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=updated_at&page=12089",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=updated_at&page=12087",
"results": [
{
"id": "mp-1233133",
"created_at": "2022-09-04T14:48:29.501679Z",
"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.807058 -0.084763 -0.034437\n2.979786 -5.061970 -0.032668\n2.963482 1.608224 -10.494486\nCa Hf N O\n1 8 8 4\ndirect\n0.567990 0.337188 0.333630 Ca\n0.899680 0.664880 0.311627 Hf\n0.264372 0.780665 0.726750 Hf\n0.425647 0.260751 0.024792 Hf\n0.603338 0.158987 0.741160 Hf\n0.150009 0.049325 0.448752 Hf\n0.074633 0.900983 0.009421 Hf\n0.747567 0.580094 0.016043 Hf\n0.928924 0.484428 0.740877 Hf\n0.183003 0.324152 0.349924 N\n0.705405 0.272844 0.101734 N\n0.323007 0.437655 0.651856 N\n0.525925 0.718134 0.402104 N\n0.493439 0.509703 0.877525 N\n0.013519 0.618775 0.110236 N\n0.993144 0.124573 0.650365 N\n0.853402 0.880203 0.876141 N\n0.367899 0.939857 0.073695 O\n0.913337 0.965632 0.382015 O\n0.155955 0.241934 0.883605 O\n0.628808 0.803906 0.681769 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Hf",
"N",
"O"
],
"chemical_system": "Ca-Hf-N-O",
"density": 8.937130833942808,
"density_atomic": 0.06874696071832401,
"volume": 305.4680495046612,
"volume_molar": 8.7598647228558,
"formula_full": "Ca1 Hf8 N8 O4",
"formula_reduced": "CaHf8(N2O)4",
"formula_anonymous": "AB4C8D8",
"energy": -214.72391334,
"energy_per_atom": -10.224948254285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -209.08791334,
"band_gap": 0.0319000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.032000Z",
"spacegroup": 1
},
{
"id": "mp-1196792",
"created_at": "2022-09-04T14:48:29.044270Z",
"structure_string": "Fe4 P4 O24\n1.0\n9.599622 0.000000 0.000000\n0.000000 5.463132 0.000000\n0.000000 5.139954 9.544690\nFe P O\n4 4 24\ndirect\n0.194191 0.195955 0.841244 Fe\n0.305809 0.195955 0.341244 Fe\n0.805809 0.804045 0.158756 Fe\n0.694191 0.804045 0.658756 Fe\n0.843076 0.154622 0.809047 P\n0.656924 0.154622 0.309047 P\n0.156924 0.845378 0.190953 P\n0.343076 0.845378 0.690953 P\n0.018501 0.782586 0.625545 O\n0.481499 0.782586 0.125545 O\n0.981499 0.217414 0.374455 O\n0.518501 0.217414 0.874455 O\n0.044654 0.669202 0.553207 O\n0.455346 0.669202 0.053207 O\n0.955346 0.330798 0.446793 O\n0.544654 0.330798 0.946793 O\n0.276997 0.553885 0.747400 O\n0.223003 0.553885 0.247400 O\n0.723003 0.446115 0.252600 O\n0.776997 0.446115 0.752600 O\n0.003493 0.179090 0.803274 O\n0.496507 0.179090 0.303274 O\n0.996507 0.820910 0.196726 O\n0.503493 0.820910 0.696726 O\n0.294634 0.972727 0.783775 O\n0.205366 0.972727 0.283775 O\n0.705366 0.027273 0.216225 O\n0.794634 0.027273 0.716225 O\n0.203722 0.038499 0.038350 O\n0.296278 0.038499 0.538350 O\n0.796278 0.961501 0.961650 O\n0.703722 0.961501 0.461650 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.425848342312193,
"density_atomic": 0.06392817761960108,
"volume": 500.5617427484504,
"volume_molar": 9.420166480943992,
"formula_full": "Fe4 P4 O24",
"formula_reduced": "FePO6",
"formula_anonymous": "ABC6",
"energy": -221.26289854,
"energy_per_atom": -6.914465579375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -208.37489854,
"band_gap": 0.3412999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:43.049000Z",
"spacegroup": 14
},
{
"id": "mp-1024052",
"created_at": "2022-09-04T14:48:27.286618Z",
