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=-total_magnetization&page=10241",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=10239",
"results": [
{
"id": "mp-19021",
"created_at": "2022-09-04T14:48:23.103660Z",
"structure_string": "Ba2 Co4 P4 O16\n1.0\n-2.116361 -4.198625 1.379744\n4.555234 -0.063919 15.538951\n-4.706188 -0.044533 1.371040\nBa Co P O\n2 4 4 16\ndirect\n0.999908 0.500114 0.500069 Ba\n0.999776 0.999769 0.000257 Ba\n0.830511 0.754757 0.584896 Co\n0.168844 0.245554 0.414915 Co\n0.832183 0.254096 0.085998 Co\n0.169561 0.745231 0.915022 Co\n0.426585 0.859395 0.286960 P\n0.426880 0.359674 0.786541 P\n0.573421 0.640646 0.213001 P\n0.573200 0.140392 0.713670 P\n0.362401 0.955429 0.318805 O\n0.362880 0.455716 0.817531 O\n0.636962 0.544627 0.181468 O\n0.635900 0.044341 0.682387 O\n0.562363 0.672610 0.522242 O\n0.563588 0.172600 0.021454 O\n0.243356 0.672479 0.233661 O\n0.242603 0.172415 0.734824 O\n0.437852 0.827460 0.977575 O\n0.438770 0.327542 0.476370 O\n0.148579 0.827916 0.585754 O\n0.148924 0.328144 0.084411 O\n0.851629 0.672044 0.914156 O\n0.850894 0.171667 0.414756 O\n0.756742 0.827696 0.266197 O\n0.755688 0.327685 0.767084 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Co",
"P",
"O"
],
"chemical_system": "Ba-Co-O-P",
"density": 4.462345170280401,
"density_atomic": 0.07848101034495679,
"volume": 331.2903323456101,
"volume_molar": 7.6733731300478665,
"formula_full": "Ba2 Co4 P4 O16",
"formula_reduced": "BaCo2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -199.42574645,
"energy_per_atom": -7.670221017307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.88174645,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:09Z",
"spacegroup": 148
},
{
"id": "mp-1112999",
"created_at": "2022-09-04T14:41:51.591529Z",
"structure_string": "Cs2 Li1 Tl1 Cl6\n1.0\n0.000000 5.301044 5.301044\n5.301044 0.000000 5.301044\n5.301044 5.301044 0.000000\nCs Li Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Tl\n0.750922 0.249078 0.249078 Cl\n0.249078 0.249078 0.750922 Cl\n0.249078 0.750922 0.750922 Cl\n0.249078 0.750922 0.249078 Cl\n0.750922 0.249078 0.750922 Cl\n0.750922 0.750922 0.249078 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Tl",
"Cl"
],
"chemical_system": "Cl-Cs-Li-Tl",
"density": 3.8449576476190748,
"density_atomic": 0.0335649324387502,
"volume": 297.92999042224056,
"volume_molar": 17.941763389481846,
"formula_full": "Cs2 Li1 Tl1 Cl6",
"formula_reduced": "Cs2LiTlCl6",
"formula_anonymous": "ABC2D6",
"energy": -35.42311039,
"energy_per_atom": -3.542311039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.73911039,
"band_gap": 1.5236,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.472000Z",
"spacegroup": 225
},
{
"id": "mp-865731",
"created_at": "2022-09-04T14:44:30.017182Z",
"structure_string": "Li2 Hg1 Pd1\n1.0\n0.000000 3.144766 3.144766\n3.144766 0.000000 3.144766\n3.144766 3.144766 0.000000\nLi Hg Pd\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pd"
],
"chemical_system": "Hg-Li-Pd",
"density": 8.566688700067651,
"density_atomic": 0.06430799797656178,
"volume": 62.2006612841201,
"volume_molar": 9.364528440451341,
"formula_full": "Li2 Hg1 Pd1",
"formula_reduced": "Li2HgPd",
"formula_anonymous": "ABC2",
"energy": -10.98912296,
"energy_per_atom": -2.74728074,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.98912296,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.519000Z",
"spacegroup": 225
},
{
"id": "mp-3011",
"created_at": "2022-09-04T14:44:30.220909Z",
"structure_string": "Th1 Ge2 Rh2\n1.0\n-2.104019 2.104019 5.223833\n2.104019 -2.104019 5.223833\n2.104019 2.104019 -5.223833\nTh Ge Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.621752 0.621752 0.000000 Ge\n0.378248 0.378248 0.000000 Ge\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Th",
"density": 10.468035619688905,
"density_atomic": 0.05405320050783072,
