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=chemical_system&page=12193",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12191",
"results": [
{
"id": "mp-1202791",
"created_at": "2022-09-04T14:47:12.510806Z",
"structure_string": "Y6 Zn30\n1.0\n4.466983 -7.737041 0.000000\n4.466983 7.737041 0.000000\n0.000000 0.000000 9.033254\nY Zn\n6 30\ndirect\n0.190835 0.809165 0.250000 Y\n0.190835 0.381670 0.250000 Y\n0.618330 0.809165 0.250000 Y\n0.809165 0.190835 0.750000 Y\n0.809165 0.618330 0.750000 Y\n0.381670 0.190835 0.750000 Y\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.485679 Zn\n0.666667 0.333333 0.514321 Zn\n0.666667 0.333333 0.985679 Zn\n0.333333 0.666667 0.014321 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.568272 0.431728 0.250000 Zn\n0.568272 0.136543 0.250000 Zn\n0.863457 0.431728 0.250000 Zn\n0.431728 0.568272 0.750000 Zn\n0.431728 0.863457 0.750000 Zn\n0.136543 0.568272 0.750000 Zn\n0.839888 0.160112 0.408962 Zn\n0.839888 0.679776 0.408962 Zn\n0.320224 0.160112 0.408962 Zn\n0.160112 0.839888 0.591038 Zn\n0.160112 0.320224 0.591038 Zn\n0.679776 0.839888 0.591038 Zn\n0.160112 0.839888 0.908962 Zn\n0.160112 0.320224 0.908962 Zn\n0.679776 0.839888 0.908962 Zn\n0.839888 0.160112 0.091038 Zn\n0.839888 0.679776 0.091038 Zn\n0.320224 0.160112 0.091038 Zn\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.637108973679535,
"density_atomic": 0.057655279934304644,
"volume": 624.4007494373495,
"volume_molar": 10.445081121558918,
"formula_full": "Y6 Zn30",
"formula_reduced": "YZn5",
"formula_anonymous": "AB5",
"energy": -86.85086644,
"energy_per_atom": -2.412524067777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.85086644,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.25e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.674000Z",
"spacegroup": 194
},
{
"id": "mp-1072382",
"created_at": "2022-09-04T14:39:36.095524Z",
"structure_string": "Y2 Zn4\n1.0\n0.000000 3.867392 3.867392\n3.867392 0.000000 3.867392\n3.867392 3.867392 0.000000\nY Zn\n2 4\ndirect\n0.500000 0.500000 0.500000 Y\n0.750000 0.750000 0.750000 Y\n0.625000 0.125000 0.125000 Zn\n0.125000 0.625000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.125000 0.125000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.307709939042229,
"density_atomic": 0.05186407912380532,
"volume": 115.68700536796061,
"volume_molar": 11.611390507145574,
"formula_full": "Y2 Zn4",
"formula_reduced": "YZn2",
"formula_anonymous": "AB2",
"energy": -20.07806554,
"energy_per_atom": -3.346344256666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.07806554,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045782,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.302000Z",
"spacegroup": 227
},
{
"id": "mp-179",
"created_at": "2022-09-04T14:40:19.783027Z",
"structure_string": "Y1 Zn1\n1.0\n0.000000 2.962987 2.962987\n2.962987 0.000000 2.962987\n2.962987 2.962987 0.000000\nY Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 4.925355527901485,
"density_atomic": 0.03844242377492136,
