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_stable&page=25",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=23",
"results": [
{
"id": "mp-1195012",
"created_at": "2022-09-04T14:42:07.309717Z",
"structure_string": "Yb4 H48 C12 N36\n1.0\n-6.991336 6.991336 6.991336\n6.991336 -6.991336 6.991336\n6.991336 6.991336 -6.991336\nYb H C N\n4 48 12 36\ndirect\n0.500000 0.000000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.426670 0.206119 0.373968 H\n0.167850 0.793881 0.220551 H\n0.832150 0.052702 0.626032 H\n0.573330 0.947298 0.779449 H\n0.373968 0.426670 0.206119 H\n0.220551 0.167850 0.793881 H\n0.626032 0.832150 0.052702 H\n0.779449 0.573330 0.947298 H\n0.206119 0.373968 0.426670 H\n0.793881 0.220551 0.167850 H\n0.052702 0.626032 0.832150 H\n0.947298 0.779449 0.573330 H\n0.573330 0.793881 0.626032 H\n0.832150 0.206119 0.779449 H\n0.167850 0.947298 0.373968 H\n0.426670 0.052702 0.220551 H\n0.626032 0.573330 0.793881 H\n0.779449 0.832150 0.206119 H\n0.373968 0.167850 0.947298 H\n0.220551 0.426670 0.052702 H\n0.793881 0.626032 0.573330 H\n0.206119 0.779449 0.832150 H\n0.947298 0.373968 0.167850 H\n0.052702 0.220551 0.426670 H\n0.638100 0.437041 0.326261 H\n0.889220 0.562959 0.201059 H\n0.110780 0.311840 0.673739 H\n0.361900 0.688160 0.798941 H\n0.326261 0.638100 0.437041 H\n0.201059 0.889220 0.562959 H\n0.673739 0.110780 0.311840 H\n0.798941 0.361900 0.688160 H\n0.437041 0.326261 0.638100 H\n0.562959 0.201059 0.889220 H\n0.311840 0.673739 0.110780 H\n0.688160 0.798941 0.361900 H\n0.361900 0.562959 0.673739 H\n0.110780 0.437041 0.798941 H\n0.889220 0.688160 0.326261 H\n0.638100 0.311840 0.201059 H\n0.673739 0.361900 0.562959 H\n0.798941 0.110780 0.437041 H\n0.326261 0.889220 0.688160 H\n0.201059 0.638100 0.311840 H\n0.562959 0.673739 0.361900 H\n0.437041 0.798941 0.110780 H\n0.688160 0.326261 0.889220 H\n0.311840 0.201059 0.638100 H\n0.520230 0.243313 0.276917 C\n0.033604 0.756687 0.276917 C\n0.966396 0.243313 0.723083 C\n0.479770 0.756687 0.723083 C\n0.276917 0.520230 0.243313 C\n0.276917 0.033604 0.756687 C\n0.723083 0.966396 0.243313 C\n0.723083 0.479770 0.756687 C\n0.243313 0.276917 0.520230 C\n0.756687 0.276917 0.033605 C\n0.243313 0.723083 0.966395 C\n0.756687 0.723083 0.479770 C\n0.490519 0.287526 0.374771 N\n0.087245 0.712474 0.202993 N\n0.912755 0.115748 0.625229 N\n0.509481 0.884252 0.797007 N\n0.374771 0.490519 0.287526 N\n0.202993 0.087245 0.712474 N\n0.625229 0.912755 0.115748 N\n0.797007 0.509481 0.884252 N\n0.287526 0.374771 0.490519 N\n0.712474 0.202993 0.087245 N\n0.115748 0.625229 0.912755 N\n0.884252 0.797007 0.509481 N\n0.509481 0.712474 0.625229 N\n0.912755 0.287526 0.797007 N\n0.087245 0.884252 0.374771 N\n0.490519 0.115748 0.202993 N\n0.625229 0.509481 0.712474 N\n0.797007 0.912755 0.287526 N\n0.374771 0.087245 0.884252 N\n0.202993 0.490519 0.115748 N\n0.712474 0.625229 0.509481 N\n0.287526 0.797007 0.912755 N\n0.884252 0.374771 0.087245 N\n0.115748 0.202993 0.490519 N\n0.589992 0.338579 0.251413 N\n0.912835 0.661421 0.251413 N\n0.087165 0.338579 0.748587 N\n0.410008 0.661421 0.748587 N\n0.251413 0.589992 0.338579 N\n0.251413 0.912835 0.661421 N\n0.748587 0.087165 0.338579 N\n0.748587 0.410008 0.661421 N\n0.338579 0.251413 0.589992 N\n0.661421 0.251413 0.912835 N\n0.338579 0.748587 0.087165 N\n0.661421 0.748587 0.410008 N\n",
