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_theoretical&page=112",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=110",
"results": [
{
"id": "mp-1177226",
"created_at": "2022-09-04T14:39:08.367862Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n9.760354 0.000000 0.000000\n-4.875018 8.460284 0.000000\n-0.079622 -0.066106 14.324517\nLi V P O\n8 6 16 58\ndirect\n0.907989 0.673558 0.444306 Li\n0.322350 0.234701 0.445994 Li\n0.332338 0.092834 0.938034 Li\n0.902551 0.232135 0.936736 Li\n0.765433 0.096939 0.443915 Li\n0.231204 0.320150 0.055962 Li\n0.929152 0.916908 0.982693 Li\n0.995109 0.991661 0.512521 Li\n0.436378 0.998089 0.747053 V\n0.564561 0.000401 0.248800 V\n0.999939 0.565959 0.249266 V\n0.000229 0.437630 0.752718 V\n0.569986 0.568510 0.750569 V\n0.438582 0.437610 0.254403 V\n0.773683 0.689824 0.158380 P\n0.914551 0.690508 0.656679 P\n0.309834 0.223061 0.660170 P\n0.660990 0.329362 0.869579 P\n0.669708 0.332687 0.368729 P\n0.315070 0.089288 0.155130 P\n0.221603 0.917781 0.336067 P\n0.912944 0.227121 0.158156 P\n0.087721 0.782395 0.837447 P\n0.777496 0.089131 0.657105 P\n0.697264 0.914642 0.835942 P\n0.333703 0.661960 0.635303 P\n0.330102 0.664626 0.135097 P\n0.695380 0.780901 0.340275 P\n0.084947 0.306985 0.339347 P\n0.228280 0.315334 0.840512 P\n0.797015 0.793715 0.421664 O\n0.743031 0.659591 0.672366 O\n0.004731 0.801204 0.918128 O\n0.913768 0.655758 0.174278 O\n0.618208 0.533650 0.172473 O\n0.662467 0.475048 0.821148 O\n0.464758 0.381697 0.671317 O\n0.233744 0.230721 0.927621 O\n0.338268 0.257681 0.166927 O\n0.815148 0.486869 0.328770 O\n0.915160 0.535659 0.668628 O\n0.514166 0.323434 0.330766 O\n0.641307 0.322063 0.972955 O\n0.674888 0.328745 0.472694 O\n0.511950 0.181456 0.824071 O\n0.907442 0.381706 0.175735 O\n0.812198 0.326688 0.837365 O\n0.343032 0.083099 0.670498 O\n0.197570 0.984752 0.237388 O\n0.210209 0.011031 0.414885 O\n0.245590 0.020277 0.062681 O\n0.474882 0.093942 0.176655 O\n0.675960 0.186425 0.325244 O\n0.264670 0.917857 0.836713 O\n0.618400 0.086305 0.672104 O\n0.913238 0.259083 0.674562 O\n0.017270 0.808023 0.740387 O\n0.976550 0.775758 0.566141 O\n0.989684 0.201885 0.417151 O\n0.084400 0.743154 0.339344 O\n0.383070 0.922844 0.326418 O\n0.743896 0.084388 0.168017 O\n0.339348 0.814790 0.681643 O\n0.544930 0.924880 0.828221 O\n0.804991 0.004608 0.915984 O\n0.790815 0.024252 0.565308 O\n0.791781 0.985181 0.739267 O\n0.659231 0.919919 0.338330 O\n0.183985 0.665879 0.183550 O\n0.080616 0.621006 0.828424 O\n0.477386 0.814879 0.181355 O\n0.323304 0.669605 0.032141 O\n0.339652 0.672167 0.532290 O\n0.484689 0.666658 0.680092 O\n0.079648 0.462106 0.327597 O\n0.191607 0.519705 0.680997 O\n0.658086 0.740526 0.836071 O\n0.793074 0.802877 0.246162 O\n0.792191 0.778876 0.072205 O\n0.537414 0.622445 0.329946 O\n0.326632 0.514476 0.173999 O\n0.382931 0.471642 0.825062 O\n0.084018 0.340033 0.843486 O\n0.990665 0.230865 0.067072 O\n0.015874 0.212217 0.240581 O\n0.258473 0.342436 0.342482 O\n0.221146 0.202847 0.570734 O\n0.201107 0.205325 0.749438 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5054703720649307,
"density_atomic": 0.07439644330468469,
"volume": 1182.852245229023,
"volume_molar": 8.094662180740018,
"formula_full": "Li8 V6 P16 O58",
"formula_reduced": "Li4V3P8O29",
"formula_anonymous": "A3B4C8D29",
"energy": -670.18316338,
"energy_per_atom": -7.6157177656818185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -620.13716338,
