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=energy_above_hull&page=69",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=67",
"results": [
{
"id": "mp-974739",
"created_at": "2022-09-04T14:47:10.850296Z",
"structure_string": "Rb3 Tl1\n1.0\n0.000000 4.912318 4.912318\n4.912318 0.000000 4.912318\n4.912318 4.912318 0.000000\nRb Tl\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tl"
],
"chemical_system": "Rb-Tl",
"density": 3.2274507032126274,
"density_atomic": 0.01687215576094028,
"volume": 237.07699577194285,
"volume_molar": 35.692775987414116,
"formula_full": "Rb3 Tl1",
"formula_reduced": "Rb3Tl",
"formula_anonymous": "AB3",
"energy": -5.0444306,
"energy_per_atom": -1.26110765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.0444306,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5137009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.253000Z",
"spacegroup": 225
},
{
"id": "mp-1215625",
"created_at": "2022-09-04T14:47:10.854275Z",
"structure_string": "Zr3 Ge1 Mo8\n1.0\n8.828066 -2.678498 0.000000\n8.828066 2.678498 0.000000\n8.015391 0.000000 4.567561\nZr Ge Mo\n3 1 8\ndirect\n0.625147 0.625147 0.625147 Zr\n0.001730 0.001730 0.001730 Zr\n0.498650 0.498650 0.498650 Zr\n0.125210 0.125210 0.125210 Ge\n0.563010 0.064759 0.563010 Mo\n0.061974 0.559573 0.061974 Mo\n0.064759 0.563010 0.563010 Mo\n0.559573 0.061974 0.061974 Mo\n0.812981 0.812981 0.812981 Mo\n0.311982 0.311982 0.311982 Mo\n0.563010 0.563010 0.064759 Mo\n0.061974 0.061974 0.559573 Mo\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"Mo"
],
"chemical_system": "Ge-Mo-Zr",
"density": 8.562439951364324,
"density_atomic": 0.055553317183183466,
"volume": 216.0087031424384,
"volume_molar": 10.840290130906821,
"formula_full": "Zr3 Ge1 Mo8",
"formula_reduced": "Zr3GeMo8",
"formula_anonymous": "AB3C8",
"energy": -117.12390697,
"energy_per_atom": -9.760325580833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.12390697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.145000Z",
"spacegroup": 160
},
{
"id": "mp-1105438",
"created_at": "2022-09-04T14:47:10.854869Z",
"structure_string": "Zn2 As2 Pb1 O10\n1.0\n3.355278 4.275594 0.000000\n-3.355278 4.275594 0.000000\n0.000000 2.779825 7.128098\nZn As Pb O\n2 2 1 10\ndirect\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.567759 0.567759 0.224031 As\n0.432241 0.432241 0.775969 As\n0.000000 0.000000 0.000000 Pb\n0.921263 0.921263 0.550442 O\n0.078737 0.078737 0.449558 O\n0.284869 0.284869 0.996987 O\n0.715131 0.715131 0.003013 O\n0.656213 0.231052 0.259136 O\n0.343787 0.768948 0.740864 O\n0.768948 0.343787 0.740864 O\n0.231052 0.656213 0.259136 O\n0.677779 0.677779 0.379594 O\n0.322221 0.322221 0.620406 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Zn",
"As",
"Pb",
"O"
],
"chemical_system": "As-O-Pb-Zn",
"density": 5.2601535347111446,
"density_atomic": 0.07334366927097852,
"volume": 204.51662903011285,
"volume_molar": 8.210852851866946,
"formula_full": "Zn2 As2 Pb1 O10",
"formula_reduced": "Zn2As2PbO10",
"formula_anonymous": "AB2C2D10",
"energy": -82.61041249,
"energy_per_atom": -5.5073608326666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.00041249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9870705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.158000Z",
"spacegroup": 12
},
{
"id": "mp-1111287",
"created_at": "2022-09-04T14:47:10.860798Z",
"structure_string": "Li3 Mo1 F6\n1.0\n5.674097 0.000000 0.000000\n2.837049 4.913912 0.000000\n2.837049 1.637971 4.632881\nLi Mo F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.255241 0.744759 0.255241 F\n0.744759 0.744759 0.255241 F\n0.744759 0.255241 0.744759 F\n0.744759 0.255241 0.255241 F\n0.255241 0.744759 0.744759 F\n0.255241 0.255241 0.744759 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Mo",