"nsites": 100,
"nelements": 4,
"elements": [
"Yb",
"H",
"C",
"N"
],
"chemical_system": "C-H-N-Yb",
"density": 1.6872635023248945,
"density_atomic": 0.07315760593828886,
"volume": 1366.9118708498154,
"volume_molar": 8.23173569277253,
"formula_full": "Yb4 H48 C12 N36",
"formula_reduced": "YbH12(CN3)3",
"formula_anonymous": "AB3C9D12",
"energy": -620.92933964,
"energy_per_atom": -6.2092933964,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -607.93333964,
"band_gap": 0.0401,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.0569413,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.993000Z",
"spacegroup": 204
},
{
"id": "mp-1211999",
"created_at": "2022-09-04T14:42:07.385775Z",
"structure_string": "K8 Hf4 O12\n1.0\n-2.939898 -5.092053 0.000000\n-2.939898 5.092053 0.000000\n0.000000 0.000000 -12.492450\nK Hf O\n8 4 12\ndirect\n0.686283 0.686283 0.750000 K\n0.313717 0.313717 0.250000 K\n0.000000 0.313717 0.750000 K\n0.000000 0.686283 0.250000 K\n0.313717 0.000000 0.750000 K\n0.686283 0.000000 0.250000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.000000 Hf\n0.333333 0.666667 0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.666667 0.333333 0.500000 Hf\n0.400464 0.400464 0.906456 O\n0.599536 0.599536 0.093544 O\n0.000000 0.599536 0.906456 O\n0.599536 0.599536 0.406456 O\n0.000000 0.599536 0.593544 O\n0.000000 0.400464 0.093544 O\n0.400464 0.400464 0.593544 O\n0.000000 0.400464 0.406456 O\n0.599536 0.000000 0.906456 O\n0.400464 0.000000 0.093544 O\n0.400464 0.000000 0.406456 O\n0.599536 0.000000 0.593544 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"Hf",
"O"
],
"chemical_system": "Hf-K-O",
"density": 5.410745214230947,
"density_atomic": 0.06416651432796558,
"volume": 374.026862006748,
"volume_molar": 9.38517671260722,
"formula_full": "K8 Hf4 O12",
"formula_reduced": "K2HfO3",
"formula_anonymous": "AB2C3",
"energy": -176.49748906,
"energy_per_atom": -7.354062044166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.25348906,
"band_gap": 3.995200000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0061003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.150000Z",
"spacegroup": 193
},
{
"id": "mp-766292",
"created_at": "2022-09-04T14:42:07.267395Z",
"structure_string": "Dy2 Y14 O24\n1.0\n-5.351510 5.351964 5.352788\n5.351510 -5.351964 5.352788\n5.351510 5.351964 -5.352788\nDy Y O\n2 14 24\ndirect\n0.282758 0.032758 0.250000 Dy\n0.217242 0.467242 0.750000 Dy\n0.782668 0.532668 0.250000 Y\n0.000029 0.500075 0.999979 Y\n0.250000 0.782685 0.532685 Y\n0.750000 0.717315 0.967315 Y\n0.967408 0.250000 0.217408 Y\n0.467257 0.250000 0.717257 Y\n0.499971 0.499950 0.500046 Y\n0.499904 0.999925 0.999954 Y\n0.000096 0.000050 0.500021 Y\n0.717332 0.967332 0.750000 Y\n0.532592 0.750000 0.282592 Y\n0.032743 0.750000 0.782743 Y\n0.750000 0.217385 0.467385 Y\n0.250000 0.282615 0.032615 Y\n0.511120 0.042741 0.771978 O\n0.729237 0.457259 0.968380 O\n0.957555 0.468430 0.729251 