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=26",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=24",
"results": [
{
"id": "mp-594",
"created_at": "2022-09-04T14:43:09.379459Z",
"structure_string": "Ni2 S2\n1.0\n1.719335 -2.977976 0.000000\n1.719335 2.977976 0.000000\n0.000000 0.000000 5.181588\nNi S\n2 2\ndirect\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.750000 S\n0.333333 0.666667 0.250000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 5.680562634107112,
"density_atomic": 0.07538508345323708,
"volume": 53.06089503079588,
"volume_molar": 7.988504468175934,
"formula_full": "Ni2 S2",
"formula_reduced": "NiS",
"formula_anonymous": "AB",
"energy": -21.91534375,
"energy_per_atom": -5.4788359375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.90934375,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.021000Z",
"spacegroup": 194
},
{
"id": "mp-1110971",
"created_at": "2022-09-04T14:43:09.460031Z",
"structure_string": "Cs2 Li1 Sb1 F6\n1.0\n0.000000 4.504811 4.504811\n4.504811 0.000000 4.504811\n4.504811 4.504811 0.000000\nCs Li Sb F\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 Sb\n0.751709 0.248291 0.248291 F\n0.248291 0.248291 0.751709 F\n0.248291 0.751709 0.751709 F\n0.248291 0.751709 0.248291 F\n0.751709 0.248291 0.751709 F\n0.751709 0.751709 0.248291 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Li",
"Sb",
"F"
],
"chemical_system": "Cs-F-Li-Sb",
"density": 4.618301890867252,
"density_atomic": 0.05469407475762506,
"volume": 182.83516165717512,
"volume_molar": 11.010590793768635,
"formula_full": "Cs2 Li1 Sb1 F6",
"formula_reduced": "Cs2LiSbF6",
"formula_anonymous": "ABC2D6",
"energy": -48.09962711,
"energy_per_atom": -4.809962711,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.32762711,
"band_gap": 4.1258,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.5e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.453000Z",
"spacegroup": 225
},
{
"id": "mp-1193087",
"created_at": "2022-09-04T14:43:08.904881Z",
"structure_string": "Zr22 Os8\n1.0\n0.000000 6.765645 6.765645\n6.765645 0.000000 6.765645\n6.765645 6.765645 0.000000\nZr Os\n22 8\ndirect\n0.798817 0.798817 0.201183 Zr\n0.201183 0.798817 0.201183 Zr\n0.798817 0.201183 0.201183 Zr\n0.201183 0.201183 0.798817 Zr\n0.798817 0.201183 0.798817 Zr\n0.201183 0.798817 0.798817 Zr\n0.617015 0.617015 0.148954 Zr\n0.617015 0.148954 0.617015 Zr\n0.148954 0.617015 0.617015 Zr\n0.617015 0.617015 0.617015 Zr\n0.382985 0.382985 0.851046 Zr\n0.382985 0.851046 0.382985 Zr\n0.851046 0.382985 0.382985 Zr\n0.382985 0.382985 0.382985 Zr\n0.837413 0.837413 0.487760 Zr\n0.837413 0.487760 0.837413 Zr\n0.487760 0.837413 0.837413 Zr\n0.837413 0.837413 0.837413 Zr\n0.162587 0.162587 0.512240 Zr\n0.162587 0.512240 0.162587 Zr\n0.512240 0.162587 0.162587 Zr\n0.162587 0.162587 0.162587 Zr\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Zr",
"Os"
],
"chemical_system": "Os-Zr",
"density": 9.460510883873647,
"density_atomic": 0.04843548362251721,
"volume": 619.3806225577414,
"volume_molar": 12.433324310197166,
"formula_full": "Zr22 Os8",
"formula_reduced": "Zr11Os4",
"formula_anonymous": "A4B11",
"energy": -286.65447237,
"energy_per_atom": -9.555149079,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -286.65447237,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0085141,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.711000Z",
"spacegroup": 225
},
{
"id": "mp-22976",
