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=-created_at&page=11456",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=11454",
"results": [
{
"id": "mp-985540",
"created_at": "2022-09-04T14:39:31.539657Z",
"structure_string": "Ac6 La2\n1.0\n3.958102 -6.855633 0.000000\n3.958102 6.855633 0.000000\n0.000000 0.000000 6.392177\nAc La\n6 2\ndirect\n0.832043 0.167957 0.750000 Ac\n0.335915 0.167957 0.750000 Ac\n0.832043 0.664085 0.750000 Ac\n0.167957 0.832043 0.250000 Ac\n0.664085 0.832043 0.250000 Ac\n0.167957 0.335915 0.250000 Ac\n0.666667 0.333333 0.250000 La\n0.333333 0.666667 0.750000 La\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ac",
"La"
],
"chemical_system": "Ac-La",
"density": 7.849275034225276,
"density_atomic": 0.02306092146763882,
"volume": 346.9072131929475,
"volume_molar": 26.11405085634074,
"formula_full": "Ac6 La2",
"formula_reduced": "Ac3La",
"formula_anonymous": "AB3",
"energy": -34.29546389,
"energy_per_atom": -4.28693298625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.29546389,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5002934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.108000Z",
"spacegroup": 194
},
{
"id": "mp-1183943",
"created_at": "2022-09-04T14:39:31.538412Z",
"structure_string": "Cs3 Yb1\n1.0\n7.108280 0.000000 0.000000\n0.000000 7.108280 0.000000\n0.000000 0.000000 7.108280\nCs Yb\n3 1\ndirect\n0.000000 0.500000 0.500000 Cs\n0.500000 0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cs",
"Yb"
],
"chemical_system": "Cs-Yb",
"density": 2.643422112232733,
"density_atomic": 0.01113695363051883,
"volume": 359.16464526158353,
"volume_molar": 54.07350124451808,
"formula_full": "Cs3 Yb1",
"formula_reduced": "Cs3Yb",
"formula_anonymous": "AB3",
"energy": -3.46184103,
"energy_per_atom": -0.8654602575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.46184103,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0641004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.269000Z",
"spacegroup": 221
},
{
"id": "mp-995184",
"created_at": "2022-09-04T14:39:31.537087Z",
"structure_string": "H2 C4\n1.0\n1.231554 6.211966 0.000000\n-1.231554 6.211966 0.000000\n0.000000 0.344379 3.798408\nH C\n2 4\ndirect\n0.193374 0.193374 0.249248 H\n0.806626 0.806626 0.750752 H\n0.556581 0.556581 0.426545 C\n0.443419 0.443419 0.573455 C\n0.108875 0.108875 0.358501 C\n0.891125 0.891125 0.641499 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.4302578964073382,
"density_atomic": 0.10323741311088945,
"volume": 58.11846518815108,
"volume_molar": 5.833292968636761,
"formula_full": "H2 C4",
"formula_reduced": "HC2",
"formula_anonymous": "AB2",
"energy": -43.44088484,
"energy_per_atom": -7.240147473333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.44088484,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.41e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.905000Z",
"spacegroup": 12
},
{
"id": "mp-1188603",
"created_at": "2022-09-04T14:39:31.536143Z",
"structure_string": "La1 Sb12 Ru4\n1.0\n-4.697419 4.697419 4.697419\n4.697419 -4.697419 4.697419\n4.697419 4.697419 -4.697419\nLa Sb Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 La\n0.158334 0.818762 0.660428 Sb\n0.841666 0.181238 0.339572 Sb\n0.841666 0.502094 0.660428 Sb\n0.158334 0.497906 0.339572 Sb\n0.818762 0.660428 0.158334 Sb\n0.181238 0.339572 0.841666 Sb\n0.502094 0.660428 0.841666 Sb\n0.497906 0.339572 0.158334 Sb\n0.660428 0.158334 0.818762 Sb\n0.339572 0.841666 0.181238 Sb\n0.660428 0.841666 0.502094 Sb\n0.339572 0.158334 0.497906 Sb\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 17,