O\n0.760803 0.771977 0.229220 O\n0.542445 0.271696 0.510875 O\n0.739197 0.968418 0.011175 O\n0.770763 0.739143 0.728022 O\n0.988880 0.760857 0.531620 O\n0.228072 0.988874 0.456931 O\n0.968414 0.229236 0.957292 O\n0.728056 0.270764 0.239179 O\n0.468056 0.511126 0.739198 O\n0.531586 0.488878 0.260821 O\n0.771944 0.011122 0.542708 O\n0.271928 0.728859 0.760802 O\n0.031944 0.771141 0.043069 O\n0.011546 0.239674 0.468994 O\n0.229321 0.260326 0.271872 O\n0.457243 0.728023 0.488825 O\n0.260821 0.031570 0.989125 O\n0.042757 0.531582 0.270780 O\n0.239179 0.228304 0.770749 O\n0.488454 0.957448 0.228128 O\n0.270679 0.542552 0.031006 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Dy",
"Y",
"O"
],
"chemical_system": "Dy-O-Y",
"density": 5.2901768415529276,
"density_atomic": 0.06522745471505965,
"volume": 613.2387071477256,
"volume_molar": 9.232524534810054,
"formula_full": "Dy2 Y14 O24",
"formula_reduced": "DyY7O12",
"formula_anonymous": "AB7C12",
"energy": -377.50167191,
"energy_per_atom": -9.43754179775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -361.01367191,
"band_gap": 4.0298,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.498000Z",
"spacegroup": 24
},
{
"id": "mp-697794",
"created_at": "2022-09-04T14:42:07.268544Z",
"structure_string": "Mn4 P6 O20\n1.0\n4.491557 6.890512 0.000000\n-4.491557 6.890512 0.000000\n0.000000 5.275048 7.897872\nMn P O\n4 6 20\ndirect\n0.300068 0.261914 0.033974 Mn\n0.261914 0.300068 0.533974 Mn\n0.738086 0.699932 0.466026 Mn\n0.699932 0.738086 0.966026 Mn\n0.083911 0.916089 0.250000 P\n0.845438 0.433914 0.799542 P\n0.154562 0.566086 0.200458 P\n0.916089 0.083911 0.750000 P\n0.433914 0.845438 0.299542 P\n0.566086 0.154562 0.700458 P\n0.556261 0.950869 0.816171 O\n0.895187 0.888687 0.871785 O\n0.562466 0.700845 0.209993 O\n0.700845 0.562466 0.709993 O\n0.170540 0.782594 0.137209 O\n0.209395 0.526441 0.040431 O\n0.950869 0.556261 0.316171 O\n0.473559 0.790605 0.459569 O\n0.888687 0.895187 0.371785 O\n0.299155 0.437534 0.290007 O\n0.790605 0.473559 0.959569 O\n0.437534 0.299155 0.790007 O\n0.104813 0.111313 0.128215 O\n0.217406 0.829460 0.362791 O\n0.443739 0.049131 0.183829 O\n0.049131 0.443739 0.683829 O\n0.111313 0.104813 0.628215 O\n0.526441 0.209395 0.540431 O\n0.829460 0.217406 0.862791 O\n0.782594 0.170540 0.637209 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.464606289985461,
"density_atomic": 0.061366698535040315,
"volume": 488.8644935472622,
"volume_molar": 9.81336930902575,
"formula_full": "Mn4 P6 O20",
"formula_reduced": "Mn2P3O10",
"formula_anonymous": "A2B3C10",
"energy": -241.71792738,
"energy_per_atom": -8.057264245999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.30592738,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0024789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.989000Z",
"spacegroup": 15
},
{
"id": "mp-1021431",
"created_at": "2022-09-04T14:42:07.269891Z",
"structure_string": "Cs1 Na1 I1 Cl1\n1.0\n4.767827 0.000000 0.000000\n0.000000 4.767827 0.000000\n0.000000 0.000000 7.577568\nCs Na I Cl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 I\n0.000000 0.000000 0.500000 Cl\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Cs",