"created_at": "2022-09-04T14:43:09.158103Z",
"structure_string": "Rb4 Nb6 Cl18\n1.0\n8.541196 5.349818 0.000000\n-8.541196 5.349818 0.000000\n0.000000 4.405673 8.900531\nRb Nb Cl\n4 6 18\ndirect\n0.052692 0.735172 0.820529 Rb\n0.264828 0.947308 0.179471 Rb\n0.947308 0.264828 0.179471 Rb\n0.735172 0.052692 0.820529 Rb\n0.608410 0.608410 0.631409 Nb\n0.391590 0.391590 0.368591 Nb\n0.453128 0.280570 0.637983 Nb\n0.719430 0.546872 0.362017 Nb\n0.546872 0.719430 0.362017 Nb\n0.280570 0.453128 0.637983 Nb\n0.744316 0.744316 0.792624 Cl\n0.255684 0.255684 0.207376 Cl\n0.815789 0.815789 0.175768 Cl\n0.184211 0.184211 0.824232 Cl\n0.113540 0.318694 0.508039 Cl\n0.681306 0.886460 0.491961 Cl\n0.886460 0.681306 0.491961 Cl\n0.318694 0.113540 0.508039 Cl\n0.296187 0.703813 0.500000 Cl\n0.703813 0.296187 0.500000 Cl\n0.427542 0.631356 0.185206 Cl\n0.368644 0.572458 0.814794 Cl\n0.572458 0.368644 0.814794 Cl\n0.631356 0.427542 0.185206 Cl\n0.392945 0.002904 0.815613 Cl\n0.997096 0.607055 0.184387 Cl\n0.607055 0.997096 0.184387 Cl\n0.002904 0.392945 0.815613 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"Cl"
],
"chemical_system": "Cl-Nb-Rb",
"density": 3.138703542828353,
"density_atomic": 0.03442345227412762,
"volume": 813.398951883875,
"volume_molar": 17.494296365289866,
"formula_full": "Rb4 Nb6 Cl18",
"formula_reduced": "Rb2(NbCl3)3",
"formula_anonymous": "A2B3C9",
"energy": -150.56762956999998,
"energy_per_atom": -5.377415341785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.51562957,
"band_gap": 1.0748999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.84e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.954000Z",
"spacegroup": 12
},
{
"id": "mp-695170",
"created_at": "2022-09-04T14:43:08.439671Z",
"structure_string": "Nd3 Al3 Si3 N2 O12\n1.0\n4.062076 6.875664 0.000000\n-4.062076 6.875664 0.000000\n0.000000 0.067884 4.922636\nNd Al Si N O\n3 3 3 2 12\ndirect\n0.583185 0.012655 0.005755 Nd\n0.987345 0.416815 0.994245 Nd\n0.416012 0.583988 0.000000 Nd\n0.237223 0.990037 0.520378 Al\n0.005642 0.994358 0.000000 Al\n0.009963 0.762777 0.479622 Al\n0.669783 0.666602 0.542043 Si\n0.333398 0.330217 0.457957 Si\n0.738190 0.261810 0.500000 Si\n0.699205 0.460582 0.684879 N\n0.539418 0.300795 0.315121 N\n0.212891 0.859410 0.248964 O\n0.473128 0.846055 0.677423 O\n0.872892 0.895182 0.198405 O\n0.659744 0.677298 0.209080 O\n0.844332 0.700425 0.666323 O\n0.140590 0.787109 0.751036 O\n0.153945 0.526872 0.322577 O\n0.908684 0.212668 0.265136 O\n0.104818 0.127108 0.801595 O\n0.322702 0.340256 0.790920 O\n0.299575 0.155668 0.333677 O\n0.787332 0.091316 0.734864 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Nd",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-Nd-O-Si",
"density": 4.939427170997082,
"density_atomic": 0.08364450720656524,
"volume": 274.9732261940415,
"volume_molar": 7.199684666834075,
"formula_full": "Nd3 Al3 Si3 N2 O12",
"formula_reduced": "Nd3Al3Si3(NO6)2",
"formula_anonymous": "A2B3C3D3E12",
"energy": -192.50704761,
"energy_per_atom": -8.369871635217391,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.54104761,
"band_gap": 3.8758,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.811000Z",
"spacegroup": 5
},
{
"id": "mp-1095960",
"created_at": "2022-09-04T14:43:09.128045Z",
"structure_string": "Mg1 Cu2 Pt1\n1.0\n-4.828672 5.737697 6.930330\n4.828672 -5.737697 6.930330\n4.828672 5.737697 -6.930330\nMg Cu Pt\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.252913 0.252913 Cu\n0.000000 0.747087 0.747087 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Pt"
