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=formation_energy_per_atom&page=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=12148",
"results": [
{
"id": "mp-1209369",
"created_at": "2022-09-04T14:47:56.897391Z",
"structure_string": "Rb5 Dy3 I12\n1.0\n7.632233 -13.219416 0.000000\n7.632233 13.219416 0.000000\n0.000000 0.000000 4.582818\nRb Dy I\n5 3 12\ndirect\n0.333333 0.666667 0.000000 Rb\n0.666667 0.333333 0.000000 Rb\n0.717634 0.000000 0.000000 Rb\n0.000000 0.717634 0.000000 Rb\n0.282366 0.282366 0.000000 Rb\n0.322795 0.000000 0.500000 Dy\n0.000000 0.322795 0.500000 Dy\n0.677205 0.677205 0.500000 Dy\n0.182762 0.000000 0.000000 I\n0.000000 0.182762 0.000000 I\n0.817238 0.817238 0.000000 I\n0.459941 0.000000 0.000000 I\n0.000000 0.459941 0.000000 I\n0.540059 0.540059 0.000000 I\n0.233423 0.441382 0.500000 I\n0.558618 0.792041 0.500000 I\n0.441382 0.233423 0.500000 I\n0.207959 0.766577 0.500000 I\n0.792041 0.558618 0.500000 I\n0.766577 0.207959 0.500000 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Rb",
"Dy",
"I"
],
"chemical_system": "Dy-I-Rb",
"density": 4.37725198062759,
"density_atomic": 0.021627359533265635,
"volume": 924.754590093971,
"volume_molar": 27.845011550009975,
"formula_full": "Rb5 Dy3 I12",
"formula_reduced": "Rb5(DyI4)3",
"formula_anonymous": "A3B5C12",
"energy": -68.98517499,
"energy_per_atom": -3.4492587495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.43717499,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9443055,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.604000Z",
"spacegroup": 189
},
{
"id": "mp-1223329",
"created_at": "2022-09-04T14:47:56.901375Z",
"structure_string": "La2 B6 Rh9\n1.0\n-2.848685 -4.934068 0.000217\n-2.849060 4.934284 -0.000108\n0.000162 0.000281 -8.549441\nLa B Rh\n2 6 9\ndirect\n0.000011 0.000000 0.287452 La\n0.999996 0.000000 0.712692 La\n0.333380 0.666779 0.999998 B\n0.666601 0.333221 0.999998 B\n0.333376 0.666769 0.333422 B\n0.666607 0.333231 0.333422 B\n0.666610 0.333230 0.666535 B\n0.333380 0.666770 0.666535 B\n0.499954 0.000000 0.163366 Rh\n0.499962 0.499951 0.163348 Rh\n0.000011 0.500049 0.163348 Rh\n0.500004 0.000000 0.836623 Rh\n0.499998 0.500028 0.836586 Rh\n0.999970 0.499972 0.836586 Rh\n0.500010 0.000000 0.500003 Rh\n0.500022 0.500015 0.500043 Rh\n0.000007 0.499985 0.500043 Rh\n",
"nsites": 17,
"nelements": 3,
"elements": [
"La",
"B",
"Rh"
],
"chemical_system": "B-La-Rh",
"density": 8.765888735251076,
"density_atomic": 0.0707283550745676,
"volume": 240.35621897437338,
"volume_molar": 8.514464607088586,
"formula_full": "La2 B6 Rh9",
"formula_reduced": "La2(B2Rh3)3",
"formula_anonymous": "A2B6C9",
"energy": -127.15888929,
"energy_per_atom": -7.479934664117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.15888929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.194000Z",
"spacegroup": 191
},
{
"id": "mp-1248784",
"created_at": "2022-09-04T14:47:56.735477Z",