"Na",
"I",
"Cl"
],
"chemical_system": "Cl-Cs-I-Na",
"density": 3.0679647295721932,
"density_atomic": 0.023221441284383987,
"volume": 172.2545965607195,
"volume_molar": 25.93353567614162,
"formula_full": "Cs1 Na1 I1 Cl1",
"formula_reduced": "CsNaICl",
"formula_anonymous": "ABCD",
"energy": -12.7051829,
"energy_per_atom": -3.176295725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.7121829,
"band_gap": 3.512,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.589000Z",
"spacegroup": 123
},
{
"id": "mp-1222123",
"created_at": "2022-09-04T14:42:07.272985Z",
"structure_string": "Mg2 Zn1 O3\n1.0\n1.516499 -2.626654 0.000000\n1.516499 2.626654 0.000000\n0.000000 0.000000 7.403316\nMg Zn O\n2 1 3\ndirect\n0.333333 0.666667 0.665800 Mg\n0.666667 0.333333 0.334200 Mg\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.172619 O\n0.666667 0.333333 0.827381 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"O"
],
"chemical_system": "Mg-O-Zn",
"density": 4.56151324709191,
"density_atomic": 0.10173021702171824,
"volume": 58.97952619838674,
"volume_molar": 5.919716812079877,
"formula_full": "Mg2 Zn1 O3",
"formula_reduced": "Mg2ZnO3",
"formula_anonymous": "AB2C3",
"energy": -34.81557134,
"energy_per_atom": -5.802595223333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.75457134,
"band_gap": 2.8856999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.907000Z",
"spacegroup": 164
},
{
"id": "mp-1232030",
"created_at": "2022-09-04T14:42:07.274317Z",
"structure_string": "Y4 Mg2 S8\n1.0\n-4.102850 4.102850 4.267317\n4.102850 -4.102850 4.267317\n4.102850 4.102850 -4.267317\nY Mg S\n4 2 8\ndirect\n0.875000 0.757623 0.382623 Y\n0.507623 0.125000 0.882623 Y\n0.375000 0.492377 0.617377 Y\n0.242377 0.625000 0.117377 Y\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.508102 0.378521 0.262148 S\n0.754046 0.491898 0.870419 S\n0.116373 0.245954 0.737852 S\n0.621479 0.883627 0.129581 S\n0.241898 0.004046 0.370419 S\n0.995954 0.366373 0.237852 S\n0.633627 0.871479 0.629581 S\n0.128521 0.758102 0.762148 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"S"
],
"chemical_system": "Mg-S-Y",
"density": 3.818583818411381,
"density_atomic": 0.04872387939704886,
"volume": 287.33344251828936,
"volume_molar": 12.359731685003622,
"formula_full": "Y4 Mg2 S8",
"formula_reduced": "Y2MgS4",
"formula_anonymous": "AB2C4",
"energy": -91.50515246,
"energy_per_atom": -6.536082318571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.48115246,
"band_gap": 2.308,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.277000Z",
"spacegroup": 122
},
{
"id": "mp-1208028",
"created_at": "2022-09-04T14:42:07.282292Z",