],
"chemical_system": "Cu-Mg-Pt",
"density": 0.7491163908648225,
"density_atomic": 0.005208117447098275,
"volume": 768.0318350402442,
"volume_molar": 115.62989546933628,
"formula_full": "Mg1 Cu2 Pt1",
"formula_reduced": "MgCu2Pt",
"formula_anonymous": "ABC2",
"energy": -8.27632894,
"energy_per_atom": -2.069082235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.27632894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0103184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.045000Z",
"spacegroup": 71
},
{
"id": "mp-121",
"created_at": "2022-09-04T14:43:08.297363Z",
"structure_string": "Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.755694544915189,
"density_atomic": 0.035293108981259515,
"volume": 28.334143090964176,
"volume_molar": 17.063219800776775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27636913,
"energy_per_atom": -0.27636913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27636913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.748000Z",
"spacegroup": 166
},
{
"id": "mp-866026",
"created_at": "2022-09-04T14:43:09.145981Z",
"structure_string": "Er1 Nb1 Os2\n1.0\n0.000000 3.277227 3.277227\n3.277227 0.000000 3.277227\n3.277227 3.277227 0.000000\nEr Nb Os\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Nb",
"Os"
],
"chemical_system": "Er-Nb-Os",
"density": 15.11136409029636,
"density_atomic": 0.056821202843273334,
"volume": 70.39625702808458,
"volume_molar": 10.598404220006614,
"formula_full": "Er1 Nb1 Os2",
"formula_reduced": "ErNbOs2",
"formula_anonymous": "ABC2",
"energy": -37.93070167,
"energy_per_atom": -9.4826754175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.93070167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.593000Z",
"spacegroup": 225
},
{
"id": "mp-1029145",
"created_at": "2022-09-04T14:43:09.016179Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n1.701033 -2.946276 0.000000\n1.701033 2.946276 0.000000\n0.000000 0.000000 40.097652\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.000000 0.000000 0.327761 Te\n0.333333 0.666667 0.423903 Te\n0.333333 0.666667 0.517745 Te\n0.000000 0.000000 0.233883 Te\n0.000000 0.000000 0.093685 Mo\n0.000000 0.000000 0.470814 W\n0.333333 0.666667 0.280864 W\n0.333333 0.666667 0.657581 W\n0.333333 0.666667 0.052600 Se\n0.333333 0.666667 0.134698 Se\n0.000000 0.000000 0.695137 S\n0.000000 0.000000 0.620077 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.701180017758476,
"density_atomic": 0.029856998131970094,
"volume": 401.9158237864078,
"volume_molar": 20.169947204275868,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy": -85.43308146000001,
"energy_per_atom": -7.119423455000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.79508146,
"band_gap": 1.1908,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.604000Z",
"spacegroup": 156
},
{
"id": "mp-765970",
"created_at": "2022-09-04T14:43:08.918485Z",