"F"
],
"chemical_system": "F-Li-Mo",
"density": 2.966347093931419,
"density_atomic": 0.07741492980159179,
"volume": 129.17404983288355,
"volume_molar": 7.779043106328793,
"formula_full": "Li3 Mo1 F6",
"formula_reduced": "Li3MoF6",
"formula_anonymous": "AB3C6",
"energy": -55.62349429,
"energy_per_atom": -5.562349428999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.64949429,
"band_gap": 2.9152,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.741000Z",
"spacegroup": 225
},
{
"id": "mp-1200442",
"created_at": "2022-09-04T14:47:10.869194Z",
"structure_string": "Mg2 P4 H16 O20\n1.0\n0.040645 0.000000 5.396220\n7.281961 0.000000 -0.646999\n0.000000 9.982324 0.000000\nMg P H O\n2 4 16 20\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.765495 0.663827 0.783554 P\n0.265495 0.163827 0.716446 P\n0.234505 0.336173 0.216446 P\n0.734505 0.836173 0.283554 P\n0.579315 0.162606 0.920390 H\n0.079315 0.662606 0.579610 H\n0.420685 0.837394 0.079610 H\n0.920685 0.337394 0.420390 H\n0.691636 0.268402 0.043112 H\n0.191636 0.768402 0.456888 H\n0.308364 0.731598 0.956888 H\n0.808364 0.231598 0.543112 H\n0.864597 0.407259 0.885753 H\n0.364597 0.907259 0.614247 H\n0.135403 0.592741 0.114247 H\n0.635403 0.092741 0.385753 H\n0.404903 0.511373 0.784474 H\n0.904903 0.011373 0.715526 H\n0.595097 0.488627 0.215526 H\n0.095097 0.988627 0.284474 H\n0.743836 0.204973 0.961226 O\n0.243836 0.704973 0.538774 O\n0.256164 0.795027 0.038774 O\n0.756164 0.295027 0.461226 O\n0.854363 0.856802 0.828865 O\n0.354363 0.356802 0.671135 O\n0.145637 0.143198 0.171135 O\n0.645637 0.643198 0.328865 O\n0.768612 0.633896 0.632380 O\n0.268612 0.133896 0.867620 O\n0.231388 0.366104 0.367620 O\n0.731388 0.866104 0.132380 O\n0.939487 0.530167 0.855967 O\n0.439487 0.030167 0.644033 O\n0.060513 0.469833 0.144033 O\n0.560513 0.969833 0.355967 O\n0.490131 0.616490 0.838802 O\n0.990131 0.116490 0.661198 O\n0.509869 0.383510 0.161198 O\n0.009869 0.883510 0.338802 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 2.1517033921950444,
"density_atomic": 0.10700130853933791,
"volume": 392.51856424315724,
"volume_molar": 5.628100106631895,
"formula_full": "Mg2 P4 H16 O20",
"formula_reduced": "MgP2(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy": -260.50052977,
"energy_per_atom": -6.202393565952382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -246.76052977,
"band_gap": 5.4596,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020931,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.213000Z",
"spacegroup": 14
},
{
"id": "mp-1182631",
"created_at": "2022-09-04T14:47:10.875452Z",
"structure_string": "Cd6 S6 O40\n1.0\n9.704497 0.000000 0.000000\n0.831524 9.973564 0.000000\n0.825478 0.769456 9.944925\nCd S O\n6 6 40\ndirect\n0.751566 0.002440 0.997760 Cd\n0.249309 0.000487 0.999321 Cd\n0.499082 0.754521 0.498236 Cd\n0.999898 0.501827 0.244887 Cd\n0.498898 0.245970 0.496250 Cd\n0.999119 0.502793 0.752785 Cd\n0.749171 0.486828 0.511950 S\n0.249032 0.514252 0.485364 S\n0.476131 0.000084 0.248969 S\n0.025463 0.750830 0.997324 S\n0.526190 0.994140 0.748512 S\n0.972956 0.251463 0.005241 S\n0.860046 0.451924 0.605793 O\n0.637308 0.394090 0.545913 O\n0.135843 0.550298 0.394592 O\n0.360510 0.606761 0.449499 O\n0.692635 0.628080 0.526633 O\n0.806658 0.471551 0.371105 O\n0.305184 0.373045 0.468655 O\n0.194159 0.528101 0.627343 O\n0.576050 0.050911 0.139050 O\n0.928193 0.863310 0.946416 O\n0.425691 0.948897 0.860663 O\n0.070096 0.136354 0.050753 O\n0.528996 0.862574 0.300006 O\n0.968125 0.697541 0.132473 O\n0.472827 