"nelements": 3,
"elements": [
"La",
"Sb",
"Ru"
],
"chemical_system": "La-Ru-Sb",
"density": 8.027403946460424,
"density_atomic": 0.041002565384127464,
"volume": 414.6082041632664,
"volume_molar": 14.68722921012946,
"formula_full": "La1 Sb12 Ru4",
"formula_reduced": "La(Sb3Ru)4",
"formula_anonymous": "AB4C12",
"energy": -100.04255692,
"energy_per_atom": -5.884856289411765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.73855692,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.783000Z",
"spacegroup": 204
},
{
"id": "mp-1047608",
"created_at": "2022-09-04T14:39:31.534334Z",
"structure_string": "Co6 As8 O32\n1.0\n5.027905 0.000000 0.000000\n0.000000 9.007129 0.000000\n0.000000 5.468361 14.129340\nCo As O\n6 8 32\ndirect\n0.481622 0.208269 0.629173 Co\n0.518378 0.791731 0.370827 Co\n0.981622 0.791731 0.870827 Co\n0.018378 0.208269 0.129173 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.012558 0.032224 0.355505 As\n0.474415 0.424164 0.397476 As\n0.974415 0.575836 0.102524 As\n0.025585 0.424164 0.897476 As\n0.987442 0.967776 0.644495 As\n0.525585 0.575836 0.602524 As\n0.487442 0.032224 0.855505 As\n0.512558 0.967776 0.144495 As\n0.454168 0.804116 0.247918 O\n0.830398 0.708727 0.997123 O\n0.411422 0.374416 0.304878 O\n0.357946 0.125457 0.163929 O\n0.588578 0.625584 0.695122 O\n0.045832 0.804116 0.747918 O\n0.911422 0.625584 0.195122 O\n0.691045 0.470379 0.905443 O\n0.598287 0.096877 0.941713 O\n0.545832 0.195884 0.752082 O\n0.142054 0.125457 0.663929 O\n0.308955 0.529621 0.094557 O\n0.306649 0.595189 0.407033 O\n0.401713 0.903123 0.058287 O\n0.660073 0.034124 0.624220 O\n0.160073 0.965876 0.875780 O\n0.806649 0.404811 0.092967 O\n0.088578 0.374416 0.804878 O\n0.098287 0.903123 0.558287 O\n0.191045 0.529621 0.594557 O\n0.839927 0.034124 0.124220 O\n0.339927 0.965876 0.375780 O\n0.169602 0.291273 0.002877 O\n0.330398 0.291273 0.502877 O\n0.693351 0.404811 0.592967 O\n0.954168 0.195884 0.252082 O\n0.642054 0.874543 0.836071 O\n0.901713 0.096877 0.441713 O\n0.669602 0.708727 0.497123 O\n0.808955 0.470379 0.405443 O\n0.193351 0.595189 0.907033 O\n0.857946 0.874543 0.336071 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"Co",
"As",
"O"
],
"chemical_system": "As-Co-O",
"density": 3.801696113720276,
"density_atomic": 0.07188901114184673,
"volume": 639.8752642352499,
"volume_molar": 8.37699763058015,
"formula_full": "Co6 As8 O32",
"formula_reduced": "Co3(AsO4)4",
"formula_anonymous": "A3B4C16",
"energy": -293.34971991000003,
"energy_per_atom": -6.377167824130436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -261.53771991,
"band_gap": 0.1056,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9989341,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.042000Z",
"spacegroup": 14
},
{
"id": "mp-1211966",
"created_at": "2022-09-04T14:39:31.531034Z",
