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_stable&page=12149",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12147",
"results": [
{
"id": "mp-29219",
"created_at": "2022-09-04T14:43:07.129461Z",
"structure_string": "Ba4 Ni18 B12\n1.0\n5.632175 -5.019847 0.000000\n5.632175 5.019847 0.000000\n1.158083 0.000000 7.455139\nBa Ni B\n4 18 12\ndirect\n0.622871 0.622871 0.622871 Ba\n0.877129 0.877129 0.877129 Ba\n0.377129 0.377129 0.377129 Ba\n0.122871 0.122871 0.122871 Ba\n0.423877 0.932690 0.391490 Ni\n0.076123 0.108510 0.567310 Ni\n0.932690 0.391490 0.423877 Ni\n0.567310 0.076123 0.108510 Ni\n0.608510 0.576123 0.067310 Ni\n0.576123 0.067310 0.608510 Ni\n0.067310 0.608510 0.576123 Ni\n0.923877 0.891490 0.432690 Ni\n0.891490 0.432690 0.923877 Ni\n0.432690 0.923877 0.891490 Ni\n0.750000 0.284501 0.215499 Ni\n0.215499 0.750000 0.284501 Ni\n0.284501 0.215499 0.750000 Ni\n0.250000 0.715499 0.784501 Ni\n0.784501 0.250000 0.715499 Ni\n0.715499 0.784501 0.250000 Ni\n0.108510 0.567310 0.076123 Ni\n0.391490 0.423877 0.932690 Ni\n0.534513 0.187771 0.847466 B\n0.847466 0.534513 0.187771 B\n0.187771 0.847466 0.534513 B\n0.965487 0.652534 0.312229 B\n0.465487 0.812229 0.152534 B\n0.152534 0.465487 0.812229 B\n0.812229 0.152534 0.465487 B\n0.034513 0.347466 0.687771 B\n0.687771 0.034513 0.347466 B\n0.347466 0.687771 0.034513 B\n0.312229 0.965487 0.652534 B\n0.652534 0.312229 0.965487 B\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"B"
],
"chemical_system": "B-Ba-Ni",
"density": 6.836387299536734,
"density_atomic": 0.08065411964688599,
"volume": 421.55317234700885,
"volume_molar": 7.466625122641844,
"formula_full": "Ba4 Ni18 B12",
"formula_reduced": "Ba2(Ni3B2)3",
"formula_anonymous": "A2B6C9",
"energy": -201.79211183,
"energy_per_atom": -5.935062112647059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.79211183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0026804,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.088000Z",
"spacegroup": 167
},
{
"id": "mp-19414",
"created_at": "2022-09-04T14:43:07.129911Z",
"structure_string": "K6 Cr2 O8\n1.0\n5.294295 0.000000 3.118032\n-3.489626 5.011102 5.925250\n-1.836339 -4.965624 3.118032\nK Cr O\n6 2 8\ndirect\n0.000000 0.250026 0.500000 K\n0.500000 0.749974 0.000000 K\n0.500000 0.250026 0.000000 K\n0.000000 0.749974 0.500000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.331114 0.608446 0.668886 O\n0.831127 0.108450 0.168873 O\n0.831127 0.891550 0.831127 O\n0.331114 0.391554 0.331114 O\n0.668886 0.391554 0.668886 O\n0.168873 0.891550 0.168873 O\n0.168873 0.108450 0.831127 O\n0.668886 0.608446 0.331114 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Cr",
"O"
],
"chemical_system": "Cr-K-O",
"density": 2.4119890242878954,
"density_atomic": 0.04981070629548606,
"volume": 321.21608364846554,
"volume_molar": 12.09005293816871,
"formula_full": "K6 Cr2 O8",
"formula_reduced": "K3CrO4",
"formula_anonymous": "AB3C4",
"energy": -96.52294947,
"energy_per_atom": -6.032684341875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.02894947,
"band_gap": 1.2424,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0070662,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.194000Z",
"spacegroup": 121
},
{
"id": "mp-1027858",
"created_at": "2022-09-04T14:43:07.166723Z",