0.128262 0.689660 O\n0.030325 0.311159 0.872995 O\n0.338168 0.994882 0.196497 O\n0.163539 0.801145 0.008104 O\n0.663558 0.004081 0.800651 O\n0.834729 0.202543 0.991474 O\n0.460479 0.091123 0.359782 O\n0.042595 0.642827 0.903121 O\n0.543859 0.894768 0.645471 O\n0.955474 0.352841 0.106272 O\n0.867294 0.936962 0.317548 O\n0.632935 0.680771 0.057951 O\n0.129048 0.076746 0.681114 O\n0.367426 0.313473 0.924983 O\n0.856689 0.797860 0.673372 O\n0.631010 0.331833 0.198106 O\n0.144645 0.192480 0.333711 O\n0.359237 0.661470 0.809377 O\n0.796898 0.719746 0.755745 O\n0.695720 0.250074 0.272900 O\n0.198659 0.274758 0.251585 O\n0.305589 0.742764 0.726202 O\n0.978941 0.893637 0.360712 O\n0.536026 0.625213 0.120396 O\n0.013479 0.114475 0.643538 O\n0.484355 0.349674 0.890899 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Cd",
"S",
"O"
],
"chemical_system": "Cd-O-S",
"density": 2.599495146065481,
"density_atomic": 0.0540229657558078,
"volume": 962.5535968359842,
"volume_molar": 11.147371633058825,
"formula_full": "Cd6 S6 O40",
"formula_reduced": "Cd3S3O20",
"formula_anonymous": "A3B3C20",
"energy": -280.66818698,
"energy_per_atom": -5.397465134230769,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.22818698,
"band_gap": 1.8436,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0009718,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.422000Z",
"spacegroup": 1
},
{
"id": "mp-23432",
"created_at": "2022-09-04T14:47:10.879206Z",
"structure_string": "Ba2 Cl2 F2\n1.0\n4.461107 0.000000 0.000000\n0.000000 4.461107 0.000000\n0.000000 0.000000 7.348872\nBa Cl F\n2 2 2\ndirect\n0.000000 0.500000 0.794420 Ba\n0.500000 0.000000 0.205580 Ba\n0.500000 0.000000 0.647075 Cl\n0.000000 0.500000 0.352925 Cl\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-F",
"density": 4.354846267833492,
"density_atomic": 0.04102468805327437,
"volume": 146.25339727649953,
"volume_molar": 14.679309083788013,
"formula_full": "Ba2 Cl2 F2",
"formula_reduced": "BaClF",
"formula_anonymous": "ABC",
"energy": -32.97449365,
"energy_per_atom": -5.495748941666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.82249365,
"band_gap": 5.6113,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005418,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.969000Z",
"spacegroup": 129
},
{
"id": "mp-862791",
"created_at": "2022-09-04T14:47:10.879544Z",
"structure_string": "Ga1 Cu1 Pt2\n1.0\n0.000000 3.061295 3.061295\n3.061295 0.000000 3.061295\n3.061295 3.061295 0.000000\nGa Cu Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Cu\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Pt"
],
"chemical_system": "Cu-Ga-Pt",
"density": 15.148442177124979,
"density_atomic": 0.0697131086391625,
"volume": 57.37801796652249,
"volume_molar": 8.638462518105184,
"formula_full": "Ga1 Cu1 Pt2",
"formula_reduced": "GaCuPt2",
"formula_anonymous": "ABC2",
"energy": -20.97665452,
"energy_per_atom": -5.24416363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.97665452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001401,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.614000Z",
"spacegroup": 225
},
{
"id": "mp-862831",
"created_at": "2022-09-04T14:47:10.881824Z",
"structure_string": "Pa1 Ti1 Tc2\n1.0\n0.000000 3.282198 3.282198\n3.282198 0.000000 3.282198\n3.282198 3.282198 0.000000\nPa Ti Tc\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pa",
"Ti",
"Tc"
],
"chemical_system": "Pa-Tc-Ti",
"density": 11.151404657601503,
"density_atomic": 0.05656342075078871,
"volume": 70.7170808785327,
"volume_molar": 10.64670537967071,
"formula_full": "Pa1 Ti1 Tc2",
"formula_reduced": "PaTiTc2",
"formula_anonymous": "ABC2",
"energy": -39.50428737,