"structure_string": "K12 Gd4 Cl24\n1.0\n7.853936 0.000000 0.000000\n0.000000 12.735072 0.000000\n0.000000 4.226457 12.581859\nK Gd Cl\n12 4 24\ndirect\n0.436405 0.733755 0.315353 K\n0.563595 0.266245 0.684647 K\n0.936405 0.766245 0.684647 K\n0.063595 0.233755 0.315353 K\n0.967374 0.640895 0.098737 K\n0.032626 0.359105 0.901263 K\n0.467374 0.859105 0.901263 K\n0.532626 0.140895 0.098737 K\n0.933967 0.887129 0.320453 K\n0.066033 0.112871 0.679547 K\n0.433967 0.612871 0.679547 K\n0.566033 0.387129 0.320453 K\n0.000000 0.500000 0.500000 Gd\n0.500000 0.000000 0.500000 Gd\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.000000 Gd\n0.499608 0.630844 0.119198 Cl\n0.500392 0.369156 0.880802 Cl\n0.999608 0.869156 0.880802 Cl\n0.000392 0.130844 0.119198 Cl\n0.289594 0.995877 0.343013 Cl\n0.710406 0.004123 0.656987 Cl\n0.789594 0.504123 0.656987 Cl\n0.210406 0.495877 0.343013 Cl\n0.783607 0.608051 0.344826 Cl\n0.216393 0.391949 0.655174 Cl\n0.283607 0.891949 0.655174 Cl\n0.716393 0.108051 0.344826 Cl\n0.644540 0.806560 0.499599 Cl\n0.355460 0.193440 0.500401 Cl\n0.144540 0.693440 0.500401 Cl\n0.855460 0.306560 0.499599 Cl\n0.179650 0.842482 0.140611 Cl\n0.820350 0.157518 0.859389 Cl\n0.679650 0.657518 0.859389 Cl\n0.320350 0.342482 0.140611 Cl\n0.711209 0.904161 0.104197 Cl\n0.288791 0.095839 0.895803 Cl\n0.211209 0.595839 0.895803 Cl\n0.788791 0.404161 0.104197 Cl\n",
"nsites": 40,
"nelements": 3,
"elements": [
"K",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K",
"density": 2.571809865063937,
"density_atomic": 0.031785307317105174,
"volume": 1258.4430787766557,
"volume_molar": 18.946303397101975,
"formula_full": "K12 Gd4 Cl24",
"formula_reduced": "K3GdCl6",
"formula_anonymous": "AB3C6",
"energy": -213.4631665,
"energy_per_atom": -5.3365791625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.7271665,
"band_gap": 2.853,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 28.0168462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.412000Z",
"spacegroup": 14
},
{
"id": "mp-1179159",
"created_at": "2022-09-04T14:39:31.517819Z",
"structure_string": "Tl2 C8 S8 N2\n1.0\n7.405320 0.404167 -0.337987\n-0.596482 8.728998 5.035605\n-1.408248 1.003365 9.992997\nTl C S N\n2 8 8 2\ndirect\n0.764945 0.832831 0.604926 Tl\n0.235055 0.167169 0.395074 Tl\n0.889005 0.792425 0.227738 C\n0.110995 0.207575 0.772262 C\n0.013387 0.730931 0.200836 C\n0.986613 0.269069 0.799164 C\n0.754752 0.860736 0.237138 C\n0.245248 0.139264 0.762862 C\n0.248208 0.643598 0.115998 C\n0.751792 0.356402 0.884002 C\n0.411560 0.055718 0.752093 S\n0.588440 0.944282 0.247907 S\n0.352246 0.820511 0.550907 S\n0.647754 0.179489 0.449093 S\n0.351285 0.622659 0.006218 S\n0.648715 0.377341 0.993782 S\n0.203379 0.669969 0.721095 S\n0.796621 0.330031 0.278905 S\n0.126391 0.679941 0.161959 N\n0.873609 0.320059 0.838041 N\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tl",
"C",
"S",
"N"
],
"chemical_system": "C-N-S-Tl",
"density": 2.169732579856329,
"density_atomic": 0.03310532903556444,
"volume": 604.1323431195735,
"volume_molar": 18.190850039673446,
"formula_full": "Tl2 C8 S8 N2",
"formula_reduced": "TlC4S4N",
"formula_anonymous": "ABC4D4",
"energy": -122.51427465999998,
"energy_per_atom": -6.1257137329999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.76827466,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0093881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.370000Z",
"spacegroup": 2
},
{
"id": "mp-1175736",
