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=86",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=84",
"results": [
{
"id": "mp-1103425",
"created_at": "2022-09-04T14:44:03.445838Z",
"structure_string": "Er2 Co6 Si4\n1.0\n-2.606305 3.472689 4.499487\n2.606305 -3.472689 4.499487\n2.606305 3.472689 -4.499487\nEr Co Si\n2 6 4\ndirect\n0.250000 0.526562 0.276562 Er\n0.750000 0.473438 0.723438 Er\n0.000000 0.000000 0.500000 Co\n0.500000 0.000000 0.000000 Co\n0.726661 0.000000 0.726661 Co\n0.226661 0.500000 0.726661 Co\n0.273339 0.000000 0.273339 Co\n0.773339 0.500000 0.273339 Co\n0.081827 0.870917 0.789090 Si\n0.918173 0.129083 0.210910 Si\n0.581827 0.792738 0.210910 Si\n0.418173 0.207262 0.789090 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Co",
"Si"
],
"chemical_system": "Co-Er-Si",
"density": 8.159699411028784,
"density_atomic": 0.0736660061191915,
"volume": 162.8973882550931,
"volume_molar": 8.174925012571178,
"formula_full": "Er2 Co6 Si4",
"formula_reduced": "ErCo3Si2",
"formula_anonymous": "AB2C3",
"energy": -81.96934243,
"energy_per_atom": -6.830778535833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.25334243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.42e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.032000Z",
"spacegroup": 74
},
{
"id": "mp-21244",
"created_at": "2022-09-04T14:44:03.706383Z",
"structure_string": "Cr3 Rh1 N1\n1.0\n3.819403 0.000000 0.000000\n0.000000 3.819403 0.000000\n0.000000 0.000000 3.819403\nCr Rh N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cr",
"Rh",
"N"
],
"chemical_system": "Cr-N-Rh",
"density": 8.133303417155991,
"density_atomic": 0.08973948021133853,
"volume": 55.71683709583436,
"volume_molar": 6.710692713862082,
"formula_full": "Cr3 Rh1 N1",
"formula_reduced": "Cr3RhN",
"formula_anonymous": "ABC3",
"energy": -46.1898502,
"energy_per_atom": -9.23797004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.8288502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7504328,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.491000Z",
"spacegroup": 221
},
{
"id": "mp-1245402",
"created_at": "2022-09-04T14:44:03.725075Z",
"structure_string": "Cr2 Ni6 N6\n1.0\n6.244108 0.000412 0.000000\n-3.121731 5.406676 0.000000\n0.000000 0.000000 4.118870\nCr Ni N\n2 6 6\ndirect\n0.666655 0.333317 0.750000 Cr\n0.333345 0.666683 0.250000 Cr\n0.882692 0.597784 0.250000 Ni\n0.715129 0.117328 0.250000 Ni\n0.402222 0.284922 0.250000 Ni\n0.117308 0.402216 0.750000 Ni\n0.284871 0.882672 0.750000 Ni\n0.597778 0.715078 0.750000 Ni\n0.953173 0.617200 0.750000 N\n0.664030 0.046798 0.750000 N\n0.382802 0.335952 0.750000 N\n0.046827 0.382800 0.250000 N\n0.335970 0.953202 0.250000 N\n0.617198 0.664048 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cr",
"Ni",
"N"
],
"chemical_system": "Cr-N-Ni",
"density": 6.450635581864721,
"density_atomic": 0.10067755377418913,
"volume": 139.0578085697311,
"volume_molar": 5.9816121213146785,
"formula_full": "Cr2 Ni6 N6",
"formula_reduced": "Cr(NiN)3",
"formula_anonymous": "AB3C3",
"energy": -103.1664211,
"energy_per_atom": -7.369030078571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.0004211,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9323277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.125000Z",
"spacegroup": 176
},
{
"id": "mp-26400",
"created_at": "2022-09-04T14:44:03.740800Z",