"structure_string": "Mg14 Zr1 Si1\n1.0\n6.289979 -0.000000 -0.000000\n-3.144989 5.447281 -0.000000\n0.000000 0.000000 10.259542\nMg Zr Si\n14 1 1\ndirect\n0.173749 0.836874 0.125000 Mg\n0.163876 0.831937 0.625000 Mg\n0.663126 0.326251 0.125000 Mg\n0.668063 0.336124 0.625000 Mg\n0.663126 0.836874 0.125000 Mg\n0.668063 0.831937 0.625000 Mg\n0.326782 0.173218 0.377859 Mg\n0.326782 0.173218 0.872141 Mg\n0.326782 0.653566 0.377859 Mg\n0.326782 0.653566 0.872141 Mg\n0.846434 0.173218 0.377859 Mg\n0.846434 0.173218 0.872141 Mg\n0.833333 0.666667 0.366568 Mg\n0.833333 0.666667 0.883432 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Si"
],
"chemical_system": "Mg-Si-Zr",
"density": 2.170964878069558,
"density_atomic": 0.04551588949557293,
"volume": 351.52559199257723,
"volume_molar": 13.230853723260182,
"formula_full": "Mg14 Zr1 Si1",
"formula_reduced": "Mg14ZrSi",
"formula_anonymous": "ABC14",
"energy": -35.8089991,
"energy_per_atom": -2.23806244375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.8799991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.055000Z",
"spacegroup": 187
},
{
"id": "mp-763992",
"created_at": "2022-09-04T14:43:07.175931Z",
"structure_string": "V6 O11 F1\n1.0\n3.211389 -3.322065 0.000000\n3.211389 3.322065 0.000000\n0.000000 0.000000 8.977687\nV O F\n6 11 1\ndirect\n0.983252 0.016748 0.819146 V\n0.008527 0.991473 0.500000 V\n0.983252 0.016748 0.180854 V\n0.479096 0.520904 0.668081 V\n0.533769 0.466231 0.000000 V\n0.479096 0.520904 0.331919 V\n0.801031 0.198969 0.676041 O\n0.801031 0.198969 0.323959 O\n0.806503 0.193497 0.000000 O\n0.307549 0.299482 0.835572 O\n0.310434 0.302986 0.500000 O\n0.307549 0.299482 0.164428 O\n0.700518 0.692451 0.835572 O\n0.697014 0.689566 0.500000 O\n0.700518 0.692451 0.164428 O\n0.202510 0.797490 0.673138 O\n0.202510 0.797490 0.326862 O\n0.195839 0.804161 0.000000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.3399012055887,
"density_atomic": 0.09396735626770682,
"volume": 191.55588403188852,
"volume_molar": 6.408758316923717,
"formula_full": "V6 O11 F1",
"formula_reduced": "V6O11F",
"formula_anonymous": "AB6C11",
"energy": -156.22142094,
"energy_per_atom": -8.67896783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.00242094,
"band_gap": 0.4326000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0004056,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.667000Z",
"spacegroup": 38
},
{
"id": "mp-27502",
"created_at": "2022-09-04T14:43:07.187401Z",
"structure_string": "C2 N2 Cl2\n1.0\n4.238710 0.000000 0.000000\n0.000000 5.727556 0.000000\n0.000000 0.000000 5.959160\nC N Cl\n2 2 2\ndirect\n0.000000 0.426972 0.000000 C\n0.500000 0.573028 0.500000 C\n0.500000 0.368600 0.500000 N\n0.000000 0.631400 0.000000 N\n0.000000 0.144844 0.000000 Cl\n0.500000 0.855156 0.500000 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"C",
"N",
"Cl"
],
"chemical_system": "C-Cl-N",
"density": 1.4110975493163593,
"density_atomic": 0.04147278074167807,
"volume": 144.67320234377968,
"volume_molar": 14.520706478570053,
"formula_full": "C2 N2 Cl2",
"formula_reduced": "CNCl",
"formula_anonymous": "ABC",
"energy": -38.63643316,
"energy_per_atom": -6.439405526666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.68643316,