"created_at": "2022-09-04T14:39:31.513164Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.973488 0.000000 0.000000\n-0.994771 6.608486 0.000000\n-0.816543 -1.500166 8.662321\nLi Mn Co O\n9 2 5 16\ndirect\n0.245319 0.682328 0.806502 Li\n0.239489 0.930718 0.552160 Li\n0.748039 0.566315 0.939741 Li\n0.744490 0.807119 0.680091 Li\n0.245067 0.445101 0.068145 Li\n0.251984 0.188687 0.319376 Li\n0.756060 0.057388 0.436481 Li\n0.762171 0.318826 0.197481 Li\n0.997982 0.749474 0.253763 Li\n0.003575 0.993102 0.000632 Mn\n0.501961 0.871220 0.127862 Mn\n0.003080 0.248638 0.751336 Co\n0.996024 0.505547 0.494914 Co\n0.501393 0.123496 0.874601 Co\n0.501715 0.380278 0.626613 Co\n0.497961 0.632224 0.370005 Co\n0.141242 0.975776 0.797989 O\n0.132054 0.227954 0.547356 O\n0.643929 0.850630 0.922642 O\n0.637171 0.108192 0.675824 O\n0.136771 0.746888 0.032159 O\n0.142552 0.473030 0.288977 O\n0.636115 0.353936 0.412769 O\n0.605641 0.616995 0.151662 O\n0.353588 0.391424 0.837966 O\n0.358753 0.645557 0.588253 O\n0.876019 0.251877 0.957395 O\n0.853791 0.522448 0.714603 O\n0.375283 0.132632 0.080288 O\n0.388825 0.906435 0.328802 O\n0.856609 0.769332 0.465404 O\n0.865345 0.026428 0.198207 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.216877186590177,
"density_atomic": 0.11239646600297683,
"volume": 284.7064604251212,
"volume_molar": 5.3579449373795285,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.06097575,
"energy_per_atom": -6.5331554921875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.54297575,
"band_gap": 1.2907000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9998771,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.065000Z",
"spacegroup": 1
},
{
"id": "mp-540553",
"created_at": "2022-09-04T14:39:31.512402Z",
"structure_string": "Te7 O6 F30\n1.0\n9.103319 0.000000 0.000000\n-1.601857 9.174092 0.000000\n-1.660639 -4.366953 8.100034\nTe O F\n7 6 30\ndirect\n0.000000 0.000000 0.000000 Te\n0.248687 0.394245 0.084363 Te\n0.751313 0.605755 0.915637 Te\n0.773791 0.242152 0.239131 Te\n0.226209 0.757848 0.760869 Te\n0.241745 0.074966 0.392842 Te\n0.758255 0.925034 0.607158 Te\n0.059187 0.220137 0.016800 O\n0.940813 0.779863 0.983200 O\n0.883674 0.074918 0.162327 O\n0.116326 0.925082 0.837673 O\n0.188475 0.054175 0.172938 O\n0.811525 0.945825 0.827062 O\n0.131188 0.545246 0.140314 F\n0.868812 0.454754 0.859686 F\n0.296873 0.427073 0.300986 F\n0.703127 0.572927 0.699014 F\n0.369654 0.246076 0.028876 F\n0.630346 0.753924 0.971124 F\n0.205436 0.370143 0.871204 F\n0.794564 0.629857 0.128796 F\n0.424637 0.567651 0.147179 F\n0.575363 0.432349 0.852821 F\n0.820001 0.243934 0.442525 F\n0.179999 0.756066 0.557475 F\n0.954412 0.414864 0.314047 F\n0.045588 0.585136 0.685953 F\n0.724820 0.244118 0.037236 F\n0.275180 0.755882 0.962764 F\n0.590674 0.074851 0.169678 F\n0.409326 0.925149 0.830322 F\n0.665977 0.398890 0.320136 F\n0.334023 0.601110 0.679864 F\n0.428781 0.227271 0.438595 F\n0.571219 0.772729 0.561405 F\n0.150469 0.247571 0.475575 F\n0.849531 0.752429 0.524425 F\n0.056236 0.921242 0.349931 F\n0.943764 0.078758 0.650069 F\n0.337132 0.904883 0.319247 F\n0.662868 0.095117 0.680753 F\n0.303681 0.099390 0.605043 F\n0.696319 0.900610 0.394957 F\n",
"nsites": 43,
"nelements": 3,
"elements": [
"Te",
"O",
"F"
],
"chemical_system": "F-O-Te",
"density": 3.8272504527397877,
"density_atomic": 0.06356510388475028,
"volume": 676.4717961912432,
"volume_molar": 9.473972969380696,
"formula_full": "Te7 O6 F30",
"formula_reduced": "Te7(OF5)6",
"formula_anonymous": "A6B7C30",
"energy": -203.01162537,
"energy_per_atom": -4.72120059,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.02962537,
"band_gap": 2.9024,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.631000Z",
"spacegroup": 2
},
{
"id": "mp-861621",
"created_at": "2022-09-04T14:39:31.503874Z",