"structure_string": "Na8 Zn4 Se8\n1.0\n7.425404 0.000000 0.000000\n0.000000 7.204900 0.000000\n0.000000 0.466903 9.366299\nNa Zn Se\n8 4 8\ndirect\n0.172414 0.948951 0.677978 Na\n0.672414 0.551049 0.322022 Na\n0.827586 0.051049 0.322022 Na\n0.327586 0.448951 0.677978 Na\n0.263837 0.988990 0.050398 Na\n0.763837 0.511010 0.949602 Na\n0.736163 0.011010 0.949602 Na\n0.236163 0.488990 0.050398 Na\n0.090815 0.652836 0.373066 Zn\n0.590815 0.847164 0.626934 Zn\n0.909185 0.347164 0.626934 Zn\n0.409185 0.152836 0.373066 Zn\n0.611611 0.195834 0.590088 Se\n0.111611 0.304166 0.409912 Se\n0.388389 0.804166 0.409912 Se\n0.888389 0.695834 0.590088 Se\n0.541671 0.253428 0.144968 Se\n0.041671 0.246572 0.855032 Se\n0.458329 0.746572 0.855032 Se\n0.958329 0.753428 0.144968 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 3.5697939505076453,
"density_atomic": 0.03991295964200025,
"volume": 501.0903771454242,
"volume_molar": 15.08818392325616,
"formula_full": "Na8 Zn4 Se8",
"formula_reduced": "Na2ZnSe2",
"formula_anonymous": "AB2C2",
"energy": -66.07510706,
"energy_per_atom": -3.3037553529999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.29910706,
"band_gap": 1.5452,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0015523,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.058000Z",
"spacegroup": 14
},
{
"id": "mp-1039919",
"created_at": "2022-09-04T14:48:25.124920Z",
"structure_string": "La1 Hf1 Mg30 O32\n1.0\n8.726552 0.000000 0.000000\n0.000000 8.726552 0.000000\n0.000000 0.000000 8.682944\nLa Hf Mg O\n1 1 30 32\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.255954 0.255954 0.000000 Mg\n0.744046 0.255954 0.000000 Mg\n0.255954 0.744046 0.000000 Mg\n0.744046 0.744046 0.000000 Mg\n0.250401 0.250401 0.500000 Mg\n0.749599 0.250401 0.500000 Mg\n0.250401 0.749599 0.500000 Mg\n0.749599 0.749599 0.500000 Mg\n0.257803 0.000000 0.258793 Mg\n0.742197 0.000000 0.258793 Mg\n0.245305 0.500000 0.254855 Mg\n0.754695 0.500000 0.254855 Mg\n0.257803 0.000000 0.741207 Mg\n0.742197 0.000000 0.741207 Mg\n0.245305 0.500000 0.745145 Mg\n0.754695 0.500000 0.745145 Mg\n0.000000 0.257803 0.258793 Mg\n0.500000 0.245305 0.254855 Mg\n0.000000 0.742197 0.258793 Mg\n0.500000 0.754695 0.254855 Mg\n0.000000 0.257803 0.741207 Mg\n0.500000 0.245305 0.745145 Mg\n0.000000 0.742197 0.741207 Mg\n0.500000 0.754695 0.745145 Mg\n0.000000 0.000000 0.267860 O\n0.500000 0.000000 0.254436 O\n0.000000 0.500000 0.254436 O\n0.500000 0.500000 0.248199 O\n0.000000 0.000000 0.732140 O\n0.500000 0.000000 0.745564 O\n0.000000 0.500000 0.745564 O\n0.500000 0.500000 0.751801 O\n0.249471 0.249471 0.249863 O\n0.750529 0.249471 0.249863 O\n0.249471 0.750529 0.249863 O\n0.750529 0.750529 0.249863 O\n0.249471 0.249471 0.750137 O\n0.750529 0.249471 0.750137 O\n0.249471 0.750529 0.750137 O\n0.750529 0.750529 0.750137 O\n0.267051 0.000000 0.000000 O\n0.732949 0.000000 0.000000 O\n0.243502 0.500000 0.000000 O\n0.756498 0.500000 0.000000 O\n0.253390 0.000000 0.500000 O\n0.746610 0.000000 0.500000 O\n0.251602 0.500000 0.500000 O\n0.748398 0.500000 0.500000 O\n0.000000 0.267051 0.000000 O\n0.500000 0.243502 0.000000 O\n0.000000 0.732949 0.000000 O\n0.500000 0.756498 0.000000 O\n0.000000 0.253390 0.500000 O\n0.500000 0.251602 0.500000 O\n0.000000 0.746610 0.500000 O\n0.500000 0.748398 0.500000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"La",
"Hf",
"Mg",
"O"
],
"chemical_system": "Hf-La-Mg-O",
"density": 3.913910249426895,
"density_atomic": 0.09678935863819936,
"volume": 661.2297147172277,
"volume_molar": 6.221903776127796,
"formula_full": "La1 Hf1 Mg30 O32",
"formula_reduced": "LaHfMg30O32",
"formula_anonymous": "ABC30D32",
"energy": -408.67112052,