"structure_string": "Si2 Bi13 Sb2 O28\n1.0\n6.030716 -0.249089 1.060433\n1.471142 10.237967 0.356179\n-0.745263 0.024227 12.592640\nSi Bi Sb O\n2 13 2 28\ndirect\n0.262703 0.337906 0.994044 Si\n0.737303 0.660318 0.006565 Si\n0.086326 0.638350 0.565455 Bi\n0.663265 0.360683 0.151003 Bi\n0.328260 0.362640 0.669644 Bi\n0.915217 0.360184 0.434827 Bi\n0.337031 0.637572 0.849726 Bi\n0.289042 0.918342 0.458524 Bi\n0.207082 0.654327 0.139568 Bi\n0.000586 0.999018 0.000048 Bi\n0.453066 0.992734 0.150828 Bi\n0.793724 0.343905 0.860722 Bi\n0.673074 0.635935 0.330834 Bi\n0.547948 0.005609 0.849250 Bi\n0.712034 0.080256 0.541482 Bi\n0.907999 0.999568 0.280191 Sb\n0.093231 0.998889 0.719869 Sb\n0.655806 0.424868 0.311283 O\n0.202392 0.437429 0.524612 O\n0.992571 0.324137 0.002001 O\n0.419649 0.199222 0.985667 O\n0.799167 0.561033 0.475819 O\n0.345187 0.573695 0.689331 O\n0.043782 0.098565 0.582132 O\n0.957343 0.899839 0.417920 O\n0.579748 0.798785 0.014925 O\n0.097213 0.878626 0.163366 O\n0.312937 0.415783 0.101333 O\n0.023656 0.594250 0.273324 O\n0.240816 0.857394 0.627064 O\n0.784070 0.099509 0.153008 O\n0.676732 0.571304 0.115885 O\n0.007229 0.674566 0.998567 O\n0.217629 0.898788 0.846922 O\n0.904336 0.119716 0.836869 O\n0.760443 0.141162 0.372929 O\n0.201452 0.071513 0.278622 O\n0.799782 0.926921 0.721513 O\n0.323650 0.426914 0.884834 O\n0.359959 0.100568 0.724633 O\n0.673199 0.289208 0.556666 O\n0.687165 0.582290 0.899386 O\n0.641197 0.897949 0.275475 O\n0.977777 0.404337 0.727308 O\n0.328253 0.709322 0.443536 O\n",
"nsites": 45,
"nelements": 4,
"elements": [
"Si",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-O-Sb-Si",
"density": 7.27967416856378,
"density_atomic": 0.05694359679815217,
"volume": 790.2556657864692,
"volume_molar": 10.575624123896963,
"formula_full": "Si2 Bi13 Sb2 O28",
"formula_reduced": "Si2Bi13(SbO14)2",
"formula_anonymous": "A2B2C13D28",
"energy": -288.63050341,
"energy_per_atom": -6.41401118688889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -269.39450341,
"band_gap": 0.6391999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9969988,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.341000Z",
"spacegroup": 2
},
{
"id": "mp-1398595",
"created_at": "2022-09-04T14:47:57.118537Z",
"structure_string": "Y2 Ni4 O8\n1.0\n0.000000 4.389019 4.389019\n4.389019 0.000000 4.389019\n4.389019 4.389019 0.000000\nY Ni O\n2 4 8\ndirect\n0.750000 0.750000 0.750000 Y\n0.500000 0.500000 0.500000 Y\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.891513 0.325462 0.891513 O\n0.924538 0.358487 0.358487 O\n0.358487 0.358487 0.924538 O\n0.358487 0.358487 0.358487 O\n0.325462 0.891513 0.891513 O\n0.358487 0.924538 0.358487 O\n0.891513 0.891513 0.325462 O\n0.891513 0.891513 0.891513 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Ni",
"O"
],
"chemical_system": "Ni-O-Y",
"density": 5.308564454036807,
"density_atomic": 0.08279338848054264,
"volume": 169.0956277661006,
"volume_molar": 7.273697659343016,
"formula_full": "Y2 Ni4 O8",
"formula_reduced": "Y(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -103.41033956,
"energy_per_atom": -7.386452825714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.75033956,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.949000Z",
"spacegroup": 227
},
{
"id": "mp-768283",
"created_at": "2022-09-04T14:47:57.129157Z",