"band_gap": 5.8354,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015667,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.764000Z",
"spacegroup": 59
},
{
"id": "mp-775133",
"created_at": "2022-09-04T14:43:07.193945Z",
"structure_string": "Li4 Ti3 Fe3 W2 O16\n1.0\n6.058077 0.057506 -0.087090\n-2.979041 5.185709 -0.000068\n-0.142743 -0.080960 9.832947\nLi Ti Fe W O\n4 3 3 2 16\ndirect\n0.319326 0.663083 0.901956 Li\n0.996441 0.996527 0.983854 Li\n0.012039 0.008408 0.493926 Li\n0.660572 0.327448 0.409587 Li\n0.177590 0.840693 0.213117 Ti\n0.188151 0.344606 0.217505 Ti\n0.344177 0.169461 0.721428 Ti\n0.659773 0.825286 0.209808 Fe\n0.840293 0.658940 0.708800 Fe\n0.835928 0.177070 0.709963 Fe\n0.342788 0.672438 0.490277 W\n0.679601 0.337609 0.983559 W\n0.183589 0.842241 0.592002 O\n0.047397 0.523589 0.340532 O\n0.297925 0.649157 0.107999 O\n0.019576 0.013003 0.304293 O\n0.021479 0.008293 0.799685 O\n0.185778 0.346836 0.595162 O\n0.462388 0.959446 0.338325 O\n0.462169 0.497548 0.341693 O\n0.329998 0.167156 0.105784 O\n0.662579 0.829624 0.572694 O\n0.498853 0.461218 0.860218 O\n0.498332 0.032110 0.850222 O\n0.631098 0.318247 0.607698 O\n0.849059 0.674428 0.096912 O\n0.958041 0.477024 0.856740 O\n0.835060 0.178815 0.094100 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-O-Ti-W",
"density": 5.147693849112025,
"density_atomic": 0.0901756209067566,
"volume": 310.505208818607,
"volume_molar": 6.678235979353016,
"formula_full": "Li4 Ti3 Fe3 W2 O16",
"formula_reduced": "Li4Ti3Fe3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -231.57634583,
"energy_per_atom": -8.270583779642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -204.94034583,
"band_gap": 0.9939,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.995000Z",
"spacegroup": 1
},
{
"id": "mp-1182554",
"created_at": "2022-09-04T14:43:07.238804Z",
"structure_string": "Fe8 P4 H8 C4 O28\n1.0\n5.757509 0.000000 0.000000\n0.000000 7.812177 0.000000\n0.000000 7.735536 15.359511\nFe P H C O\n8 4 8 4 28\ndirect\n0.960666 0.785252 0.339514 Fe\n0.460666 0.214748 0.160486 Fe\n0.039334 0.214748 0.660486 Fe\n0.539334 0.785252 0.839514 Fe\n0.484664 0.361994 0.322213 Fe\n0.984664 0.638006 0.177787 Fe\n0.515336 0.638006 0.677787 Fe\n0.015336 0.361994 0.822213 Fe\n0.501590 0.782079 0.144643 P\n0.001590 0.217921 0.355357 P\n0.498410 0.217921 0.855357 P\n0.998410 0.782079 0.644643 P\n0.341578 0.910870 0.695581 H\n0.841578 0.089130 0.804419 H\n0.658422 0.089130 0.304419 H\n0.158422 0.910870 0.195581 H\n0.742585 0.968669 0.546309 H\n0.242585 0.031331 0.953691 H\n0.257415 0.031331 0.453691 H\n0.757415 0.968669 0.046309 H\n0.872450 0.520369 0.509522 C\n0.372450 0.479631 0.990478 C\n0.127550 0.479631 0.490478 C\n0.627550 0.520369 0.009522 C\n0.274484 0.168965 0.921882 O\n0.774484 0.831035 0.578118 O\n0.725516 0.831035 0.078118 O\n0.225516 0.168965 0.421882 O\n0.988829 0.157024 0.781410 O\n0.488829 0.842976 0.718590 O\n0.011171 0.842976 0.218590 O\n0.511171 0.157024 0.281410 O\n0.701777 0.278395 0.894218 O\n0.201777 0.721605 0.605782 O\n0.298223 0.721605 0.105782 O\n0.798223 0.278395 0.394218 O\n0.891824 0.613173 0.726229 O\n0.391824 0.386827 0.773771 O\n0.108176 0.386827 0.273771 O\n0.608176 0.613173 0.226229 O\n0.297825 0.575523 0.913270 O\n0.797825 0.424477 0.586730 O\n0.702175 0.424477 0.086730 O\n0.202175 0.575523 0.413270 O\n0.046541 0.959537 0.657092 O\n0.546541 0.040463 0.842908 O\n0.953459 0.040463 0.342908 O\n0.453459 0.959537 0.157092 O\n0.740940 0.646222 0.947004 O\n0.240940 0.353778 0.552996 O\n0.259060 0.353778 0.052996 O\n0.759060 0.646222 0.447004 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Fe",