"energy_per_atom": -6.385486258125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -386.68712052,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0659049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.067000Z",
"spacegroup": 123
},
{
"id": "mp-1032864",
"created_at": "2022-09-04T14:48:27.745808Z",
"structure_string": "Mg6 Mn1 Co1 O8\n1.0\n8.658758 0.000000 0.000000\n0.000000 4.284177 0.000000\n0.000000 0.000000 4.284177\nMg Mn Co O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252777 0.000000 0.500000 Mg\n0.747223 0.000000 0.500000 Mg\n0.252777 0.500000 0.000000 Mg\n0.747223 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Co\n0.253223 0.000000 0.000000 O\n0.746777 0.000000 0.000000 O\n0.251417 0.500000 0.500000 O\n0.748583 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mg-Mn-O",
"density": 4.050890445557516,
"density_atomic": 0.1006768387139872,
"volume": 158.92433855074052,
"volume_molar": 5.981654605890336,
"formula_full": "Mg6 Mn1 Co1 O8",
"formula_reduced": "Mg6MnCoO8",
"formula_anonymous": "ABC6D8",
"energy": -107.9753703,
"energy_per_atom": -6.74846064375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.1733703,
"band_gap": 1.4144000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9530598,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.099000Z",
"spacegroup": 123
},
{
"id": "mp-2347",
"created_at": "2022-09-04T14:48:29.661659Z",
"structure_string": "Ni2 As2\n1.0\n1.759517 -3.047573 0.000000\n1.759517 3.047573 0.000000\n0.000000 0.000000 5.684002\nNi As\n2 2\ndirect\n0.666667 0.333333 0.750000 Ni\n0.333333 0.666667 0.250000 Ni\n0.000000 0.000000 0.500000 As\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ni",
"As"
],
"chemical_system": "As-Ni",
"density": 7.2795160329015065,
"density_atomic": 0.06561878566023159,
"volume": 60.9581533665017,
"volume_molar": 9.177464501068528,
"formula_full": "Ni2 As2",
"formula_reduced": "NiAs",
"formula_anonymous": "AB",
"energy": -20.66946509,
"energy_per_atom": -5.1673662725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.66946509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0315251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.143000Z",
"spacegroup": 194
},
{
"id": "mp-1359496",
"created_at": "2022-09-04T14:48:26.471554Z",
"structure_string": "Mg4 Mo4 As4 O20\n1.0\n6.625833 0.000000 0.000000\n0.000000 8.133375 0.000000\n0.000000 0.000000 8.656737\nMg Mo As O\n4 4 4 20\ndirect\n0.128957 0.837414 0.676839 Mg\n0.371043 0.162586 0.176839 Mg\n0.871043 0.337414 0.823161 Mg\n0.628957 0.662586 0.323161 Mg\n0.265345 0.752274 0.004501 Mo\n0.234655 0.247726 0.504501 Mo\n0.734655 0.252274 0.495499 Mo\n0.765345 0.747726 0.995499 Mo\n0.473565 0.092033 0.823950 As\n0.026435 0.907967 0.323950 As\n0.526435 0.592033 0.676050 As\n0.973565 0.407967 0.176050 As\n0.513872 0.907009 0.921532 O\n0.986128 0.092991 0.421532 O\n0.486128 0.407009 0.578468 O\n0.013872 0.592991 0.078468 O\n0.406704 0.228830 0.961628 O\n0.093296 0.771170 0.461628 O\n0.593296 0.728830 0.538372 O\n0.906704 0.271170 0.038372 O\n0.693861 0.149747 0.733896 O\n0.806139 0.850253 0.233896 O\n0.306139 0.649747 0.766104 O\n0.193861 0.350253 0.266104 O\n0.288434 0.059573 0.686203 O\n0.211566 0.940427 0.186203 O\n0.711566 0.559573 0.813797 O\n0.788434 0.440427 0.313797 O\n0.013319 0.846592 0.881017 O\n0.486681 0.153408 0.381017 O\n0.986681 0.346592 0.618983 O\n0.513319 0.653408 0.118983 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Mo",
"As",
"O"
],
"chemical_system": "As-Mg-Mo-O",
"density": 3.9177305759098227,
"density_atomic": 0.06859373840446364,
"volume": 466.514885240861,
"volume_molar": 8.779432204861598,