"structure_string": "U2 As4 H12 O22\n1.0\n4.555731 6.680440 0.000000\n-4.555731 6.680440 0.000000\n0.000000 5.121718 7.526773\nU As H O\n2 4 12 22\ndirect\n0.657913 0.342087 0.750000 U\n0.342087 0.657913 0.250000 U\n0.810777 0.812057 0.442498 As\n0.812057 0.810777 0.942498 As\n0.187943 0.189223 0.057502 As\n0.189223 0.187943 0.557502 As\n0.342032 0.684624 0.825269 H\n0.001365 0.790718 0.082107 H\n0.315376 0.657968 0.674731 H\n0.639834 0.838911 0.281975 H\n0.161089 0.360166 0.218025 H\n0.209282 0.998635 0.417893 H\n0.790718 0.001365 0.582107 H\n0.838911 0.639834 0.781975 H\n0.360166 0.161089 0.718025 H\n0.684624 0.342032 0.325269 H\n0.998635 0.209282 0.917893 H\n0.657968 0.315376 0.174731 H\n0.258916 0.985742 0.212511 O\n0.762430 0.637551 0.648854 O\n0.388544 0.701310 0.021727 O\n0.014258 0.741084 0.287489 O\n0.625825 0.900596 0.363162 O\n0.010389 0.832830 0.956697 O\n0.390298 0.609702 0.750000 O\n0.167170 0.989611 0.543303 O\n0.701310 0.388544 0.521727 O\n0.099404 0.374175 0.136838 O\n0.637551 0.762430 0.148854 O\n0.362449 0.237570 0.851146 O\n0.900596 0.625825 0.863162 O\n0.298690 0.611456 0.478273 O\n0.832830 0.010389 0.456697 O\n0.609702 0.390298 0.250000 O\n0.989611 0.167170 0.043303 O\n0.374175 0.099404 0.636838 O\n0.985742 0.258916 0.712511 O\n0.611456 0.298690 0.978273 O\n0.237570 0.362449 0.351146 O\n0.741084 0.014258 0.787489 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"U",
"As",
"H",
"O"
],
"chemical_system": "As-H-O-U",
"density": 4.131291282894024,
"density_atomic": 0.08730880357733987,
"volume": 458.1439483885174,
"volume_molar": 6.897518363844568,
"formula_full": "U2 As4 H12 O22",
"formula_reduced": "UAs2H6O11",
"formula_anonymous": "AB2C6D11",
"energy": -265.03573862,
"energy_per_atom": -6.625893465500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.92173862,
"band_gap": 2.035,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00025,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:21.912000Z",
"spacegroup": 15
},
{
"id": "mp-1228294",
"created_at": "2022-09-04T14:47:57.156999Z",
"structure_string": "Ca4 Al5 Fe1 Si6 H2 O26\n1.0\n5.680030 0.000000 0.000000\n0.000000 8.976313 0.000000\n0.000000 4.388349 9.279069\nCa Al Fe Si H O\n4 5 1 6 2 26\ndirect\n0.500000 0.239811 0.156650 Ca\n0.000000 0.759284 0.846382 Ca\n0.500000 0.390591 0.423011 Ca\n0.000000 0.607983 0.578069 Ca\n0.750149 0.996532 0.001665 Al\n0.249851 0.996532 0.001665 Al\n0.750561 0.000929 0.499560 Al\n0.249439 0.000929 0.499560 Al\n0.000000 0.710911 0.225494 Al\n0.500000 0.290668 0.779152 Fe\n0.000000 0.322406 0.273930 Si\n0.500000 0.685574 0.724531 Si\n0.500000 0.816907 0.315824 Si\n0.000000 0.181385 0.683042 Si\n0.500000 0.660627 0.048799 Si\n0.000000 0.337249 0.953027 Si\n0.000000 0.939477 0.325916 H\n0.500000 0.061330 0.673308 H\n0.500000 0.482346 0.179938 O\n0.000000 0.514844 0.820953 O\n0.737269 0.700627 0.349614 O\n0.231535 0.302326 0.643592 O\n0.768465 0.302326 0.643592 O\n0.262731 0.700627 0.349614 O\n0.746877 0.763219 0.045156 O\n0.244114 0.230785 0.959987 O\n0.755886 0.230785 0.959987 O\n0.253123 0.763219 0.045156 O\n0.000000 0.939796 0.131946 O\n0.500000 0.046221 0.872283 O\n0.000000 0.365834 0.101143 O\n0.500000 0.633068 0.899248 O\n0.000000 0.490382 0.294743 O\n0.500000 0.525534 0.691530 O\n0.500000 0.960346 0.144074 O\n0.000000 0.039833 0.856096 O\n0.500000 0.936688 0.403420 O\n0.000000 0.061697 0.596699 O\n0.000000 0.919224 0.427742 O\n0.500000 0.081875 0.571243 O\n0.765002 0.210379 0.343761 O\n0.262285 0.794260 0.657568 O\n0.737715 0.794260 0.657568 O\n0.234998 0.210379 0.343761 O\n",
