0.026253 N\n0.889545 0.017308 0.585045 N\n0.110455 0.127763 0.914955 N\n0.110455 0.982692 0.414955 N\n0.889545 0.872237 0.085045 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Si",
"Sn",
"N"
],
"chemical_system": "N-Si-Sn",
"density": 5.0277384966785,
"density_atomic": 0.05364289311633224,
"volume": 484.6867588520124,
"volume_molar": 11.226353408903828,
"formula_full": "Si4 Sn10 N12",
"formula_reduced": "Si2Sn5N6",
"formula_anonymous": "A2B5C6",
"energy": -167.23084051,
"energy_per_atom": -6.431955404230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -162.89884051,
"band_gap": 0.9577999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047611,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.134000Z",
"spacegroup": 15
},
{
"id": "mp-1096134",
"created_at": "2022-09-04T14:42:14.275284Z",
"structure_string": "Be1 Ge1 Pt2\n1.0\n-4.469837 6.187940 8.742377\n4.469837 -6.187940 8.742377\n4.469837 6.187940 -8.742377\nBe Ge Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ge\n0.000000 0.243890 0.243890 Pt\n0.000000 0.756110 0.756110 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ge",
"Pt"
],
"chemical_system": "Be-Ge-Pt",
"density": 0.810024787719362,
"density_atomic": 0.0041355444116384825,
"volume": 967.2245300384091,
"volume_molar": 145.6190566604037,
"formula_full": "Be1 Ge1 Pt2",
"formula_reduced": "BeGePt2",
"formula_anonymous": "ABC2",
"energy": -13.69212396,
"energy_per_atom": -3.42303099,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.69212396,
"band_gap": 0.072,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0030895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.026000Z",
"spacegroup": 71
},
{
"id": "mp-996952",
"created_at": "2022-09-04T14:42:14.206822Z",
"structure_string": "La1 Au1 O2\n1.0\n6.119381 -1.948279 0.000000\n6.119381 1.948279 0.000000\n5.499091 0.000000 3.317018\nLa Au O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Au\n0.612598 0.612598 0.612598 O\n0.387402 0.387402 0.387402 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Au",
"O"
],
"chemical_system": "Au-La-O",
"density": 7.723390492942948,
"density_atomic": 0.05057355982382888,
"volume": 79.09271196122741,
"volume_molar": 11.907686113016178,
"formula_full": "La1 Au1 O2",
"formula_reduced": "LaAuO2",
"formula_anonymous": "ABC2",
"energy": -28.35797734,
"energy_per_atom": -7.089494335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.98397734,
"band_gap": 2.6833,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.33e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.881000Z",
"spacegroup": 166
}
]
}