"band_gap": 0.5949,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9994615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.234000Z",
"spacegroup": 1
},
{
"id": "mp-769953",
"created_at": "2022-09-04T14:39:10.376253Z",
"structure_string": "Tb8 Ti8 O28\n1.0\n7.013420 0.000000 0.000000\n0.000000 7.013420 0.000000\n0.000000 0.000000 12.731974\nTb Ti O\n8 8 28\ndirect\n0.630172 0.140002 0.135675 Tb\n0.640002 0.869828 0.885675 Tb\n0.859998 0.369828 0.364325 Tb\n0.869828 0.640002 0.114325 Tb\n0.130172 0.359998 0.614325 Tb\n0.140002 0.630172 0.864325 Tb\n0.359998 0.130172 0.385675 Tb\n0.369828 0.859998 0.635675 Tb\n0.600258 0.351838 0.612945 Ti\n0.648162 0.399742 0.887055 Ti\n0.851838 0.899742 0.362945 Ti\n0.899742 0.851838 0.637055 Ti\n0.100258 0.148162 0.137055 Ti\n0.148162 0.100258 0.862945 Ti\n0.351838 0.600258 0.387055 Ti\n0.399742 0.648162 0.112945 Ti\n0.542482 0.425255 0.387299 O\n0.573620 0.833948 0.071151 O\n0.574745 0.457518 0.112701 O\n0.637142 0.169957 0.956942 O\n0.666052 0.073620 0.321151 O\n0.669957 0.862858 0.706942 O\n0.678188 0.321812 0.750000 O\n0.821812 0.821812 0.500000 O\n0.830043 0.362858 0.543058 O\n0.833948 0.573620 0.928849 O\n0.862858 0.669957 0.293058 O\n0.925255 0.957518 0.137299 O\n0.926380 0.333948 0.178849 O\n0.957518 0.925255 0.862701 O\n0.042482 0.074745 0.362701 O\n0.073620 0.666052 0.678849 O\n0.074745 0.042482 0.637299 O\n0.137142 0.330043 0.793058 O\n0.166052 0.426380 0.428849 O\n0.169957 0.637142 0.043058 O\n0.178188 0.178188 0.000000 O\n0.321812 0.678188 0.250000 O\n0.330043 0.137142 0.206942 O\n0.333948 0.926380 0.821151 O\n0.362858 0.830043 0.456942 O\n0.425255 0.542482 0.612701 O\n0.426380 0.166052 0.571151 O\n0.457518 0.574745 0.887299 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Tb",
"Ti",
"O"
],
"chemical_system": "O-Tb-Ti",
"density": 5.574332812603089,
"density_atomic": 0.07025823548895309,
"volume": 626.2611022578022,
"volume_molar": 8.571437523430088,
"formula_full": "Tb8 Ti8 O28",
"formula_reduced": "Tb2Ti2O7",
"formula_anonymous": "A2B2C7",
"energy": -404.53709384,
"energy_per_atom": -9.19402486,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -385.30109384,
"band_gap": 3.8992,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004298,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.700000Z",
"spacegroup": 92
},
{
"id": "mp-1185010",
"created_at": "2022-09-04T14:39:10.382796Z",
"structure_string": "Li2 Ca1 Tl1\n1.0\n0.000000 3.551989 3.551989\n3.551989 0.000000 3.551989\n3.551989 3.551989 0.000000\nLi Ca Tl\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Tl"
],
"chemical_system": "Ca-Li-Tl",
"density": 4.786317103455471,
"density_atomic": 0.04462879483070046,
"volume": 89.62823251611474,
"volume_molar": 13.493845807051299,
"formula_full": "Li2 Ca1 Tl1",
"formula_reduced": "Li2CaTl",
"formula_anonymous": "ABC2",
"energy": -9.17980658,
"energy_per_atom": -2.294951645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.17980658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011184,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.926000Z",
"spacegroup": 225
},
{
"id": "mp-755399",
"created_at": "2022-09-04T14:39:10.391580Z",