"nsites": 44,
"nelements": 6,
"elements": [
"Ca",
"Al",
"Fe",
"Si",
"H",
"O"
],
"chemical_system": "Al-Ca-Fe-H-O-Si",
"density": 3.290815025838948,
"density_atomic": 0.09300357758439425,
"volume": 473.1000800487817,
"volume_molar": 6.47517108095689,
"formula_full": "Ca4 Al5 Fe1 Si6 H2 O26",
"formula_reduced": "Ca4Al5FeSi6(HO13)2",
"formula_anonymous": "AB2C4D5E6F26",
"energy": -342.92233763,
"energy_per_atom": -7.79368949159091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -322.80433763,
"band_gap": 2.714,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0008,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.357000Z",
"spacegroup": 6
},
{
"id": "mp-505001",
"created_at": "2022-09-04T14:47:57.161205Z",
"structure_string": "Rb12 Zn4 Br20\n1.0\n9.279413 0.000000 0.000000\n0.000000 10.670238 0.000000\n0.000000 0.000000 13.777032\nRb Zn Br\n12 4 20\ndirect\n0.911389 0.021094 0.671522 Rb\n0.588611 0.978906 0.171522 Rb\n0.588611 0.521094 0.171522 Rb\n0.088611 0.521094 0.328478 Rb\n0.088611 0.978906 0.328478 Rb\n0.411389 0.021094 0.828478 Rb\n0.588214 0.750000 0.454025 Rb\n0.911786 0.250000 0.954025 Rb\n0.088214 0.750000 0.045975 Rb\n0.411786 0.250000 0.545975 Rb\n0.411389 0.478906 0.828478 Rb\n0.911389 0.478906 0.671522 Rb\n0.690224 0.750000 0.891189 Zn\n0.309776 0.250000 0.108811 Zn\n0.190224 0.750000 0.608811 Zn\n0.809776 0.250000 0.391189 Zn\n0.660735 0.250000 0.734161 Br\n0.314153 0.558254 0.564402 Br\n0.864717 0.250000 0.219039 Br\n0.839265 0.750000 0.234161 Br\n0.635283 0.750000 0.719039 Br\n0.685847 0.441746 0.435598 Br\n0.814153 0.558254 0.935598 Br\n0.534187 0.250000 0.014259 Br\n0.965813 0.750000 0.514259 Br\n0.160735 0.250000 0.765839 Br\n0.814153 0.941746 0.935598 Br\n0.314153 0.941746 0.564402 Br\n0.339265 0.750000 0.265839 Br\n0.185847 0.058254 0.064402 Br\n0.685847 0.058254 0.435598 Br\n0.135283 0.750000 0.780961 Br\n0.364717 0.250000 0.280961 Br\n0.034187 0.250000 0.485741 Br\n0.185847 0.441746 0.064402 Br\n0.465813 0.750000 0.985741 Br\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Zn",
"Br"
],
"chemical_system": "Br-Rb-Zn",
"density": 3.5123214064622372,
"density_atomic": 0.02639077978508619,
"volume": 1364.112780795667,
"volume_molar": 22.8191088290737,
"formula_full": "Rb12 Zn4 Br20",
"formula_reduced": "Rb3ZnBr5",
"formula_anonymous": "AB3C5",
"energy": -114.53332378,
"energy_per_atom": -3.181481216111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.85332377999998,
"band_gap": 3.6019,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000924,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.793000Z",
"spacegroup": 62
},
{
"id": "mp-723285",
"created_at": "2022-09-04T14:47:57.169127Z",