"P",
"H",
"C",
"O"
],
"chemical_system": "C-Fe-H-O-P",
"density": 2.583272774671635,
"density_atomic": 0.07526953868242968,
"volume": 690.8505208115281,
"volume_molar": 8.00076746239679,
"formula_full": "Fe8 P4 H8 C4 O28",
"formula_reduced": "Fe2PH2CO7",
"formula_anonymous": "ABC2D2E7",
"energy": -383.50429614,
"energy_per_atom": -7.375082618076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.22029614,
"band_gap": 3.1702,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.9999507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.888000Z",
"spacegroup": 14
},
{
"id": "mp-867782",
"created_at": "2022-09-04T14:43:07.241702Z",
"structure_string": "Mn2 O2 F2\n1.0\n3.791689 0.000000 0.000000\n-0.070150 4.350829 0.000000\n-1.833808 -2.011401 4.813580\nMn O F\n2 2 2\ndirect\n0.863168 0.617092 0.231434 Mn\n0.136832 0.382908 0.768566 Mn\n0.331839 0.630295 0.164137 O\n0.668161 0.369705 0.835863 O\n0.944079 0.186742 0.358311 F\n0.055921 0.813258 0.641689 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.761308979188752,
"density_atomic": 0.07555763105268959,
"volume": 79.40958333931806,
"volume_molar": 7.970261476038737,
"formula_full": "Mn2 O2 F2",
"formula_reduced": "MnOF",
"formula_anonymous": "ABC",
"energy": -46.07744779,
"energy_per_atom": -7.679574631666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.44344779,
"band_gap": 2.4262,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.906000Z",
"spacegroup": 2
},
{
"id": "mp-1003312",
"created_at": "2022-09-04T14:43:07.134469Z",
"structure_string": "K1 Mn4 O8\n1.0\n2.916123 5.181394 0.000000\n-2.916123 5.181394 0.000000\n0.000000 3.354864 6.584813\nK Mn O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.213586 0.213586 0.349898 O\n0.734636 0.734636 0.342224 O\n0.714743 0.208710 0.354183 O\n0.208710 0.714743 0.354183 O\n0.285257 0.791290 0.645817 O\n0.791290 0.285257 0.645817 O\n0.786414 0.786414 0.650102 O\n0.265364 0.265364 0.657776 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"K",
"Mn",
"O"
],
"chemical_system": "K-Mn-O",
"density": 3.228203848609785,
"density_atomic": 0.06533072149216242,
"volume": 198.98754679388594,
"volume_molar": 9.217930894460522,
"formula_full": "K1 Mn4 O8",
"formula_reduced": "KMn4O8",
"formula_anonymous": "AB4C8",
"energy": -102.53986317,
"energy_per_atom": -7.887681782307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.37186317,
"band_gap": 0.1931,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.000806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.959000Z",
"spacegroup": 12
},
{
"id": "mp-1233624",
"created_at": "2022-09-04T14:43:07.140603Z",