"volume": 92.50146065403929,
"volume_molar": 11.141136331284525,
"formula_full": "Th1 Ge2 Rh2",
"formula_reduced": "Th(GeRh)2",
"formula_anonymous": "AB2C2",
"energy": -35.7482147,
"energy_per_atom": -7.14964294,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.7482147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.256000Z",
"spacegroup": 139
},
{
"id": "mp-1095829",
"created_at": "2022-09-04T14:48:06.199986Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-6.111598 6.123834 8.819410\n6.111598 -6.123834 8.819410\n6.111598 6.123834 -8.819410\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254883 0.254883 Mg\n0.000000 0.745117 0.745117 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Mg",
"Tl"
],
"chemical_system": "Mg-Na-Tl",
"density": 0.34709936877868136,
"density_atomic": 0.003029578970431725,
"volume": 1320.3154758596659,
"volume_molar": 198.77814108083226,
"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
"formula_anonymous": "ABC2",
"energy": -2.71441201,
"energy_per_atom": -0.6786030025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.71441201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.430000Z",
"spacegroup": 71
},
{
"id": "mp-1016372",
"created_at": "2022-09-04T14:45:23.556973Z",
"structure_string": "Cs1 Mg6 Sb1\n1.0\n3.418211 -8.673836 0.000000\n3.418211 8.673836 0.000000\n0.000000 0.000000 4.263710\nCs Mg Sb\n1 6 1\ndirect\n0.719087 0.280913 0.500000 Cs\n0.204546 0.365067 0.500000 Mg\n0.634933 0.795454 0.500000 Mg\n0.139018 0.860982 0.500000 Mg\n0.305588 0.207134 0.000000 Mg\n0.792866 0.694412 0.000000 Mg\n0.301604 0.698396 0.000000 Mg\n0.902256 0.097744 0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Sb"
],
"chemical_system": "Cs-Mg-Sb",
"density": 2.630382813739735,
"density_atomic": 0.031641878552877915,
"volume": 252.82948945748916,
"volume_molar": 19.0321846723992,
"formula_full": "Cs1 Mg6 Sb1",
"formula_reduced": "CsMg6Sb",
"formula_anonymous": "ABC6",
"energy": -14.03338672,
"energy_per_atom": -1.75417334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.84138672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.158000Z",
"spacegroup": 38
},
{
"id": "mp-1207143",
"created_at": "2022-09-04T14:46:39.784080Z",
"structure_string": "La1 Cd2 Cu1\n1.0\n0.000000 3.576729 3.576729\n3.576729 0.000000 3.576729\n3.576729 3.576729 0.000000\nLa Cd Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Cd",
"Cu"
],
"chemical_system": "Cd-Cu-La",
"density": 7.752948901552651,
"density_atomic": 0.04370910237546206,
"volume": 91.51411908759692,
"volume_molar": 13.777772666822784,
"formula_full": "La1 Cd2 Cu1",
"formula_reduced": "LaCd2Cu",
"formula_anonymous": "ABC2",
"energy": -11.71363302,
"energy_per_atom": -2.928408255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.71363302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.007000Z",
"spacegroup": 216
},
{
"id": "mp-865897",
"created_at": "2022-09-04T14:41:23.100834Z",
"structure_string": "Li2 Ac1 In1\n1.0\n0.000000 3.673656 3.673656\n3.673656 0.000000 3.673656\n3.673656 3.673656 0.000000\nLi Ac In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Ac\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ac",
"In"
],
"chemical_system": "Ac-In-Li",
"density": 5.956724398907113,
"density_atomic": 0.04033987383878741,
"volume": 99.15747421485335,
"volume_molar": 14.928506678197934,
"formula_full": "Li2 Ac1 In1",
"formula_reduced": "Li2AcIn",
"formula_anonymous": "ABC2",
"energy": -11.69184179,
"energy_per_atom": -2.9229604475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.69184179,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.334000Z",
"spacegroup": 225
},
{
"id": "mp-21424",
"created_at": "2022-09-04T14:46:14.334624Z",