"structure_string": "O8\n1.0\n4.262510 0.000000 0.000000\n0.000000 4.262510 0.000000\n0.000000 0.000000 8.980318\nO\n8\ndirect\n0.547471 0.363461 0.529930 O\n0.452529 0.636539 0.029930 O\n0.863461 0.952529 0.279930 O\n0.136539 0.047471 0.779930 O\n0.636539 0.452529 0.970070 O\n0.363461 0.547471 0.470070 O\n0.952529 0.863461 0.720070 O\n0.047471 0.136539 0.220070 O\n",
"nsites": 8,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 1.3026275029235828,
"density_atomic": 0.049030627293298844,
"volume": 163.16332141019504,
"volume_molar": 12.282406105016452,
"formula_full": "O8",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -39.57350969,
"energy_per_atom": -4.94668871125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.57350969,
"band_gap": 1.4592,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0010318,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.023000Z",
"spacegroup": 92
},
{
"id": "mp-1352271",
"created_at": "2022-09-04T14:47:56.710953Z",
"structure_string": "Li8 V12 Cu4 O32\n1.0\n8.608162 0.000000 0.000000\n0.000000 8.608162 0.000000\n0.000000 0.000000 8.079286\nLi V Cu O\n8 12 4 32\ndirect\n0.503268 0.755883 0.002518 Li\n0.750420 0.004132 0.248465 Li\n0.249580 0.995868 0.748465 Li\n0.496732 0.244117 0.502518 Li\n0.004132 0.249580 0.998465 Li\n0.755883 0.496732 0.752518 Li\n0.244117 0.503268 0.252518 Li\n0.995868 0.750420 0.498465 Li\n0.633352 0.876939 0.620412 V\n0.878602 0.875941 0.881074 V\n0.124059 0.878602 0.131074 V\n0.875941 0.121398 0.631074 V\n0.121398 0.124059 0.381074 V\n0.366648 0.123061 0.120412 V\n0.876939 0.366648 0.370412 V\n0.620125 0.368108 0.120111 V\n0.368108 0.379875 0.870111 V\n0.631892 0.620125 0.370111 V\n0.379875 0.631892 0.620111 V\n0.123061 0.633352 0.870412 V\n0.384607 0.884917 0.375092 Cu\n0.615393 0.115083 0.875092 Cu\n0.115083 0.384607 0.625092 Cu\n0.884917 0.615393 0.125092 Cu\n0.642004 0.850957 0.392538 O\n0.403750 0.863103 0.622547 O\n0.113753 0.867370 0.889106 O\n0.650138 0.878433 0.859624 O\n0.891256 0.887026 0.102841 O\n0.867370 0.886247 0.639106 O\n0.112974 0.891256 0.352841 O\n0.357725 0.897734 0.129639 O\n0.642275 0.102266 0.629639 O\n0.887026 0.108744 0.852841 O\n0.132630 0.113753 0.139106 O\n0.108744 0.112974 0.602841 O\n0.349862 0.121567 0.359624 O\n0.886247 0.132630 0.389106 O\n0.596250 0.136897 0.122547 O\n0.357996 0.149043 0.892538 O\n0.878433 0.349862 0.609624 O\n0.102266 0.357725 0.379639 O\n0.387085 0.367552 0.112914 O\n0.850957 0.357996 0.142538 O\n0.606981 0.371838 0.893785 O\n0.632448 0.387085 0.362914 O\n0.371838 0.393019 0.643785 O\n0.136897 0.403750 0.872547 O\n0.863103 0.596250 0.372547 O\n0.628162 0.606981 0.143785 O\n0.367552 0.612915 0.862914 O\n0.393019 0.628162 0.393785 O\n0.149043 0.642004 0.642538 O\n0.612915 0.632448 0.612914 O\n0.897734 0.642275 0.879639 O\n0.121567 0.650138 0.109624 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-Li-O-V",
"density": 3.9746478305603774,
"density_atomic": 0.09353931428301965,
"volume": 598.6787526639564,
"volume_molar": 6.438085211720662,
"formula_full": "Li8 V12 Cu4 O32",
"formula_reduced": "Li2V3CuO8",
"formula_anonymous": "AB2C3D8",
"energy": -421.14514324,
"energy_per_atom": -7.520448986428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -378.76114324,