"formula_full": "Mg4 Mo4 As4 O20",
"formula_reduced": "MgMoAsO5",
"formula_anonymous": "ABCD5",
"energy": -233.00798172,
"energy_per_atom": -7.28149942875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -206.45998172,
"band_gap": 1.3078000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0003297,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.148000Z",
"spacegroup": 19
},
{
"id": "mp-1521987",
"created_at": "2022-09-04T14:48:22.330409Z",
"structure_string": "Nd1 Sm1 Ni4 O12\n1.0\n5.328558 0.000000 0.000000\n0.000000 5.328558 0.000000\n0.000000 -0.000000 7.554048\nNd Sm Ni O\n1 1 4 12\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 -0.000000 Sm\n0.000000 0.500000 0.750088 Ni\n0.000000 0.500000 0.249912 Ni\n0.500000 0.000000 0.750088 Ni\n0.500000 0.000000 0.249912 Ni\n0.249492 0.249492 0.750445 O\n0.249492 0.249492 0.249555 O\n0.750508 0.750508 0.249555 O\n0.750508 0.750508 0.750445 O\n0.750508 0.249492 0.249555 O\n0.750508 0.249492 0.750445 O\n0.249492 0.750508 0.249555 O\n0.249492 0.750508 0.750445 O\n0.000000 0.500000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Nd",
"Sm",
"Ni",
"O"
],
"chemical_system": "Nd-Ni-O-Sm",
"density": 5.584792947526015,
"density_atomic": 0.08392152562094939,
"volume": 214.4860912240929,
"volume_molar": 7.175919068964933,
"formula_full": "Nd1 Sm1 Ni4 O12",
"formula_reduced": "NdSm(NiO3)4",
"formula_anonymous": "ABC4D12",
"energy": -114.21625871,
"energy_per_atom": -6.345347706111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.80825871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.6425089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.167000Z",
"spacegroup": 123
},
{
"id": "mp-1235976",
"created_at": "2022-09-04T14:48:29.249418Z",
"structure_string": "Li1 Ho2 O3\n1.0\n3.345793 0.000000 0.000000\n-1.672897 2.897542 0.000000\n0.000000 0.000000 7.868941\nLi Ho O\n1 2 3\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.819815 Ho\n0.333333 0.666667 0.180185 Ho\n0.666667 0.333333 0.332919 O\n0.333333 0.666667 0.667081 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Ho",
"O"
],
"chemical_system": "Ho-Li-O",
"density": 8.37604271036456,
"density_atomic": 0.0786513449137903,
"volume": 76.2860445244337,
"volume_molar": 7.656754969162783,
"formula_full": "Li1 Ho2 O3",
"formula_reduced": "LiHo2O3",
"formula_anonymous": "AB2C3",
"energy": -44.86135425,
"energy_per_atom": -7.476892374999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.80035425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.171000Z",
"spacegroup": 164
},
{
"id": "mp-1026470",
"created_at": "2022-09-04T14:48:25.946981Z",
"structure_string": "Hf1 Mg14 Cr1\n1.0\n6.346770 -0.000000 -0.000000\n-3.173385 5.496463 -0.000000\n0.000000 0.000000 10.150449\nHf Mg Cr\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Hf\n0.166678 0.833339 0.125000 Mg\n0.172094 0.836047 0.625000 Mg\n0.666661 0.333322 0.125000 Mg\n0.663953 0.327906 0.625000 Mg\n0.666661 0.833339 0.125000 Mg\n0.663953 0.836047 0.625000 Mg\n0.329462 0.170538 0.373611 Mg\n0.329462 0.170538 0.876389 Mg\n0.329462 0.658925 0.373611 Mg\n0.329462 0.658925 0.876389 Mg\n0.841075 0.170538 0.373611 Mg\n0.841075 0.170538 0.876389 Mg\n0.833333 0.666667 0.377412 Mg\n0.833333 0.666667 0.872588 Mg\n0.166667 0.333333 0.125000 Cr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Cr"
],
"chemical_system": "Cr-Hf-Mg",
"density": 2.6765683406576537,
"density_atomic": 0.04518545503207494,
"volume": 354.0962459854036,
"volume_molar": 13.327608974448033,
"formula_full": "Hf1 Mg14 Cr1",
"formula_reduced": "HfMg14Cr",