"volume": 52.02585590622248,
"volume_molar": 15.665351371337458,
"formula_full": "Y1 Zn1",
"formula_reduced": "YZn",
"formula_anonymous": "AB",
"energy": -7.9025236,
"energy_per_atom": -3.9512618,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.9025236,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.813000Z",
"spacegroup": 225
},
{
"id": "mp-30884",
"created_at": "2022-09-04T14:39:39.894592Z",
"structure_string": "Y4 Zn12\n1.0\n4.392041 0.000000 0.000000\n0.000000 6.713030 0.000000\n0.000000 0.000000 10.121884\nY Zn\n4 12\ndirect\n0.250000 0.279880 0.661250 Y\n0.750000 0.720120 0.338750 Y\n0.250000 0.779880 0.838750 Y\n0.750000 0.220120 0.161250 Y\n0.250000 0.536604 0.105554 Zn\n0.750000 0.463396 0.894446 Zn\n0.250000 0.036604 0.394446 Zn\n0.750000 0.963396 0.605554 Zn\n0.750000 0.280242 0.456203 Zn\n0.250000 0.719758 0.543797 Zn\n0.750000 0.780242 0.043797 Zn\n0.250000 0.219758 0.956203 Zn\n0.750000 0.582915 0.647514 Zn\n0.250000 0.417085 0.352486 Zn\n0.750000 0.082915 0.852486 Zn\n0.250000 0.917085 0.147514 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.346145342770593,
"density_atomic": 0.053613437456666344,
"volume": 298.4326459748487,
"volume_molar": 11.232521258998664,
"formula_full": "Y4 Zn12",
"formula_reduced": "YZn3",
"formula_anonymous": "AB3",
"energy": -47.00754748,
"energy_per_atom": -2.9379717175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.00754748,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018611,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.677000Z",
"spacegroup": 62
},
{
"id": "mp-1103536",
"created_at": "2022-09-04T14:44:10.424705Z",
"structure_string": "Y3 Zn11\n1.0\n-2.216598 4.415682 6.471994\n2.216598 -4.415682 6.471994\n2.216598 4.415682 -6.471994\nY Zn\n3 11\ndirect\n0.000000 0.000000 0.000000 Y\n0.293843 0.293843 0.000000 Y\n0.706157 0.706157 0.000000 Y\n0.500000 0.000000 0.500000 Zn\n0.682321 0.500000 0.182321 Zn\n0.317679 0.500000 0.817679 Zn\n0.701332 0.341630 0.359702 Zn\n0.298668 0.658370 0.640298 Zn\n0.981928 0.341630 0.640298 Zn\n0.018072 0.658370 0.359702 Zn\n0.418681 0.138404 0.280277 Zn\n0.581319 0.861596 0.719723 Zn\n0.858127 0.138404 0.719723 Zn\n0.141873 0.861596 0.280277 Zn\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.463065535982376,
"density_atomic": 0.05525164486150389,
"volume": 253.38612153706902,
"volume_molar": 10.899477789476407,
"formula_full": "Y3 Zn11",
"formula_reduced": "Y3Zn11",
"formula_anonymous": "A3B11",
"energy": -38.14404975,
"energy_per_atom": -2.7245749821428573,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.14404975,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0045839,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.012000Z",
"spacegroup": 71
},
{
"id": "mp-17639",
"created_at": "2022-09-04T14:45:14.230998Z",