"band_gap": 0.0705,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1201966,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.529000Z",
"spacegroup": 76
},
{
"id": "mp-1205356",
"created_at": "2022-09-04T14:47:56.770618Z",
"structure_string": "Zn2 W2 O8\n1.0\n-2.512538 2.512538 5.439347\n2.512538 -2.512538 5.439347\n2.512538 2.512538 -5.439347\nZn W O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.750000 0.250000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.847639 0.410118 0.936269 O\n0.473849 0.911370 0.063731 O\n0.902361 0.839882 0.563731 O\n0.276151 0.338630 0.436269 O\n0.088630 0.152361 0.562479 O\n0.589882 0.526151 0.437521 O\n0.661370 0.097639 0.937521 O\n0.160118 0.723849 0.062479 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"W",
"O"
],
"chemical_system": "O-W-Zn",
"density": 7.574141681319216,
"density_atomic": 0.0873673598184627,
"volume": 137.3510659465313,
"volume_molar": 6.892895438883784,
"formula_full": "Zn2 W2 O8",
"formula_reduced": "ZnWO4",
"formula_anonymous": "ABC4",
"energy": -90.49310401,
"energy_per_atom": -7.541092000833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.12110401,
"band_gap": 2.4802,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001153,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.766000Z",
"spacegroup": 88
},
{
"id": "mp-1184443",
"created_at": "2022-09-04T14:47:56.782078Z",
"structure_string": "Eu6 Tm2\n1.0\n3.825234 -6.625501 0.000000\n3.825234 6.625501 0.000000\n0.000000 0.000000 6.114625\nEu Tm\n6 2\ndirect\n0.170019 0.340037 0.250000 Eu\n0.659963 0.829981 0.250000 Eu\n0.170019 0.829981 0.250000 Eu\n0.829981 0.659963 0.750000 Eu\n0.340037 0.170019 0.750000 Eu\n0.829981 0.170019 0.750000 Eu\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"Tm"
],
"chemical_system": "Eu-Tm",
"density": 6.695172601431255,
"density_atomic": 0.025811511224695827,
"volume": 309.9392333272526,
"volume_molar": 23.33122112678998,
"formula_full": "Eu6 Tm2",
"formula_reduced": "Eu3Tm",
"formula_anonymous": "AB3",
"energy": -69.82585659,
"energy_per_atom": -8.72823207375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.82585659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.0446837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.939000Z",
"spacegroup": 194
},
{
"id": "mp-574235",
"created_at": "2022-09-04T14:47:56.783992Z",
"structure_string": "Yb1 Ni2 Ge2\n1.0\n-2.020085 2.020085 4.962878\n2.020085 -2.020085 4.962878\n2.020085 2.020085 -4.962878\nYb Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.371269 0.371269 0.000000 Ge\n0.628731 0.628731 0.000000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ni",
"Ge"
],
"chemical_system": "Ge-Ni-Yb",
"density": 8.931215266026246,
"density_atomic": 0.06172159294789279,
"volume": 81.00892671744796,
"volume_molar": 9.756943190179928,
"formula_full": "Yb1 Ni2 Ge2",
"formula_reduced": "Yb(NiGe)2",
"formula_anonymous": "AB2C2",
"energy": -25.47075166,
"energy_per_atom": -5.094150332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.47075166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.009575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.650000Z",
"spacegroup": 139
}
]
}