"structure_string": "Tb4 Ni4 Ge4\n1.0\n4.240061 0.000000 0.000000\n0.000000 6.977814 0.000000\n0.000000 0.000000 7.304618\nTb Ni Ge\n4 4 4\ndirect\n0.250000 0.492187 0.206274 Tb\n0.250000 0.992187 0.293726 Tb\n0.750000 0.007813 0.706274 Tb\n0.750000 0.507813 0.793726 Tb\n0.750000 0.806591 0.083392 Ni\n0.250000 0.193409 0.916608 Ni\n0.750000 0.306591 0.416608 Ni\n0.250000 0.693409 0.583392 Ni\n0.750000 0.195827 0.087571 Ge\n0.250000 0.304173 0.587571 Ge\n0.250000 0.804173 0.912429 Ge\n0.750000 0.695827 0.412429 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Tb",
"density": 8.920832949414116,
"density_atomic": 0.05552547001912926,
"volume": 216.11703594523092,
"volume_molar": 10.84572675913467,
"formula_full": "Tb4 Ni4 Ge4",
"formula_reduced": "TbNiGe",
"formula_anonymous": "ABC",
"energy": -69.63152301,
"energy_per_atom": -5.8026269175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.63152301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.076000Z",
"spacegroup": 62
},
{
"id": "mp-5918",
"created_at": "2022-09-04T14:46:18.457144Z",
"structure_string": "Hf4 Ni2 P2\n1.0\n3.592911 0.000000 0.000000\n0.000000 5.177630 0.000000\n0.000000 2.492899 6.996034\nHf Ni P\n4 2 2\ndirect\n0.250000 0.221112 0.571611 Hf\n0.750000 0.778888 0.428389 Hf\n0.750000 0.284052 0.925556 Hf\n0.250000 0.715948 0.074444 Hf\n0.250000 0.643875 0.708226 Ni\n0.750000 0.356125 0.291774 Ni\n0.750000 0.860428 0.790306 P\n0.250000 0.139572 0.209694 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Ni",
"P"
],
"chemical_system": "Hf-Ni-P",
"density": 11.397623037403534,
"density_atomic": 0.06146963072778478,
"volume": 130.14556790535482,
"volume_molar": 9.796936615202313,
"formula_full": "Hf4 Ni2 P2",
"formula_reduced": "Hf2NiP",
"formula_anonymous": "ABC2",
"energy": -69.994801,
"energy_per_atom": -8.749350125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.994801,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:22.420000Z",
"spacegroup": 11
},
{
"id": "mp-1215446",
"created_at": "2022-09-04T14:46:11.429361Z",
"structure_string": "Zn2 Se1 S1\n1.0\n6.563667 -1.979076 0.000000\n6.563667 1.979076 0.000000\n5.966937 0.000000 3.375520\nZn Se S\n2 1 1\ndirect\n0.003739 0.003739 0.003739 Zn\n0.496347 0.496347 0.496347 Zn\n0.624657 0.624657 0.624657 Se\n0.125257 0.125257 0.125257 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Se",
"S"
],
"chemical_system": "S-Se-Zn",
"density": 4.579340384813567,
"density_atomic": 0.04561212422080447,
"volume": 87.69598145958595,
"volume_molar": 13.202938610899421,
"formula_full": "Zn2 Se1 S1",
"formula_reduced": "Zn2SeS",
"formula_anonymous": "ABC2",
"energy": -14.12431681,
"energy_per_atom": -3.5310792025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.14931681,
"band_gap": 1.3618,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.453000Z",
"spacegroup": 160
},
{
"id": "mp-3901",
"created_at": "2022-09-04T14:46:35.680456Z",
"structure_string": "Nd2 Nb2 O8\n1.0\n5.756616 3.713483 0.000000\n-5.756616 3.713483 0.000000\n0.000000 3.571865 3.888145\nNd Nb O\n2 2 8\ndirect\n0.372722 0.627278 0.750000 Nd\n0.627278 0.372722 0.250000 Nd\n0.888003 0.111997 0.750000 Nb\n0.111997 0.888003 0.250000 Nb\n0.946838 0.363219 0.841544 O\n0.636781 0.053162 0.658456 O\n0.053162 0.636781 0.158456 O\n0.363219 0.946838 0.341544 O\n0.281636 0.212602 0.818122 O\n0.787398 0.718364 0.681878 O\n0.718364 0.787398 0.181878 O\n0.212602 0.281636 0.318122 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Nb",
"O"
],
"chemical_system": "Nb-Nd-O",
"density": 6.0163766137649795,
"density_atomic": 0.07218718346322077,
"volume": 166.23449515957327,
"volume_molar": 8.342396075154074,
"formula_full": "Nd2 Nb2 O8",
"formula_reduced": "NdNbO4",
"formula_anonymous": "ABC4",
"energy": -111.53289597999998,
"energy_per_atom": -9.294407998333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.03689598,
"band_gap": 3.6592,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001618,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.726000Z",
"spacegroup": 15
}
]
}