"structure_string": "Y2 Zn17\n1.0\n5.114262 -4.486820 0.000000\n5.114262 4.486820 0.000000\n1.177907 0.000000 6.700729\nY Zn\n2 17\ndirect\n0.665099 0.665099 0.665099 Y\n0.334901 0.334901 0.334901 Y\n0.351747 0.351747 0.838132 Zn\n0.838132 0.351747 0.351747 Zn\n0.099798 0.099798 0.099798 Zn\n0.900202 0.900202 0.900202 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.296901 0.703099 0.000000 Zn\n0.703099 0.000000 0.296901 Zn\n0.000000 0.296901 0.703099 Zn\n0.703099 0.296901 0.000000 Zn\n0.296901 0.000000 0.703099 Zn\n0.000000 0.703099 0.296901 Zn\n0.161868 0.648253 0.648253 Zn\n0.648253 0.648253 0.161868 Zn\n0.648253 0.161868 0.648253 Zn\n0.351747 0.838132 0.351747 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 6.964435399431922,
"density_atomic": 0.061784556188597364,
"volume": 307.5202149547291,
"volume_molar": 9.747000110541242,
"formula_full": "Y2 Zn17",
"formula_reduced": "Y2Zn17",
"formula_anonymous": "A2B17",
"energy": -39.08507151,
"energy_per_atom": -2.057109026842105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.08507151,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:59.258000Z",
"spacegroup": 166
},
{
"id": "mp-1189228",
"created_at": "2022-09-04T14:45:36.546358Z",
"structure_string": "Y8 Zn12\n1.0\n-2.802702 -4.846635 0.000019\n-2.822429 4.858041 -0.000240\n-0.000663 0.000427 -19.469418\nY Zn\n8 12\ndirect\n0.000012 0.999559 0.584395 Y\n0.000067 0.000979 0.415698 Y\n0.999965 0.000454 0.084248 Y\n0.999939 0.999056 0.915558 Y\n0.667237 0.334873 0.632452 Y\n0.332736 0.665222 0.367652 Y\n0.332657 0.665000 0.132373 Y\n0.667269 0.334817 0.867593 Y\n0.500287 0.500176 0.999913 Zn\n0.999923 0.500318 0.999960 Zn\n0.499874 0.999996 0.000084 Zn\n0.499835 0.499763 0.499897 Zn\n0.999860 0.499589 0.499952 Zn\n0.500229 0.000191 0.500069 Zn\n0.851273 0.702121 0.749986 Zn\n0.849742 0.148365 0.750058 Zn\n0.298233 0.147764 0.750042 Zn\n0.148768 0.297859 0.250002 Zn\n0.150262 0.851659 0.250045 Zn\n0.701831 0.852241 0.250023 Zn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Y",
"Zn"
],
"chemical_system": "Y-Zn",
"density": 4.67509847738425,
"density_atomic": 0.03763527825783679,
"volume": 531.4162914641239,
"volume_molar": 16.0013185467707,
"formula_full": "Y8 Zn12",
"formula_reduced": "Y2Zn3",
"formula_anonymous": "A2B3",
"energy": -63.65818276,
"energy_per_atom": -3.1829091380000003,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.65818276,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.0933106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.758000Z",
"spacegroup": 194
},
{
"id": "mp-971933",
"created_at": "2022-09-04T14:40:04.136937Z",
"structure_string": "Y1 Zr1\n1.0\n1.711792 -2.964910 0.000000\n1.711792 2.964910 0.000000\n0.000000 0.000000 5.402587\nY Zr\n1 1\ndirect\n0.666667 0.333333 0.500000 Y\n0.333333 0.666667 0.000000 Zr\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Zr"
],
"chemical_system": "Y-Zr",
"density": 5.454318727405002,
"density_atomic": 0.03646999665817532,
"volume": 54.83959921207366,
"volume_molar": 16.512589283854634,
"formula_full": "Y1 Zr1",
"formula_reduced": "YZr",
"formula_anonymous": "AB",
"energy": -14.78896922,