"structure_string": "Tm16 Mg4 Ge16\n1.0\n7.145131 0.000000 0.000000\n0.000000 7.684206 0.000000\n0.000000 0.000000 14.380976\nTm Mg Ge\n16 4 16\ndirect\n0.008509 0.182566 0.094185 Tm\n0.991491 0.817434 0.905815 Tm\n0.491491 0.682566 0.905815 Tm\n0.991491 0.817434 0.594185 Tm\n0.508509 0.317434 0.094185 Tm\n0.008509 0.182566 0.405815 Tm\n0.508509 0.317434 0.405815 Tm\n0.491491 0.682566 0.594185 Tm\n0.331427 0.176792 0.626509 Tm\n0.668573 0.823208 0.373491 Tm\n0.168573 0.676792 0.373491 Tm\n0.668573 0.823208 0.126509 Tm\n0.831427 0.323208 0.626509 Tm\n0.331427 0.176792 0.873491 Tm\n0.831427 0.323208 0.873491 Tm\n0.168573 0.676792 0.126509 Tm\n0.161671 0.515358 0.750000 Mg\n0.838329 0.484642 0.250000 Mg\n0.338329 0.015358 0.250000 Mg\n0.661671 0.984642 0.750000 Mg\n0.172948 0.465645 0.536365 Ge\n0.827052 0.534355 0.463635 Ge\n0.327052 0.965645 0.463635 Ge\n0.827052 0.534355 0.036365 Ge\n0.672948 0.034355 0.536365 Ge\n0.172948 0.465645 0.963635 Ge\n0.672948 0.034355 0.963635 Ge\n0.327052 0.965645 0.036365 Ge\n0.025328 0.091752 0.750000 Ge\n0.974672 0.908248 0.250000 Ge\n0.474672 0.591752 0.250000 Ge\n0.525328 0.408248 0.750000 Ge\n0.289634 0.860754 0.750000 Ge\n0.710366 0.139246 0.250000 Ge\n0.210366 0.360754 0.250000 Ge\n0.789634 0.639246 0.750000 Ge\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Ge"
],
"chemical_system": "Ge-Mg-Tm",
"density": 8.333178083545716,
"density_atomic": 0.04559371126661903,
"volume": 789.5825761908756,
"volume_molar": 13.208270598513547,
"formula_full": "Tm16 Mg4 Ge16",
"formula_reduced": "Tm4MgGe4",
"formula_anonymous": "AB4C4",
"energy": -180.15795609,
"energy_per_atom": -5.004387669166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.15795609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.795000Z",
"spacegroup": 62
},
{
"id": "mp-1189706",
"created_at": "2022-09-04T14:42:07.287368Z",
"structure_string": "Cd4 Tc4 O12\n1.0\n5.457801 0.000000 0.000000\n0.000000 5.548414 0.000000\n0.000000 0.000000 7.891164\nCd Tc O\n4 4 12\ndirect\n0.507897 0.545410 0.250000 Cd\n0.992103 0.045410 0.250000 Cd\n0.492103 0.454590 0.750000 Cd\n0.007897 0.954590 0.750000 Cd\n0.000000 0.500000 0.000000 Tc\n0.500000 0.000000 0.500000 Tc\n0.000000 0.500000 0.500000 Tc\n0.500000 0.000000 0.000000 Tc\n0.806535 0.804545 0.053789 O\n0.693465 0.304545 0.446211 O\n0.193465 0.195455 0.553789 O\n0.306535 0.695455 0.946211 O\n0.193465 0.195455 0.946211 O\n0.306535 0.695455 0.553789 O\n0.806535 0.804545 0.446211 O\n0.693465 0.304545 0.053789 O\n0.399014 0.956636 0.250000 O\n0.100986 0.456636 0.250000 O\n0.600986 0.043364 0.750000 O\n0.899014 0.543364 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Cd",
"Tc",
"O"
],
"chemical_system": "Cd-O-Tc",
"density": 7.18272824752602,
"density_atomic": 0.0836955506274118,
"volume": 238.9613288887264,
"volume_molar": 7.195293793822824,
"formula_full": "Cd4 Tc4 O12",
"formula_reduced": "CdTcO3",
"formula_anonymous": "ABC3",
"energy": -135.7094995,
"energy_per_atom": -6.785474975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.4654995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7481544,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.873000Z",
"spacegroup": 62
},
{
"id": "mp-4997",
"created_at": "2022-09-04T14:42:07.290272Z",
"structure_string": "Zr2 Ge2 S2\n1.0\n3.656054 0.000000 0.000000\n0.000000 3.656054 0.000000\n0.000000 0.000000 8.108891\nZr Ge S\n2 2 2\ndirect\n0.000000 0.500000 0.725130 Zr\n0.500000 0.000000 0.274870 Zr\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.379159 S\n0.500000 0.000000 0.620841 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ge",