"energy_per_atom": -9.8760718425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.50428737,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007345,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.769000Z",
"spacegroup": 225
},
{
"id": "mp-861637",
"created_at": "2022-09-04T14:47:10.885333Z",
"structure_string": "Ti2 Al1 Tc1\n1.0\n0.000000 3.144546 3.144546\n3.144546 0.000000 3.144546\n3.144546 3.144546 0.000000\nTi Al Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Tc"
],
"chemical_system": "Al-Tc-Ti",
"density": 5.89356603854033,
"density_atomic": 0.06432149634744509,
"volume": 62.187607987121766,
"volume_molar": 9.362563220653689,
"formula_full": "Ti2 Al1 Tc1",
"formula_reduced": "Ti2AlTc",
"formula_anonymous": "ABC2",
"energy": -31.73967266,
"energy_per_atom": -7.934918165,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73967266,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.186000Z",
"spacegroup": 225
},
{
"id": "mp-1245811",
"created_at": "2022-09-04T14:47:10.888720Z",
"structure_string": "Cu1 As2\n1.0\n0.000000 4.266764 0.000000\n3.033085 -2.133382 2.133382\n0.000000 0.000000 -4.266764\nCu As\n1 2\ndirect\n0.250000 0.500000 0.750000 Cu\n0.000000 0.000000 0.000000 As\n0.500000 0.000000 0.500000 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"As"
],
"chemical_system": "As-Cu",
"density": 6.417113298498724,
"density_atomic": 0.0543299654852945,
"volume": 55.218146619511664,
"volume_molar": 11.084381714967247,
"formula_full": "Cu1 As2",
"formula_reduced": "CuAs2",
"formula_anonymous": "AB2",
"energy": -12.963075540000002,
"energy_per_atom": -4.32102518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.963075540000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.867000Z",
"spacegroup": 225
},
{
"id": "mp-1197772",
"created_at": "2022-09-04T14:47:08.259715Z",
"structure_string": "U4 Co30 Ge4\n1.0\n0.000000 0.000000 -8.263042\n-4.088934 -7.090567 0.000000\n-4.088934 7.090567 0.000000\nU Co Ge\n4 30 4\ndirect\n0.750000 0.999972 0.000028 U\n0.250000 0.000028 0.999972 U\n0.250000 0.666759 0.333241 U\n0.750000 0.333241 0.666759 U\n0.500000 0.500000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.750000 0.671008 0.024414 Co\n0.750000 0.353212 0.328787 Co\n0.750000 0.975698 0.646766 Co\n0.750000 0.353234 0.024302 Co\n0.750000 0.975586 0.328992 Co\n0.750000 0.671213 0.646788 Co\n0.250000 0.328992 0.975586 Co\n0.250000 0.646788 0.671213 Co\n0.250000 0.024302 0.353234 Co\n0.250000 0.646766 0.975698 Co\n0.250000 0.024414 0.671008 Co\n0.250000 0.328787 0.353212 Co\n0.481957 0.837724 0.675446 Co\n0.482029 0.837690 0.162310 Co\n0.481957 0.324554 0.162276 Co\n0.518043 0.162276 0.324554 Co\n0.517971 0.162310 0.837690 Co\n0.518043 0.675446 0.837724 Co\n0.981957 0.162276 0.324554 Co\n0.982029 0.162310 0.837690 Co\n0.981957 0.675446 0.837724 Co\n0.018043 0.837724 0.675446 Co\n0.017971 0.837690 0.162310 Co\n0.018043 0.324554 0.162276 Co\n0.600875 0.666719 0.333281 Ge\n0.399125 0.333281 0.666719 Ge\n0.100875 0.333281 0.666719 Ge\n0.899125 0.666719 0.333281 Ge\n",
"nsites": 38,
"nelements": 3,
"elements": [
"U",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-U",
"density": 10.434014738236453,
"density_atomic": 0.07930901845943278,
"volume": 479.13844778494285,
"volume_molar": 7.593260989707463,
"formula_full": "U4 Co30 Ge4",
"formula_reduced": "U2Co15Ge2",
"formula_anonymous": "A2B2C15",
"energy": -278.7066183,
"energy_per_atom": -7.334384692105263,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -278.7066183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.6555411,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.434000Z",
"spacegroup": 194
}
]
}