"structure_string": "Ti3 Sn7 O20\n1.0\n3.375035 -3.377475 0.000000\n3.375035 3.377475 0.000000\n0.000000 0.000000 15.866413\nTi Sn O\n3 7 20\ndirect\n0.000000 0.000000 0.799928 Ti\n0.000000 0.000000 0.200072 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.400380 Sn\n0.000000 0.000000 0.599620 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.897696 Sn\n0.500000 0.500000 0.699886 Sn\n0.500000 0.500000 0.300114 Sn\n0.500000 0.500000 0.102304 Sn\n0.189822 0.810178 0.895374 O\n0.202953 0.797047 0.500000 O\n0.190008 0.809992 0.704003 O\n0.189822 0.810178 0.104626 O\n0.190008 0.809992 0.295997 O\n0.310039 0.310039 0.404221 O\n0.310039 0.310039 0.595779 O\n0.296875 0.296875 0.200695 O\n0.296875 0.296875 0.799305 O\n0.306137 0.306137 0.000000 O\n0.689961 0.689961 0.404221 O\n0.689961 0.689961 0.595779 O\n0.703125 0.703125 0.799305 O\n0.693863 0.693863 0.000000 O\n0.703125 0.703125 0.200695 O\n0.797047 0.202953 0.500000 O\n0.810178 0.189822 0.895374 O\n0.809992 0.190008 0.704003 O\n0.809992 0.190008 0.295997 O\n0.810178 0.189822 0.104626 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"O"
],
"chemical_system": "O-Sn-Ti",
"density": 5.942808986916471,
"density_atomic": 0.0829358080428278,
"volume": 361.72554060735854,
"volume_molar": 7.261207073415363,
"formula_full": "Ti3 Sn7 O20",
"formula_reduced": "Ti3Sn7O20",
"formula_anonymous": "A3B7C20",
"energy": -225.37284624,
"energy_per_atom": -7.512428208,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.63284624,
"band_gap": 1.7439,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0089574,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.866000Z",
"spacegroup": 65
},
{
"id": "mp-1023929",
"created_at": "2022-09-04T14:43:08.923500Z",
"structure_string": "W2 Se2 S2\n1.0\n1.627359 -2.818669 0.000000\n1.627359 2.818669 0.000000\n0.000000 0.000000 23.022902\nW Se S\n2 2 2\ndirect\n0.000000 0.000000 0.150434 W\n0.333333 0.666667 0.451445 W\n0.000000 0.000000 0.525583 Se\n0.000000 0.000000 0.377289 Se\n0.333333 0.666667 0.083135 S\n0.333333 0.666667 0.217718 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Se",
"S"
],
"chemical_system": "S-Se-W",
"density": 4.636441761431047,
"density_atomic": 0.02840754744292721,
"volume": 211.21147512133626,
"volume_molar": 21.199087221798752,
"formula_full": "W2 Se2 S2",
"formula_reduced": "WSeS",
"formula_anonymous": "ABC",
"energy": -47.171382730000005,
"energy_per_atom": -7.861897121666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.22138273,
"band_gap": 0.8086000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.221000Z",
"spacegroup": 156
},
{
"id": "mp-1028085",
"created_at": "2022-09-04T14:43:10.384910Z",
"structure_string": "Y1 Mg14 Zr1\n1.0\n6.535950 0.000000 -0.000000\n-3.267975 5.660298 0.000000\n0.000000 -0.000000 10.185515\nY Mg Zr\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.171688 0.835844 0.125000 Mg\n0.169356 0.834677 0.625000 Mg\n0.664156 0.328312 0.125000 Mg\n0.665323 0.330644 0.625000 Mg\n0.664156 0.835844 0.125000 Mg\n0.665323 0.834677 0.625000 Mg\n0.333556 0.166444 0.378994 Mg\n0.333556 0.166444 0.871006 Mg\n0.333556 0.667114 0.378994 Mg\n0.333556 0.667114 0.871006 Mg\n0.832886 0.166444 0.378994 Mg\n0.832886 0.166444 0.871006 Mg\n0.833333 0.666667 0.373839 Mg\n0.833333 0.666667 0.876161 Mg\n0.166667 0.333333 0.625000 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Zr"
],
"chemical_system": "Mg-Y-Zr",
"density": 2.293270318301355,
"density_atomic": 0.04246087822604359,
"volume": 376.8174533466508,
"volume_molar": 14.18279840548915,
"formula_full": "Y1 Mg14 Zr1",
"formula_reduced": "YMg14Zr",
"formula_anonymous": "ABC14",
"energy": -36.82314859,
"energy_per_atom": -2.301446786875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.82314859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7305886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.838000Z",
"spacegroup": 187
}
]
}