"structure_string": "Li2 Cu1 Sn1 O4\n1.0\n3.017079 0.000000 0.000000\n0.000000 5.417841 0.000000\n0.000000 2.266400 5.056754\nLi Cu Sn O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.235847 0.221005 O\n0.500000 0.297470 0.745751 O\n0.000000 0.764153 0.778995 O\n0.500000 0.702530 0.254249 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Sn",
"O"
],
"chemical_system": "Cu-Li-O-Sn",
"density": 5.225936442422319,
"density_atomic": 0.09678436898281254,
"volume": 82.65797549830263,
"volume_molar": 6.2222245423426195,
"formula_full": "Li2 Cu1 Sn1 O4",
"formula_reduced": "Li2CuSnO4",
"formula_anonymous": "ABC2D4",
"energy": -46.44922813,
"energy_per_atom": -5.80615351625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.70122813,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9975781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.757000Z",
"spacegroup": 10
},
{
"id": "mp-1215359",
"created_at": "2022-09-04T14:39:10.393111Z",
"structure_string": "Zr5 Se8\n1.0\n-1.917590 -3.321363 0.000000\n1.917590 -3.321363 0.000000\n1.917590 1.107121 25.777028\nZr Se\n5 8\ndirect\n0.750019 0.124991 0.625028 Zr\n0.249038 0.375481 0.873557 Zr\n0.750962 0.624519 0.126443 Zr\n0.249981 0.875009 0.374972 Zr\n0.000000 0.000000 0.000000 Zr\n0.375818 0.812091 0.563727 Se\n0.875377 0.062312 0.813065 Se\n0.374973 0.312514 0.062459 Se\n0.875683 0.562159 0.313524 Se\n0.124317 0.437841 0.686476 Se\n0.625027 0.687486 0.937541 Se\n0.124623 0.937688 0.186935 Se\n0.624182 0.187909 0.436273 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.501273204503962,
"density_atomic": 0.039592088702559605,
"volume": 328.34842580961276,
"volume_molar": 15.21046491192235,
"formula_full": "Zr5 Se8",
"formula_reduced": "Zr5Se8",
"formula_anonymous": "A5B8",
"energy": -90.46694681,
"energy_per_atom": -6.958995908461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.69094681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.072137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.129000Z",
"spacegroup": 166
},
{
"id": "mp-757208",
"created_at": "2022-09-04T14:39:10.396076Z",
"structure_string": "Li6 V4 Cr2 O12\n1.0\n0.000238 -1.551320 2.536617\n6.058330 -2.851218 -0.001286\n6.993950 8.269783 5.058797\nLi V Cr O\n6 4 2 12\ndirect\n0.333274 0.333444 0.083326 Li\n0.333263 0.333468 0.583310 Li\n0.997201 0.005652 0.249559 Li\n0.997236 0.005567 0.749574 Li\n0.669368 0.661118 0.417073 Li\n0.669369 0.661114 0.917028 Li\n0.999547 0.000926 0.000057 V\n0.667128 0.665735 0.666613 V\n0.999518 0.000982 0.500059 V\n0.667129 0.665749 0.166597 V\n0.333323 0.333364 0.333363 Cr\n0.333305 0.333387 0.833330 Cr\n0.494665 0.010750 0.881124 O\n0.494621 0.010929 0.381122 O\n0.172059 0.655735 0.285533 O\n0.172102 0.655610 0.785566 O\n0.163953 0.672247 0.047991 O\n0.163967 0.672216 0.547981 O\n0.502794 0.994354 0.618675 O\n0.502794 0.994429 0.118702 O\n0.830571 0.339017 0.216579 O\n0.830578 0.338948 0.716581 O\n0.836091 0.327708 0.450121 O\n0.836142 0.327555 0.950141 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.9915984178806116,
"density_atomic": 0.10655973729375239,
"volume": 225.22578048254184,
"volume_molar": 5.651422303528032,
"formula_full": "Li6 V4 Cr2 O12",
"formula_reduced": "Li3V2CrO6",
"formula_anonymous": "AB2C3D6",
"energy": -185.60953802,
"energy_per_atom": -7.733730750833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -166.56753802,
"band_gap": 1.5825000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.916000Z",
"spacegroup": 12
},
{
"id": "mp-546027",
"created_at": "2022-09-04T14:39:08.375821Z",