"energy_per_atom": -7.39448461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.78896922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0194661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.907000Z",
"spacegroup": 187
},
{
"id": "mp-1245184",
"created_at": "2022-09-04T14:42:04.342870Z",
"structure_string": "Zn100\n1.0\n11.791916 -0.590491 0.336102\n-0.574888 11.777260 -0.117554\n0.316093 -0.102528 11.574528\nZn\n100\ndirect\n0.051886 0.581296 0.492227 Zn\n0.300362 0.150346 0.167680 Zn\n0.918463 0.158247 0.362569 Zn\n0.299956 0.744170 0.255131 Zn\n0.239810 0.212089 0.578156 Zn\n0.439373 0.887671 0.668382 Zn\n0.719489 0.942140 0.164297 Zn\n0.198241 0.199390 0.803565 Zn\n0.279720 0.281848 0.994473 Zn\n0.602667 0.815108 0.524177 Zn\n0.584162 0.412190 0.367378 Zn\n0.467484 0.299634 0.207811 Zn\n0.141251 0.653685 0.881779 Zn\n0.082285 0.077066 0.225511 Zn\n0.609490 0.214037 0.933504 Zn\n0.786144 0.723961 0.623471 Zn\n0.052033 0.289380 0.960145 Zn\n0.195883 0.990116 0.044551 Zn\n0.266118 0.961275 0.302818 Zn\n0.741005 0.546245 0.265294 Zn\n0.777344 0.263861 0.530807 Zn\n0.569099 0.634638 0.961527 Zn\n0.189298 0.472189 0.021024 Zn\n0.071258 0.792514 0.032093 Zn\n0.199872 0.815988 0.679762 Zn\n0.910323 0.379986 0.721768 Zn\n0.917956 0.208379 0.134742 Zn\n0.593737 0.747089 0.743159 Zn\n0.131958 0.435066 0.804523 Zn\n0.311119 0.412289 0.671950 Zn\n0.629542 0.586866 0.514219 Zn\n0.693514 0.165071 0.150583 Zn\n0.978851 0.107355 0.836384 Zn\n0.084241 0.917936 0.854107 Zn\n0.953693 0.374859 0.429451 Zn\n0.128121 0.463089 0.309332 Zn\n0.754529 0.609868 0.814114 Zn\n0.413479 0.466062 0.985797 Zn\n0.638421 0.721162 0.157697 Zn\n0.779179 0.315965 0.298913 Zn\n0.832366 0.293874 0.933246 Zn\n0.379678 0.793821 0.466739 Zn\n0.504269 0.380726 0.579847 Zn\n0.794532 0.588188 0.039018 Zn\n0.163022 0.788464 0.451556 Zn\n0.786884 0.062576 0.963205 Zn\n0.942342 0.444826 0.157024 Zn\n0.138388 0.244681 0.387736 Zn\n0.389226 0.109726 0.947682 Zn\n0.270589 0.588647 0.430143 Zn\n0.199888 0.597699 0.653541 Zn\n0.975389 0.612397 0.712818 Zn\n0.478599 0.830327 0.924049 Zn\n0.490900 0.000843 0.457794 Zn\n0.686657 0.373622 0.101621 Zn\n0.496542 0.633891 0.344536 Zn\n0.355296 0.162453 0.389270 Zn\n0.075733 0.825388 0.251317 Zn\n0.970223 0.001836 0.047393 Zn\n0.865174 0.788505 0.129869 Zn\n0.943882 0.629069 0.291071 Zn\n0.907772 0.757522 0.892863 Zn\n0.342569 0.383996 0.417977 Zn\n0.123280 0.627807 0.153669 Zn\n0.423345 0.615608 0.588280 Zn\n0.326809 0.521798 0.209700 Zn\n0.527033 0.855527 0.289567 Zn\n0.497315 0.073602 0.237449 Zn\n0.893327 0.941266 0.298636 Zn\n0.744236 0.760475 0.358349 Zn\n0.698687 0.835184 0.958095 Zn\n0.709338 0.447000 0.662641 Zn\n0.570378 0.020496 0.806626 Zn\n0.320933 0.682687 0.030284 Zn\n0.979256 0.189086 0.588412 Zn\n0.790842 0.931739 0.766041 Zn\n0.278064 0.984276 0.534954 Zn\n0.646686 0.423840 0.887188 Zn\n0.836537 0.543156 0.494445 Zn\n0.403618 0.114087 0.681271 Zn\n0.495371 0.524467 0.769456 Zn\n0.071581 0.007223 0.443296 Zn\n0.109404 0.385634 0.587396 Zn\n0.303239 0.925926 0.848662 Zn\n0.946518 0.775824 0.458835 Zn\n0.797438 0.164693 