"formula_anonymous": "ABC14",
"energy": -40.06871995,
"energy_per_atom": -2.504294996875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.06871995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0682522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.197000Z",
"spacegroup": 187
},
{
"id": "mp-1183892",
"created_at": "2022-09-04T14:48:28.607896Z",
"structure_string": "Eu2 Cl4\n1.0\n6.719512 0.000000 0.000000\n0.000000 6.719512 0.000000\n0.000000 0.000000 4.425397\nEu Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.303888 0.303888 0.000000 Cl\n0.696112 0.696112 0.000000 Cl\n0.196112 0.803888 0.500000 Cl\n0.803888 0.196112 0.500000 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Eu",
"Cl"
],
"chemical_system": "Cl-Eu",
"density": 3.7042731301581013,
"density_atomic": 0.03002780214161655,
"volume": 199.8148239988699,
"volume_molar": 20.055216600930347,
"formula_full": "Eu2 Cl4",
"formula_reduced": "EuCl2",
"formula_anonymous": "AB2",
"energy": -44.58163304,
"energy_per_atom": -7.430272173333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.12563304,
"band_gap": 1.2108999999999996,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9995491,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.215000Z",
"spacegroup": 136
},
{
"id": "mp-1209479",
"created_at": "2022-09-04T14:48:29.364785Z",
"structure_string": "Sb8 N8 Cl8 F24\n1.0\n7.414918 0.000000 0.000000\n0.000000 8.956369 0.000000\n0.000000 0.000000 16.476821\nSb N Cl F\n8 8 8 24\ndirect\n0.138291 0.977876 0.175282 Sb\n0.861709 0.022124 0.824718 Sb\n0.361709 0.022124 0.675282 Sb\n0.861709 0.477876 0.324718 Sb\n0.638291 0.977876 0.324718 Sb\n0.138291 0.522124 0.675282 Sb\n0.638291 0.522124 0.824718 Sb\n0.361709 0.477876 0.175282 Sb\n0.177848 0.191065 0.451784 N\n0.822152 0.808935 0.548216 N\n0.322152 0.808935 0.951784 N\n0.822152 0.691065 0.048216 N\n0.677848 0.191065 0.048216 N\n0.177848 0.308935 0.951784 N\n0.677848 0.308935 0.548216 N\n0.322152 0.691065 0.451784 N\n0.010892 0.412851 0.173016 Cl\n0.989108 0.587149 0.826984 Cl\n0.489108 0.587149 0.673016 Cl\n0.989108 0.912851 0.326984 Cl\n0.510892 0.412851 0.326984 Cl\n0.010892 0.087149 0.673016 Cl\n0.510892 0.087149 0.826984 Cl\n0.489108 0.912851 0.173016 Cl\n0.166787 0.033415 0.063774 F\n0.833213 0.966585 0.936226 F\n0.333213 0.966585 0.563774 F\n0.833213 0.533415 0.436226 F\n0.666787 0.033415 0.436226 F\n0.166787 0.466585 0.563774 F\n0.666787 0.466585 0.936226 F\n0.333213 0.533415 0.063774 F\n0.382343 0.021560 0.334625 F\n0.617657 0.978440 0.665375 F\n0.117657 0.978440 0.834625 F\n0.617657 0.521560 0.165375 F\n0.882343 0.021560 0.165375 F\n0.382343 0.478440 0.834625 F\n0.882343 0.478440 0.665375 F\n0.117657 0.521560 0.334625 F\n0.385729 0.265477 0.159490 F\n0.614271 0.734523 0.840510 F\n0.114271 0.734523 0.659490 F\n0.614271 0.765477 0.340510 F\n0.885729 0.265477 0.340510 F\n0.385729 0.234523 0.659490 F\n0.885729 0.234523 0.840510 F\n0.114271 0.765477 0.159490 F\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Sb",
"N",
"Cl",
"F"
],
"chemical_system": "Cl-F-N-Sb",
"density": 2.7705841422424307,
"density_atomic": 0.04386614632764653,
"volume": 1094.2379036780835,
"volume_molar": 13.728447251826543,
"formula_full": "Sb8 N8 Cl8 F24",
"formula_reduced": "SbNClF3",
"formula_anonymous": "ABCD3",
"energy": -200.92142452,
"energy_per_atom": -4.185863010833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.92142452,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 31.4865873,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:43.223000Z",
"spacegroup": 61
}
]
}