"structure_string": "Li8 V4 P8 O32\n1.0\n4.029661 2.670823 -0.143318\n8.093455 -10.671348 -6.790781\n-3.984001 2.665540 -6.357517\nLi V P O\n8 4 8 32\ndirect\n0.420586 0.240882 0.043813 Li\n0.670881 0.490812 0.793935 Li\n0.920644 0.740869 0.543827 Li\n0.170865 0.990804 0.293917 Li\n0.636698 0.131784 0.390958 Li\n0.886870 0.381822 0.141071 Li\n0.136891 0.631777 0.891061 Li\n0.386868 0.881806 0.641107 Li\n0.255135 0.749140 0.242297 V\n0.505100 0.999219 0.992543 V\n0.755052 0.249145 0.742243 V\n0.004917 0.499283 0.492295 V\n0.509380 0.355527 0.412541 P\n0.759488 0.605499 0.162596 P\n0.009548 0.855524 0.912535 P\n0.259550 0.105488 0.662569 P\n0.986066 0.143059 0.086390 P\n0.236086 0.393006 0.836349 P\n0.486003 0.643038 0.586341 P\n0.736092 0.893065 0.336409 P\n0.900902 0.165070 0.257878 O\n0.151144 0.414998 0.007927 O\n0.400946 0.665024 0.757933 O\n0.650811 0.915061 0.507934 O\n0.696801 0.431810 0.529116 O\n0.946821 0.681801 0.279113 O\n0.196937 0.931795 0.029116 O\n0.446861 0.181783 0.779123 O\n0.802436 0.067478 0.967715 O\n0.052410 0.317483 0.717607 O\n0.302360 0.567467 0.467644 O\n0.552425 0.817478 0.217671 O\n0.581024 0.329635 0.236269 O\n0.831000 0.579610 0.986294 O\n0.081105 0.829659 0.736293 O\n0.331070 0.079662 0.486303 O\n0.548745 0.271457 0.513862 O\n0.798708 0.521437 0.263873 O\n0.048798 0.771435 0.013823 O\n0.298743 0.021461 0.763795 O\n0.191699 0.390878 0.394786 O\n0.441599 0.640838 0.144636 O\n0.691929 0.890873 0.894978 O\n0.941785 0.140856 0.644897 O\n0.307628 0.110390 0.104168 O\n0.557710 0.360357 0.854116 O\n0.807648 0.610369 0.604142 O\n0.057678 0.860357 0.354138 O\n0.956418 0.228017 0.986130 O\n0.206411 0.478034 0.736175 O\n0.456423 0.728016 0.486165 O\n0.706293 0.978026 0.236238 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 3.0271269205899145,
"density_atomic": 0.09302143500239232,
"volume": 559.0109419260482,
"volume_molar": 6.4739280358824,
"formula_full": "Li8 V4 P8 O32",
"formula_reduced": "Li2V(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -390.10010328,
"energy_per_atom": -7.501925063076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -361.31610328,
"band_gap": 1.4581999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.085000Z",
"spacegroup": 8
},
{
"id": "mp-1035839",
"created_at": "2022-09-04T14:44:03.744662Z",
"structure_string": "Y1 Mg14 Cd1 O16\n1.0\n8.777204 0.000000 0.000000\n0.000000 8.777204 0.000000\n0.000000 0.000000 4.400619\nY Mg Cd O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.263547 0.000000 0.500000 Mg\n0.736453 0.000000 0.500000 Mg\n0.248084 0.500000 0.500000 Mg\n0.751916 0.500000 0.500000 Mg\n0.000000 0.263547 0.500000 Mg\n0.500000 0.248084 0.500000 Mg\n0.000000 0.736453 0.500000 Mg\n0.500000 0.751916 0.500000 Mg\n0.256518 0.256518 0.000000 Mg\n0.743482 0.256518 0.000000 Mg\n0.256518 0.743482 0.000000 Mg\n0.743482 0.743482 0.000000 Mg\n0.500000 0.500000 0.000000 Cd\n0.000000 0.255949 0.000000 O\n0.500000 0.229704 0.000000 O\n0.000000 0.744051 0.000000 O\n0.500000 0.770296 0.000000 O\n0.247725 0.247725 0.500000 O\n0.752275 0.247725 0.500000 O\n0.247725 0.752275 0.500000 O\n0.752275 0.752275 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.255949 0.000000 0.000000 O\n0.744051 0.000000 0.000000 O\n0.229704 0.500000 0.000000 O\n0.770296 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Cd",