0.743630 Zn\n0.606452 0.235585 0.693936 Zn\n0.431188 0.302116 0.819540 Zn\n0.541019 0.512275 0.160083 Zn\n0.975506 0.841306 0.677446 Zn\n0.576265 0.210092 0.449333 Zn\n0.379903 0.899372 0.112553 Zn\n0.664173 0.035905 0.598961 Zn\n0.849456 0.954569 0.534328 Zn\n0.564135 0.015749 0.030800 Zn\n0.707601 0.046537 0.367558 Zn\n0.350357 0.693055 0.798691 Zn\n0.135404 0.294960 0.170234 Zn\n0.105289 0.038112 0.664844 Zn\n0.958485 0.501857 0.926945 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.779283164252495,
"density_atomic": 0.06241617740851449,
"volume": 1602.1487401495133,
"volume_molar": 9.648365231637033,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -121.08917173,
"energy_per_atom": -1.2108917173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.08917173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.300000Z",
"spacegroup": 1
},
{
"id": "mp-1244987",
"created_at": "2022-09-04T14:47:27.348553Z",
"structure_string": "Zn100\n1.0\n11.706464 0.331444 -0.299754\n0.351417 11.811438 -0.491175\n-0.315011 -0.493333 11.703576\nZn\n100\ndirect\n0.948285 0.646914 0.594303 Zn\n0.291274 0.108757 0.100264 Zn\n0.964411 0.217735 0.407935 Zn\n0.269466 0.625166 0.240734 Zn\n0.225154 0.129736 0.453224 Zn\n0.433616 0.878988 0.645804 Zn\n0.624232 0.901217 0.137379 Zn\n0.171050 0.190993 0.812744 Zn\n0.270937 0.305378 0.998508 Zn\n0.541205 0.755882 0.466929 Zn\n0.672320 0.321084 0.521191 Zn\n0.532903 0.304867 0.201498 Zn\n0.212982 0.730141 0.930812 Zn\n0.105386 0.100778 0.236309 Zn\n0.629987 0.222644 0.867043 Zn\n0.745520 0.729052 0.555014 Zn\n0.046737 0.346787 0.920265 Zn\n0.441738 0.953009 0.007915 Zn\n0.299161 0.993844 0.285816 Zn\n0.688703 0.629864 0.329021 Zn\n0.877245 0.309494 0.608716 Zn\n0.563004 0.590595 0.942821 Zn\n0.327645 0.405733 0.217644 Zn\n0.048975 0.890931 0.966062 Zn\n0.080749 0.794999 0.522031 Zn\n0.918023 0.488491 0.765168 Zn\n0.906131 0.206894 0.184249 Zn\n0.522837 0.681755 0.709574 Zn\n0.080021 0.562025 0.900182 Zn\n0.142641 0.412151 0.730708 Zn\n0.597852 0.540733 0.546471 Zn\n0.701414 0.200549 0.082497 Zn\n0.936669 0.078216 0.820762 Zn\n0.191466 0.820283 0.727376 Zn\n0.895949 0.409804 0.298352 Zn\n0.075370 0.536630 0.288973 Zn\n0.744997 0.639252 0.769063 Zn\n0.482944 0.363497 0.987378 Zn\n0.691213 0.686121 0.112774 Zn\n0.727201 0.206465 0.323923 Zn\n0.890314 0.380860 0.068774 Zn\n0.309144 0.718323 0.489177 Zn\n0.514308 0.265806 0.658379 Zn\n0.868015 0.677952 0.972908 Zn\n0.150964 0.804236 0.309853 Zn\n0.868913 0.029580 0.048713 Zn\n0.890551 0.589253 0.164594 Zn\n0.153160 0.321506 0.359518 Zn\n0.428614 0.146693 0.919327 Zn\n0.245287 0.508901 0.431863 Zn\n0.167339 0.610376 0.635750 Zn\n0.992247 0.729707 0.800271 Zn\n0.393726 0.800997 0.844119 Zn\n0.459292 0.960095 0.434023 Zn\n0.671185 0.420333 0.331825 Zn\n0.463037 0.577592 0.343432 Zn\n0.363048 0.208145 0.309335 Zn\n0.233359 0.874779 0.108395 Zn\n0.080903 0.109903 0.000274 Zn\n0.942006 0.850069 0.165412 Zn\n0.930207 0.691010 0.372614 Zn\n0.834894 0.878675 0.883160 Zn\n0.295468 0.314479 0.560837 