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=10405",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10403",
"results": [
{
"id": "mp-756218",
"created_at": "2022-09-04T14:40:02.725458Z",
"structure_string": "Li2 V2 Cr2 O8\n1.0\n5.971086 0.002142 0.000462\n2.987431 5.125096 -0.059032\n-2.984493 1.651134 4.849462\nLi V Cr O\n2 2 2 8\ndirect\n0.250010 0.126198 0.126467 Li\n0.749991 0.873804 0.873537 Li\n0.000000 0.500005 0.500001 V\n0.500001 0.499997 0.499999 V\n0.499999 0.499998 0.999995 Cr\n0.000012 0.999991 0.500009 Cr\n0.522332 0.269704 0.270048 O\n0.977358 0.269220 0.269353 O\n0.022630 0.730794 0.730633 O\n0.477667 0.730292 0.729954 O\n0.973134 0.270304 0.714739 O\n0.527444 0.714913 0.269998 O\n0.026871 0.729695 0.285261 O\n0.472551 0.285084 0.730005 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.8764360233818866,
"density_atomic": 0.09398129457398655,
"volume": 148.9658135000315,
"volume_molar": 6.4078078380364145,
"formula_full": "Li2 V2 Cr2 O8",
"formula_reduced": "LiVCrO4",
"formula_anonymous": "ABCD4",
"energy": -115.31825649,
"energy_per_atom": -8.237018320714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.42425649,
"band_gap": 0.936,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.52e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.627000Z",
"spacegroup": 74
},
{
"id": "mp-9834",
"created_at": "2022-09-04T14:40:02.727217Z",
"structure_string": "Nd1 Ga1 O3\n1.0\n4.563814 0.000000 0.000000\n0.000000 4.563814 0.000000\n0.000000 0.000000 4.563814\nNd Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"O"
],
"chemical_system": "Ga-Nd-O",
"density": 4.576206098699859,
"density_atomic": 0.05260005466925251,
"volume": 95.05693542411397,
"volume_molar": 11.448924906764892,
"formula_full": "Nd1 Ga1 O3",
"formula_reduced": "NdGaO3",
"formula_anonymous": "ABC3",
"energy": -30.74543997,
"energy_per_atom": -6.149087994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.68443997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9978381,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.244000Z",
"spacegroup": 221
},
{
"id": "mp-762239",
"created_at": "2022-09-04T14:40:02.733092Z",
"structure_string": "Mn2 C4 O12\n1.0\n7.380302 0.000000 0.000000\n0.000000 5.272763 0.000000\n0.000000 2.786396 6.256522\nMn C O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.264720 0.118129 0.139136 C\n0.764720 0.881871 0.360864 C\n0.235280 0.118129 0.639136 C\n0.735280 0.881871 0.860864 C\n0.249696 0.890165 0.109250 O\n0.123900 0.278689 0.080625 O\n0.407194 0.187109 0.213295 O\n0.907194 0.812891 0.286705 O\n0.623900 0.721311 0.419375 O\n0.749696 0.109835 0.390750 O\n0.250304 0.890165 0.609250 O\n0.376100 0.278689 0.580625 O\n0.092806 0.187109 0.713295 O\n0.592806 0.812891 0.786705 O\n0.876100 0.721311 0.919375 O\n0.750304 0.109835 0.890750 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"C",
"O"
],
"chemical_system": "C-Mn-O",
"density": 2.3865041215699105,
"density_atomic": 0.07393109601135467,
"volume": 243.46994662753923,
"volume_molar": 8.145612719004047,
"formula_full": "Mn2 C4 O12",
"formula_reduced": "Mn(CO3)2",
"formula_anonymous": "AB2C6",
"energy": -144.95722447000003,
"energy_per_atom": -8.053179137222223,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.37722447,
"band_gap": 0.9945000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0038276,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.756000Z",
"spacegroup": 14
},
{
"id": "mp-754776",
"created_at": "2022-09-04T14:40:02.797056Z",