"O"
],
"chemical_system": "Cd-Mg-O-Y",
"density": 3.9065708123055924,
"density_atomic": 0.09438953010755259,
"volume": 339.02065158643603,
"volume_molar": 6.38009401375136,
"formula_full": "Y1 Mg14 Cd1 O16",
"formula_reduced": "YMg14CdO16",
"formula_anonymous": "ABC14D16",
"energy": -200.92485372,
"energy_per_atom": -6.27890167875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.93285372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063826,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.886000Z",
"spacegroup": 123
},
{
"id": "mp-1215746",
"created_at": "2022-09-04T14:44:03.825343Z",
"structure_string": "Zn1 Cd1 Cu4 Sn2 S8\n1.0\n5.554833 0.000000 0.000000\n0.000000 5.554833 0.000000\n0.000000 0.000000 11.010428\nZn Cd Cu Sn S\n1 1 4 2 8\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.252815 Cu\n0.000000 0.500000 0.747185 Cu\n0.000000 0.500000 0.252815 Cu\n0.500000 0.000000 0.747185 Cu\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.744061 0.744061 0.142013 S\n0.256332 0.256332 0.632249 S\n0.255939 0.255939 0.142013 S\n0.743668 0.743668 0.632249 S\n0.743668 0.256332 0.367751 S\n0.255939 0.744061 0.857987 S\n0.256332 0.743668 0.367751 S\n0.744061 0.255939 0.857987 S\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Zn",
"Cd",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cd-Cu-S-Sn-Zn",
"density": 4.5257191976352695,
"density_atomic": 0.047094887911687845,
"volume": 339.7396343739715,
"volume_molar": 12.787249374693694,
"formula_full": "Zn1 Cd1 Cu4 Sn2 S8",
"formula_reduced": "ZnCdCu4(SnS4)2",
"formula_anonymous": "ABC2D4E8",
"energy": -70.54975027,
"energy_per_atom": -4.409359391875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.52575027,
"band_gap": 0.3207000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.972000Z",
"spacegroup": 111
},
{
"id": "mp-1223020",
"created_at": "2022-09-04T14:44:03.494372Z",
"structure_string": "La1 Mo12 Pb1 Se16\n1.0\n8.535658 -4.815720 0.000000\n8.535658 4.815720 0.000000\n5.818685 0.000000 7.886160\nLa Mo Pb Se\n1 12 1 16\ndirect\n0.500000 0.500000 0.500000 La\n0.871810 0.550400 0.688814 Mo\n0.372484 0.049721 0.189053 Mo\n0.550400 0.688814 0.871810 Mo\n0.049721 0.189053 0.372484 Mo\n0.688814 0.871810 0.550400 Mo\n0.189053 0.372484 0.049721 Mo\n0.627516 0.950279 0.810947 Mo\n0.128190 0.449600 0.311186 Mo\n0.950279 0.810947 0.627516 Mo\n0.449600 0.311186 0.128190 Mo\n0.810947 0.627516 0.950279 Mo\n0.311186 0.128190 0.449600 Mo\n0.000000 0.000000 0.000000 Pb\n0.377201 0.002720 0.743666 Se\n0.875657 0.504202 0.245557 Se\n0.002720 0.743666 0.377201 Se\n0.504202 0.245557 0.875657 Se\n0.743666 0.377201 0.002720 Se\n0.245557 0.875657 0.504202 Se\n0.124343 0.495798 0.754443 Se\n0.622799 0.997280 0.256334 Se\n0.495798 0.754443 0.124343 Se\n0.997280 0.256334 0.622799 Se\n0.754443 0.124343 0.495798 Se\n0.256334 0.622799 0.997280 Se\n0.620962 0.620962 0.620962 Se\n0.121703 0.121703 0.121703 Se\n0.878297 0.878297 0.878297 Se\n0.379038 0.379038 0.379038 Se\n",
"nsites": 30,
"nelements": 4,
"elements": [
"La",
"Mo",
"Pb",
"Se"
],
"chemical_system": "La-Mo-Pb-Se",
"density": 7.071013270228017,
"density_atomic": 0.04627297703455801,
"volume": 648.3265595294447,
"volume_molar": 13.014379333109451,
"formula_full": "La1 Mo12 Pb1 Se16",
"formula_reduced": "LaMo12PbSe16",
"formula_anonymous": "ABC12D16",
"energy": -221.09326651,