"structure_string": "Cr2 Bi2 O6\n1.0\n-3.237750 4.569093 -0.000015\n-4.842803 -0.000026 2.811866\n1.631085 4.587553 2.809194\nCr Bi O\n2 2 6\ndirect\n0.545497 0.727253 0.181744 Cr\n0.545456 0.227273 0.681821 Cr\n0.989772 0.505113 0.515344 Bi\n0.989928 0.005036 0.015107 Bi\n0.648845 0.949387 0.900658 O\n0.501117 0.449377 0.400667 O\n0.048707 0.049502 0.400667 O\n0.648828 0.901786 0.400676 O\n0.501126 0.549495 0.900651 O\n0.048724 0.401777 0.900664 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Cr-O",
"density": 8.216822604727415,
"density_atomic": 0.08007591291895187,
"volume": 124.88149851156129,
"volume_molar": 7.520539623563526,
"formula_full": "Cr2 Bi2 O6",
"formula_reduced": "CrBiO3",
"formula_anonymous": "ABC3",
"energy": -76.6684541,
"energy_per_atom": -7.6668454100000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.5484541,
"band_gap": 1.5415,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.335000Z",
"spacegroup": 161
},
{
"id": "mp-1209635",
"created_at": "2022-09-04T14:39:10.399279Z",
"structure_string": "Pr10 Sn6 Au2\n1.0\n4.819093 -8.346913 0.000000\n4.819093 8.346913 0.000000\n0.000000 0.000000 6.851352\nPr Sn Au\n10 6 2\ndirect\n0.269869 0.000000 0.750000 Pr\n0.730131 0.000000 0.250000 Pr\n0.000000 0.269869 0.750000 Pr\n0.000000 0.730131 0.250000 Pr\n0.730131 0.730131 0.750000 Pr\n0.269869 0.269869 0.250000 Pr\n0.333333 0.666667 0.500000 Pr\n0.666667 0.333333 0.500000 Pr\n0.666667 0.333333 0.000000 Pr\n0.333333 0.666667 0.000000 Pr\n0.618625 0.000000 0.750000 Sn\n0.381375 0.000000 0.250000 Sn\n0.000000 0.618625 0.750000 Sn\n0.000000 0.381375 0.250000 Sn\n0.381375 0.381375 0.750000 Sn\n0.618625 0.618625 0.250000 Sn\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Pr",
"Sn",
"Au"
],
"chemical_system": "Au-Pr-Sn",
"density": 7.57767849558951,
"density_atomic": 0.03265690586387274,
"volume": 551.1851023189802,
"volume_molar": 18.440634838777225,
"formula_full": "Pr10 Sn6 Au2",
"formula_reduced": "Pr5Sn3Au",
"formula_anonymous": "AB3C5",
"energy": -91.76098524,
"energy_per_atom": -5.0978325133333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.76098524,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2102182,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.761000Z",
"spacegroup": 193
},
{
"id": "mp-1224972",
"created_at": "2022-09-04T14:39:07.431725Z",
"structure_string": "Fe1 Co1 As4\n1.0\n2.969687 0.000000 0.000000\n0.000000 5.220714 0.000000\n0.000000 0.006590 5.942026\nFe Co As\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Co\n0.500000 0.317138 0.137299 As\n0.500000 0.682862 0.862701 As\n0.000000 0.818011 0.360907 As\n0.000000 0.181989 0.639093 As\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"Co",
"As"
],
"chemical_system": "As-Co-Fe",
"density": 7.470701894144317,
"density_atomic": 0.06512925679176503,
"volume": 92.12449666335887,
"volume_molar": 9.246444772514957,
"formula_full": "Fe1 Co1 As4",
"formula_reduced": "FeCoAs4",
"formula_anonymous": "ABC4",
"energy": -35.91882382,
"energy_per_atom": -5.986470636666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.91882382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2661831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.873000Z",
"spacegroup": 10
},
{
"id": "mp-1275559",
"created_at": "2022-09-04T14:39:11.875109Z",