Zn\n0.086397 0.694439 0.105791 Zn\n0.383728 0.533563 0.599464 Zn\n0.458807 0.377283 0.433056 Zn\n0.408841 0.795963 0.275755 Zn\n0.517066 0.093048 0.177569 Zn\n0.866321 0.025869 0.286418 Zn\n0.760577 0.817856 0.286787 Zn\n0.633358 0.791105 0.928953 Zn\n0.715293 0.414482 0.729694 Zn\n0.544339 0.055086 0.735878 Zn\n0.356836 0.553076 0.035856 Zn\n0.089477 0.230159 0.603727 Zn\n0.662901 0.863149 0.733871 Zn\n0.253321 0.928930 0.518542 Zn\n0.696791 0.412878 0.970497 Zn\n0.812890 0.500414 0.493661 Zn\n0.338241 0.104170 0.662290 Zn\n0.509339 0.462074 0.770837 Zn\n0.055411 0.989602 0.411669 Zn\n0.034117 0.443929 0.519309 Zn\n0.254246 0.991185 0.872266 Zn\n0.865791 0.897187 0.464489 Zn\n0.847289 0.279643 0.853837 Zn\n0.729432 0.152539 0.676608 Zn\n0.347491 0.321658 0.791019 Zn\n0.576522 0.511396 0.149482 Zn\n0.903858 0.891344 0.679855 Zn\n0.538320 0.160799 0.459878 Zn\n0.448775 0.747834 0.065823 Zn\n0.660742 0.955969 0.548620 Zn\n0.913598 0.086603 0.578929 Zn\n0.656172 0.015915 0.943287 Zn\n0.652154 0.007986 0.339475 Zn\n0.307665 0.560570 0.811514 Zn\n0.101797 0.296390 0.143140 Zn\n0.112134 0.018598 0.676608 Zn\n0.156736 0.485994 0.082633 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.733494229205109,
"density_atomic": 0.061994603294552884,
"volume": 1613.0436309895128,
"volume_molar": 9.713975797840344,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -120.13688532,
"energy_per_atom": -1.2013688532,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.13688532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.488000Z",
"spacegroup": 1
},
{
"id": "mp-1245266",
"created_at": "2022-09-04T14:48:29.230725Z",
"structure_string": "Zn100\n1.0\n11.852147 0.555593 -0.003177\n0.556447 11.729898 0.317598\n-0.016631 0.314876 11.711352\nZn\n100\ndirect\n0.812849 0.710133 0.569504 Zn\n0.313446 0.180893 0.118243 Zn\n0.995821 0.326194 0.403270 Zn\n0.279716 0.538235 0.192813 Zn\n0.118034 0.166417 0.635176 Zn\n0.407350 0.891187 0.613374 Zn\n0.612214 0.925130 0.164087 Zn\n0.241120 0.155527 0.857167 Zn\n0.327120 0.399654 0.029587 Zn\n0.541314 0.800022 0.349265 Zn\n0.701477 0.207596 0.623670 Zn\n0.659752 0.297470 0.227333 Zn\n0.356496 0.639264 0.990679 Zn\n0.127040 0.188797 0.275026 Zn\n0.631146 0.143999 0.862158 Zn\n0.584857 0.720222 0.577557 Zn\n0.038753 0.278499 0.807362 Zn\n0.470359 0.057009 0.005127 Zn\n0.193607 0.004641 0.161964 Zn\n0.712535 0.632433 0.396301 Zn\n0.821238 0.228709 0.818443 Zn\n0.571096 0.591399 0.019764 Zn\n0.439617 0.358296 0.215027 Zn\n0.103156 0.853169 0.858245 Zn\n0.100242 0.762385 0.459317 Zn\n0.848060 0.439544 0.757793 Zn\n0.886325 0.258357 0.200740 Zn\n0.365216 0.675099 0.588174 Zn\n0.047547 0.502558 0.834055 Zn\n0.088242 0.397080 0.602173 Zn\n0.526713 0.508794 0.638922 Zn\n0.695466 0.138004 0.080595 Zn\n0.979140 0.051628 0.762777 Zn\n0.208700 0.807207 0.671687 Zn\n0.857362 0.476959 0.288588 Zn\n0.056063 0.394418 0.166752 Zn\n0.664537 0.576868 0.802429 Zn\n0.567304 0.348497 0.018180 Zn\n0.788263 0.667289 0.180675 Zn\n0.781684 0.267203 0.412624 