"S"
],
"chemical_system": "Ge-S-Zr",
"density": 6.003315238411415,
"density_atomic": 0.05535598518574607,
"volume": 108.3893634964151,
"volume_molar": 10.878933397703626,
"formula_full": "Zr2 Ge2 S2",
"formula_reduced": "ZrGeS",
"formula_anonymous": "ABC",
"energy": -42.43797399,
"energy_per_atom": -7.0729956650000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.43197399,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0058184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.206000Z",
"spacegroup": 129
},
{
"id": "mp-1183231",
"created_at": "2022-09-04T14:42:07.650601Z",
"structure_string": "B2 Ru6\n1.0\n2.661136 -4.609223 0.000000\n2.661136 4.609223 0.000000\n0.000000 0.000000 4.062125\nB Ru\n2 6\ndirect\n0.333333 0.666667 0.750000 B\n0.666667 0.333333 0.250000 B\n0.174641 0.349281 0.250000 Ru\n0.650719 0.825359 0.250000 Ru\n0.174641 0.825359 0.250000 Ru\n0.825359 0.650719 0.750000 Ru\n0.349281 0.174641 0.750000 Ru\n0.825359 0.174641 0.750000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"B",
"Ru"
],
"chemical_system": "B-Ru",
"density": 10.46549358456595,
"density_atomic": 0.08028084174104676,
"volume": 99.650175888847,
"volume_molar": 7.501342324517434,
"formula_full": "B2 Ru6",
"formula_reduced": "BRu3",
"formula_anonymous": "AB3",
"energy": -65.27707046,
"energy_per_atom": -8.1596338075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.27707046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.20996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.533000Z",
"spacegroup": 194
},
{
"id": "mp-1174378",
"created_at": "2022-09-04T14:42:06.474447Z",
"structure_string": "Li8 Mn6 O14\n1.0\n1.442472 10.490552 0.000000\n-1.442472 10.490552 0.000000\n0.000000 1.742480 8.636385\nLi Mn O\n8 6 14\ndirect\n0.500000 0.500000 0.500000 Li\n0.361297 0.361297 0.075357 Li\n0.215497 0.215497 0.647728 Li\n0.069898 0.069898 0.180126 Li\n0.930102 0.930102 0.819874 Li\n0.784503 0.784503 0.352272 Li\n0.638703 0.638703 0.924643 Li\n0.500000 0.500000 0.000000 Li\n0.069258 0.069258 0.734391 Mn\n0.930742 0.930742 0.265609 Mn\n0.788956 0.788956 0.857502 Mn\n0.640677 0.640677 0.439072 Mn\n0.359323 0.359323 0.560928 Mn\n0.211044 0.211044 0.142498 Mn\n0.506032 0.506032 0.748835 O\n0.365863 0.365863 0.307236 O\n0.224257 0.224257 0.881505 O\n0.075579 0.075579 0.489077 O\n0.928745 0.928745 0.058324 O\n0.794441 0.794441 0.594320 O\n0.645165 0.645165 0.174141 O\n0.493968 0.493968 0.251165 O\n0.354835 0.354835 0.825859 O\n0.205559 0.205559 0.405680 O\n0.071255 0.071255 0.941676 O\n0.924421 0.924421 0.510923 O\n0.775743 0.775743 0.118495 O\n0.634137 0.634137 0.692764 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8699388682868667,
"density_atomic": 0.10712487018188672,
"volume": 261.3772128961179,
"volume_molar": 5.621608455417533,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy": -199.11447779,
"energy_per_atom": -7.111231349642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.48847779,
"band_gap": 1.1789,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9993841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.317000Z",
"spacegroup": 12
}
]
}