"energy_per_atom": -7.369775550333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -213.54126651,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8470641,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.975000Z",
"spacegroup": 148
},
{
"id": "mp-556163",
"created_at": "2022-09-04T14:44:03.588741Z",
"structure_string": "Zn4 Si2 O8\n1.0\n-3.548019 3.548019 3.276040\n3.548019 -3.548019 3.276040\n3.548019 3.548019 -3.276040\nZn Si O\n4 2 8\ndirect\n0.967257 0.875000 0.592257 Zn\n0.282743 0.375000 0.407743 Zn\n0.625000 0.032743 0.907743 Zn\n0.125000 0.717257 0.092257 Zn\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.416053 0.121878 0.318973 O\n0.878122 0.197095 0.294175 O\n0.447095 0.628122 0.794175 O\n0.371878 0.166053 0.818973 O\n0.347080 0.552905 0.181027 O\n0.902920 0.583947 0.705825 O\n0.802905 0.097080 0.681027 O\n0.833947 0.652920 0.205825 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Zn",
"density": 4.487559749071903,
"density_atomic": 0.08486858764273622,
"volume": 164.96091650463845,
"volume_molar": 7.095841850639571,
"formula_full": "Zn4 Si2 O8",
"formula_reduced": "Zn2SiO4",
"formula_anonymous": "AB2C4",
"energy": -89.37247658,
"energy_per_atom": -6.383748327142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.87647658,
"band_gap": 2.6857,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.52e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.576000Z",
"spacegroup": 122
},
{
"id": "mp-1201644",
"created_at": "2022-09-04T14:44:03.636440Z",
"structure_string": "Sc12 In4 S24\n1.0\n3.682682 0.000000 0.000000\n0.000000 12.842138 0.000000\n0.000000 0.000000 16.167541\nSc In S\n12 4 24\ndirect\n0.252299 0.034957 0.773681 Sc\n0.252299 0.965043 0.226319 Sc\n0.747701 0.465043 0.273681 Sc\n0.747701 0.534957 0.726319 Sc\n0.267973 0.246854 0.613600 Sc\n0.267973 0.753146 0.386400 Sc\n0.732027 0.253146 0.113600 Sc\n0.732027 0.746854 0.886400 Sc\n0.748718 0.308698 0.855609 Sc\n0.748718 0.691302 0.144391 Sc\n0.251282 0.191302 0.355609 Sc\n0.251282 0.808698 0.644391 Sc\n0.755291 0.000000 0.500000 In\n0.244709 0.500000 0.000000 In\n0.367520 0.500000 0.500000 In\n0.632480 0.000000 0.000000 In\n0.772570 0.395793 0.598033 S\n0.772570 0.604207 0.401967 S\n0.227430 0.104207 0.098033 S\n0.227430 0.895793 0.901967 S\n0.249116 0.301144 0.977404 S\n0.249116 0.698856 0.022596 S\n0.750884 0.198856 0.477404 S\n0.750884 0.801144 0.522596 S\n0.748536 0.108566 0.877589 S\n0.748536 0.891434 0.122411 S\n0.251464 0.391434 0.377589 S\n0.251464 0.608566 0.622411 S\n0.762332 0.180561 0.716305 S\n0.762332 0.819439 0.283695 S\n0.237668 0.319439 0.216305 S\n0.237668 0.680561 0.783695 S\n0.251770 0.381793 0.756516 S\n0.251770 0.618207 0.243484 S\n0.748230 0.118207 0.256516 S\n0.748230 0.881793 0.743484 S\n0.254202 0.021488 0.609733 S\n0.254202 0.978512 0.390267 S\n0.745798 0.478512 0.109733 S\n0.745798 0.521488 0.890267 S\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Sc",
"In",
"S"
],
"chemical_system": "In-S-Sc",
"density": 3.8402566059477,
"density_atomic": 0.05231358330765512,
"volume": 764.6197693008489,
"volume_molar": 11.511619696521098,
"formula_full": "Sc12 In4 S24",
"formula_reduced": "Sc3InS6",
"formula_anonymous": "AB3C6",
"energy": -255.86079082,
"energy_per_atom": -6.3965197705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.78879082,