Zn\n0.922171 0.332774 0.987543 Zn\n0.306102 0.843622 0.415428 Zn\n0.484218 0.284802 0.636824 Zn\n0.825296 0.883311 0.108293 Zn\n0.202320 0.766930 0.237316 Zn\n0.976105 0.041164 0.153482 Zn\n0.931594 0.572353 0.018128 Zn\n0.193596 0.395142 0.356438 Zn\n0.430451 0.251290 0.871685 Zn\n0.261472 0.602631 0.405722 Zn\n0.095878 0.612438 0.634894 Zn\n0.877232 0.648359 0.788255 Zn\n0.461337 0.722867 0.793858 Zn\n0.466039 0.001971 0.413170 Zn\n0.625146 0.418005 0.457362 Zn\n0.486144 0.599687 0.411264 Zn\n0.341742 0.199519 0.343418 Zn\n0.250435 0.839078 0.028726 Zn\n0.087717 0.059273 0.962904 Zn\n0.968433 0.807545 0.273025 Zn\n0.048351 0.603911 0.217426 Zn\n0.888763 0.846828 0.881698 Zn\n0.280453 0.267604 0.550755 Zn\n0.035596 0.787275 0.061742 Zn\n0.302073 0.470705 0.624380 Zn\n0.405465 0.399881 0.430512 Zn\n0.395662 0.918401 0.201872 Zn\n0.515300 0.128264 0.216311 Zn\n0.797866 0.069967 0.278220 Zn\n0.750459 0.841986 0.328371 Zn\n0.738451 0.704861 0.966339 Zn\n0.633698 0.360058 0.786193 Zn\n0.510396 0.949210 0.807804 Zn\n0.440302 0.684200 0.191632 Zn\n0.904762 0.276338 0.610890 Zn\n0.684977 0.800178 0.747833 Zn\n0.251210 0.056357 0.484111 Zn\n0.755605 0.450463 0.070899 Zn\n0.827418 0.483495 0.531614 Zn\n0.365797 0.104807 0.691350 Zn\n0.450988 0.486707 0.854817 Zn\n0.085554 0.974400 0.351902 Zn\n0.014997 0.562329 0.436405 Zn\n0.294971 0.935830 0.831144 Zn\n0.902435 0.890859 0.470032 Zn\n0.864538 0.058566 0.957591 Zn\n0.781785 0.991898 0.697803 Zn\n0.242936 0.384961 0.821261 Zn\n0.611821 0.522402 0.235355 Zn\n0.970945 0.809541 0.675890 Zn\n0.561106 0.203807 0.424284 Zn\n0.480866 0.824319 0.000505 Zn\n0.565458 0.039785 0.615027 Zn\n0.940598 0.113630 0.461671 Zn\n0.679882 0.929357 0.941069 Zn\n0.715799 0.020638 0.470104 Zn\n0.250424 0.616142 0.798739 Zn\n0.141995 0.283319 0.006625 Zn\n0.076375 0.969492 0.577697 Zn\n0.150131 0.582422 0.004598 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.690725740676654,
"density_atomic": 0.06160083812752724,
"volume": 1623.3545360694295,
"volume_molar": 9.776069519594602,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -120.74276352,
"energy_per_atom": -1.2074276352,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.74276352,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.304000Z",
"spacegroup": 1
},
{
"id": "mp-1187812",
"created_at": "2022-09-04T14:40:10.626770Z",
"structure_string": "Zn3\n1.0\n7.455517 -1.327022 0.000000\n7.455517 1.327022 0.000000\n7.219318 0.000000 2.286301\nZn\n3\ndirect\n0.000000 0.000000 0.000000 Zn\n0.221996 0.221996 0.221996 Zn\n0.778004 0.778004 0.778004 Zn\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 7.2025879821277154,
"density_atomic": 0.06631350223921316,
"volume": 45.23965555578831,
"volume_molar": 9.08131912302911,
"formula_full": "Zn3",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -3.74668138,
"energy_per_atom": -1.2488937933333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.74668138,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.328000Z",
"spacegroup": 166
}
]
}