"structure_string": "Mg1 Ti3 V5 O16\n1.0\n5.844161 -0.090448 0.427126\n-2.997741 5.216987 0.006781\n0.711031 0.319041 9.752584\nMg Ti V O\n1 3 5 16\ndirect\n0.187333 0.093781 0.948994 Mg\n0.229785 0.842717 0.221807 Ti\n0.296793 0.388555 0.220786 Ti\n0.268842 0.131745 0.655272 Ti\n0.336919 0.665458 0.491212 V\n0.752232 0.907856 0.220326 V\n0.836375 0.415736 0.011401 V\n0.738963 0.116761 0.712099 V\n0.736443 0.618497 0.713322 V\n0.119553 0.807030 0.587145 O\n0.093207 0.541764 0.328055 O\n0.458715 0.735402 0.109307 O\n0.074588 0.040479 0.308574 O\n0.921610 0.960042 0.801207 O\n0.119401 0.306468 0.587770 O\n0.542894 0.992090 0.330884 O\n0.551498 0.561749 0.330724 O\n0.456880 0.230979 0.094922 O\n0.625419 0.809944 0.601124 O\n0.414069 0.423578 0.811401 O\n0.415194 0.991357 0.810482 O\n0.641474 0.318614 0.593739 O\n0.973096 0.756640 0.092812 O\n0.882642 0.440774 0.819496 O\n0.982328 0.225097 0.091432 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Mg",
"Ti",
"V",
"O"
],
"chemical_system": "Mg-O-Ti-V",
"density": 3.849901163234291,
"density_atomic": 0.08541303227514886,
"volume": 292.69538071737344,
"volume_molar": 7.05061112992725,
"formula_full": "Mg1 Ti3 V5 O16",
"formula_reduced": "MgTi3V5O16",
"formula_anonymous": "AB3C5D16",
"energy": -219.96987308,
"energy_per_atom": -8.798794923200001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.47787308,
"band_gap": 0.8090999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.863000Z",
"spacegroup": 1
},
{
"id": "mp-1065190",
"created_at": "2022-09-04T14:43:07.147367Z",
"structure_string": "Ag2 O2\n1.0\n2.247366 2.408142 0.000000\n-2.247366 2.408142 0.000000\n0.000000 0.464774 5.575971\nAg O\n2 2\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.022648 0.977352 0.750000 O\n0.977352 0.022648 0.250000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ag",
"O"
],
"chemical_system": "Ag-O",
"density": 6.8160130873612985,
"density_atomic": 0.06627558820591806,
"volume": 60.35404752006141,
"volume_molar": 9.086514240038468,
"formula_full": "Ag2 O2",
"formula_reduced": "AgO",
"formula_anonymous": "AB",
"energy": -17.33003766,
"energy_per_atom": -4.332509415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.95603766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001191,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.061000Z",
"spacegroup": 15
},
{
"id": "mp-1028359",
"created_at": "2022-09-04T14:43:07.151015Z",
"structure_string": "La1 Mg14 Ni1\n1.0\n6.472543 -0.000000 -0.000000\n-3.236272 5.605386 0.000000\n-0.000000 0.000000 10.233281\nLa Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 La\n0.157510 0.828754 0.125000 Mg\n0.183609 0.841804 0.625000 Mg\n0.671246 0.342490 0.125000 Mg\n0.658196 0.316391 0.625000 Mg\n0.671246 0.828754 0.125000 Mg\n0.658196 0.841804 0.625000 Mg\n0.327937 0.172063 0.351707 Mg\n0.327937 0.172063 0.898293 Mg\n0.327937 0.655875 0.351707 Mg\n0.327937 0.655875 0.898293 Mg\n0.844125 0.172063 0.351707 Mg\n0.844125 0.172063 0.898293 Mg\n0.833333 0.666667 0.387655 Mg\n0.833333 0.666667 0.862345 Mg\n0.166667 0.333333 0.125000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"Ni"
],
"chemical_system": "La-Mg-Ni",
"density": 2.4056372414179914,
"density_atomic": 0.04309477465114848,
"volume": 371.2747109021859,
"volume_molar": 13.974178560507939,
"formula_full": "La1 Mg14 Ni1",
"formula_reduced": "LaMg14Ni",
"formula_anonymous": "ABC14",
"energy": -32.18455715,
"energy_per_atom": -2.011534821875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.18455715,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0538766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.829000Z",
"spacegroup": 187
}
]
}