"structure_string": "Li6 V8 O16\n1.0\n1.705520 4.847693 2.945014\n-1.678216 -4.848155 8.820143\n3.647153 -4.937127 0.008704\nLi V O\n6 8 16\ndirect\n0.501511 0.999295 0.502656 Li\n0.006138 0.495495 0.503848 Li\n0.285166 0.071699 0.069976 Li\n0.789997 0.569657 0.071470 Li\n0.217504 0.425583 0.933735 Li\n0.713166 0.930409 0.934401 Li\n0.247575 0.751298 0.497444 V\n0.746867 0.747152 0.499760 V\n0.505839 0.499378 0.500814 V\n0.746367 0.251298 0.995733 V\n0.249087 0.750880 0.998046 V\n0.746371 0.249484 0.497219 V\n0.251003 0.249922 0.498805 V\n0.996888 0.005815 0.499816 V\n0.101047 0.122638 0.705391 O\n0.614608 0.639176 0.703475 O\n0.397740 0.369961 0.295453 O\n0.887639 0.871006 0.305203 O\n0.646623 0.123856 0.261087 O\n0.150493 0.628963 0.265455 O\n0.885889 0.362509 0.271468 O\n0.387315 0.863445 0.265374 O\n0.109835 0.122638 0.261284 O\n0.625396 0.634349 0.260421 O\n0.614608 0.135008 0.729401 O\n0.109835 0.637419 0.730593 O\n0.385989 0.369941 0.743086 O\n0.879263 0.873704 0.729822 O\n0.855002 0.372452 0.739408 O\n0.345241 0.875570 0.729356 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.8181183355105466,
"density_atomic": 0.09782023441235055,
"volume": 306.6850144065109,
"volume_molar": 6.156334419128789,
"formula_full": "Li6 V8 O16",
"formula_reduced": "Li3V4O8",
"formula_anonymous": "A3B4C8",
"energy": -237.1579303,
"energy_per_atom": -7.905264343333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.5659303,
"band_gap": 0.9378000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.264000Z",
"spacegroup": 1
},
{
"id": "mp-1184301",
"created_at": "2022-09-04T14:39:06.938923Z",
"structure_string": "Ga6 Ag2\n1.0\n2.907178 -5.035381 0.000000\n2.907178 5.035381 0.000000\n0.000000 0.000000 5.142811\nGa Ag\n6 2\ndirect\n0.166501 0.333002 0.250000 Ga\n0.666998 0.833499 0.250000 Ga\n0.166501 0.833499 0.250000 Ga\n0.833499 0.666998 0.750000 Ga\n0.333002 0.166501 0.750000 Ga\n0.833499 0.166501 0.750000 Ga\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Ag"
],
"chemical_system": "Ag-Ga",
"density": 6.992859407357946,
"density_atomic": 0.05313191471606831,
"volume": 150.56863737644704,
"volume_molar": 11.334319104029516,
"formula_full": "Ga6 Ag2",
"formula_reduced": "Ga3Ag",
"formula_anonymous": "AB3",
"energy": -23.33062783,
"energy_per_atom": -2.91632847875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.33062783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013853,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.107000Z",
"spacegroup": 194
},
{
"id": "mp-1094344",
"created_at": "2022-09-04T14:39:13.895832Z",
"structure_string": "Mg4 Ti2\n1.0\n1.507894 -8.287264 0.000000\n1.507894 8.287264 0.000000\n0.000000 0.000000 4.914176\nMg Ti\n4 2\ndirect\n0.213034 0.786966 0.250000 Mg\n0.890391 0.109609 0.250000 Mg\n0.109609 0.890391 0.750000 Mg\n0.786966 0.213034 0.750000 Mg\n0.545114 0.454886 0.250000 Ti\n0.454886 0.545114 0.750000 Ti\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Ti"
],
"chemical_system": "Mg-Ti",
"density": 2.6087964461031206,
"density_atomic": 0.04885269883407435,
"volume": 122.81818902940628,
"volume_molar": 12.327140370389541,
"formula_full": "Mg4 Ti2",
"formula_reduced": "Mg2Ti",
"formula_anonymous": "AB2",
"energy": -21.54050907,
"energy_per_atom": -3.590084845,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.54050907,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.7212567,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.875000Z",
"spacegroup": 63
}
]
}