"structure_string": "Eu2 Fe2 O5\n1.0\n3.961245 0.000000 0.000000\n0.000000 3.961245 0.000000\n0.000000 0.000000 7.501450\nEu Fe O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.500000 0.500000 0.240218 Fe\n0.500000 0.500000 0.759782 Fe\n0.500000 0.000000 0.211423 O\n0.500000 0.000000 0.788577 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.211423 O\n0.000000 0.500000 0.788577 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Eu",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-O",
"density": 6.991734246664832,
"density_atomic": 0.07645992761322994,
"volume": 117.70871724501504,
"volume_molar": 7.876205154761333,
"formula_full": "Eu2 Fe2 O5",
"formula_reduced": "Eu2Fe2O5",
"formula_anonymous": "A2B2C5",
"energy": -83.48670908,
"energy_per_atom": -9.276301008888888,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.53970908,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.5400809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.005000Z",
"spacegroup": 123
},
{
"id": "mp-1192029",
"created_at": "2022-09-04T14:39:31.503169Z",
"structure_string": "Tm6 Al2 Ni16\n1.0\n2.506237 -4.340930 0.000000\n2.506237 4.340930 0.000000\n0.000000 0.000000 15.962697\nTm Al Ni\n6 2 16\ndirect\n0.333333 0.666667 0.959124 Tm\n0.666667 0.333333 0.040876 Tm\n0.666667 0.333333 0.459124 Tm\n0.333333 0.666667 0.540876 Tm\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.167897 0.832103 0.373692 Ni\n0.167897 0.335794 0.373692 Ni\n0.664206 0.832103 0.373692 Ni\n0.832103 0.167897 0.626308 Ni\n0.832103 0.664206 0.626308 Ni\n0.335794 0.167897 0.626308 Ni\n0.832103 0.167897 0.873692 Ni\n0.832103 0.664206 0.873692 Ni\n0.335794 0.167897 0.873692 Ni\n0.167897 0.832103 0.126308 Ni\n0.167897 0.335794 0.126308 Ni\n0.664206 0.832103 0.126308 Ni\n0.000000 0.000000 0.250000 Ni\n0.000000 0.000000 0.750000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Tm",
"density": 9.593615266724083,
"density_atomic": 0.06909872852963189,
"volume": 347.32911170294517,
"volume_molar": 8.715270003003747,
"formula_full": "Tm6 Al2 Ni16",
"formula_reduced": "Tm3AlNi8",
"formula_anonymous": "AB3C8",
"energy": -138.95207183,
"energy_per_atom": -5.789669659583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.95207183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0136547,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.101000Z",
"spacegroup": 194
},
{
"id": "mp-1215323",
"created_at": "2022-09-04T14:39:31.494893Z",
"structure_string": "Zr4 Cr4 Fe4\n1.0\n-2.540389 -4.346258 0.000000\n-5.034594 -0.026663 0.000000\n0.000000 0.000000 -8.094804\nZr Cr Fe\n4 4 4\ndirect\n0.333532 0.333548 0.560848 Zr\n0.665866 0.665902 0.436560 Zr\n0.665866 0.665902 0.063440 Zr\n0.333532 0.333548 0.939152 Zr\n0.000246 0.000195 0.503402 Cr\n0.000246 0.000195 0.996598 Cr\n0.831353 0.338985 0.750000 Cr\n0.339007 0.831350 0.750000 Cr\n0.828922 0.828940 0.750000 Fe\n0.167304 0.665128 0.250000 Fe\n0.665123 0.167303 0.250000 Fe\n0.169002 0.169005 0.250000 Fe\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"Fe"
],
"chemical_system": "Cr-Fe-Zr",
"density": 7.487974546252557,
"density_atomic": 0.06795812536765122,
"volume": 176.57932638783655,
"volume_molar": 8.861546323446118,
"formula_full": "Zr4 Cr4 Fe4",
"formula_reduced": "ZrCrFe",
"formula_anonymous": "ABC",
"energy": -108.1895249,
"energy_per_atom": -9.015793741666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.1895249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8237279,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.695000Z",
"spacegroup": 38
}
]
}