"band_gap": 0.6738000000000008,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.689000Z",
"spacegroup": 18
},
{
"id": "mp-1345658",
"created_at": "2022-09-04T14:44:03.705351Z",
"structure_string": "Al2 Cu6 S12\n1.0\n-2.578117 2.578117 15.164573\n2.578117 -2.578117 15.164573\n2.578117 2.578117 -15.164573\nAl Cu S\n2 6 12\ndirect\n0.250000 0.750000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.664718 0.664718 0.000000 Cu\n0.335282 0.335282 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.085282 0.585282 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.414718 0.914718 0.500000 Cu\n0.875000 0.382256 0.007256 S\n0.552244 0.037965 0.002490 S\n0.197756 0.700245 0.985721 S\n0.962035 0.964524 0.514279 S\n0.617744 0.625000 0.492744 S\n0.299755 0.285476 0.497510 S\n0.375000 0.867744 0.992744 S\n0.035476 0.549755 0.997510 S\n0.714524 0.212035 0.014279 S\n0.450245 0.447756 0.485721 S\n0.132256 0.125000 0.507256 S\n0.787965 0.802244 0.502490 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Cu",
"S"
],
"chemical_system": "Al-Cu-S",
"density": 3.3773621422006226,
"density_atomic": 0.04960604159187235,
"volume": 403.17669699484503,
"volume_molar": 12.13993410227413,
"formula_full": "Al2 Cu6 S12",
"formula_reduced": "Al(CuS2)3",
"formula_anonymous": "AB3C6",
"energy": -89.44437605000002,
"energy_per_atom": -4.4722188025000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.40837605000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8690939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.157000Z",
"spacegroup": 122
},
{
"id": "mp-1187512",
"created_at": "2022-09-04T14:44:03.725084Z",
"structure_string": "Ti1 Au3\n1.0\n-2.117862 2.117862 3.893822\n2.117862 -2.117862 3.893822\n2.117862 2.117862 -3.893822\nTi Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 15.183083057980024,
"density_atomic": 0.057257000013010886,
"volume": 69.86045372777221,
"volume_molar": 10.517737147652772,
"formula_full": "Ti1 Au3",
"formula_reduced": "TiAu3",
"formula_anonymous": "AB3",
"energy": -18.82509947,
"energy_per_atom": -4.7062748675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.82509947,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2846015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.457000Z",
"spacegroup": 139
},
{
"id": "mp-1029155",
"created_at": "2022-09-04T14:43:59.139994Z",
"structure_string": "Te2 Mo2 W2 Se2 S4\n1.0\n1.652154 -2.861614 0.000000\n1.652154 2.861614 0.000000\n0.000000 0.000000 37.614019\nTe Mo W Se S\n2 2 2 2 4\ndirect\n0.333333 0.666667 0.043092 Te\n0.333333 0.666667 0.144676 Te\n0.000000 0.000000 0.093873 Mo\n0.333333 0.666667 0.281852 Mo\n0.000000 0.000000 0.469658 W\n0.333333 0.666667 0.657533 W\n0.000000 0.000000 0.326458 Se\n0.000000 0.000000 0.237214 Se\n0.000000 0.000000 0.698335 S\n0.333333 0.666667 0.428868 S\n0.333333 0.666667 0.510462 S\n0.000000 0.000000 0.616728 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.140098425791242,
"density_atomic": 0.033739600251857266,
"volume": 355.66515045890134,
"volume_molar": 17.84887999575069,
"formula_full": "Te2 Mo2 W2 Se2 S4",
"formula_reduced": "TeMoWSeS2",
"formula_anonymous": "ABCDE2",
"energy": -88.329773,
"energy_per_atom": -7.360814416666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.529773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.559000Z",
"spacegroup": 156
}
]
}