"structure_string": "Sm4 Ge10 Ru6\n1.0\n-2.924801 4.985866 6.285238\n2.924801 -4.985866 6.285238\n2.924801 4.985866 -6.285238\nSm Ge Ru\n4 10 6\ndirect\n0.092324 0.361030 0.731293 Sm\n0.370263 0.138970 0.231293 Sm\n0.629737 0.861030 0.768707 Sm\n0.907676 0.638970 0.268707 Sm\n0.237165 0.911838 0.325327 Ge\n0.707752 0.957752 0.250000 Ge\n0.413489 0.588162 0.825327 Ge\n0.707752 0.457752 0.750000 Ge\n0.000000 0.750000 0.750000 Ge\n0.000000 0.250000 0.250000 Ge\n0.292248 0.542248 0.250000 Ge\n0.586511 0.411838 0.174673 Ge\n0.292248 0.042248 0.750000 Ge\n0.762835 0.088162 0.674673 Ge\n0.944387 0.853105 0.091282 Ru\n0.238177 0.646895 0.591282 Ru\n0.761823 0.353105 0.408718 Ru\n0.055613 0.146895 0.908718 Ru\n0.500000 0.750000 0.250000 Ru\n0.500000 0.250000 0.750000 Ru\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sm",
"Ge",
"Ru"
],
"chemical_system": "Ge-Ru-Sm",
"density": 8.760831038795011,
"density_atomic": 0.054552084733627264,
"volume": 366.6221024853245,
"volume_molar": 11.03924953446885,
"formula_full": "Sm4 Ge10 Ru6",
"formula_reduced": "Sm2Ge5Ru3",
"formula_anonymous": "A2B3C5",
"energy": -133.74528349,
"energy_per_atom": -6.687264174499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.74528349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.324000Z",
"spacegroup": 72
},
{
"id": "mp-1110940",
"created_at": "2022-09-04T14:40:02.806096Z",
"structure_string": "K2 Li1 Mo1 I6\n1.0\n0.000000 5.796793 5.796793\n5.796793 0.000000 5.796793\n5.796793 5.796793 0.000000\nK Li Mo I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.756960 0.243040 0.243040 I\n0.243040 0.243040 0.756960 I\n0.243040 0.756960 0.756960 I\n0.243040 0.756960 0.243040 I\n0.756960 0.243040 0.756960 I\n0.756960 0.756960 0.243040 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Mo",
"I"
],
"chemical_system": "I-K-Li-Mo",
"density": 4.017344917687588,
"density_atomic": 0.02566886273503721,
"volume": 389.5770569667782,
"volume_molar": 23.460878739204773,
"formula_full": "K2 Li1 Mo1 I6",
"formula_reduced": "K2LiMoI6",
"formula_anonymous": "ABC2D6",
"energy": -34.7120885,
"energy_per_atom": -3.47120885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.4380885,
"band_gap": 0.9740000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9987931,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.204000Z",
"spacegroup": 225
},
{
"id": "mp-768629",
"created_at": "2022-09-04T14:40:02.707782Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.241255 0.000000 0.000000\n-1.739150 8.098198 0.000000\n-0.539726 -0.742477 8.440009\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.743180 0.501966 0.111114 Li\n0.589516 0.128627 0.288411 Li\n0.263953 0.513340 0.890766 Li\n0.771489 0.012807 0.884389 Li\n0.469152 0.720057 0.335114 Fe\n0.978049 0.221644 0.335800 Fe\n0.026972 0.775072 0.663050 Fe\n0.520564 0.270686 0.663135 Fe\n0.755468 0.506459 0.422326 P\n0.254384 0.998441 0.423127 P\n0.736067 0.993900 0.575294 P\n0.241272 0.488464 0.577936 P\n0.526296 0.784011 0.048891 C\n0.026025 0.274866 0.048825 C\n0.970301 0.724096 0.945975 C\n0.493628 0.230732 0.960934 C\n0.413658 0.654215 0.068722 O\n0.902449 0.155238 0.071885 O\n0.934748 0.687366 0.081945 O\n0.594860 0.872130 0.180601 O\n0.476275 0.190206 0.100181 O\n0.109802 0.352152 0.178248 O\n0.635017 0.575852 0.309999 O\n0.804896 0.371220 0.307196 O\n0.306247 0.864088 0.313977 O\n0.118817 0.060850 0.327004 O\n0.908578 0.645505 0.478722 O\n0.792732 0.076090 0.423421 O\n0.319475 0.554770 0.430034 O\n0.413242 0.141296 0.466187 O\n0.589328 0.847216 0.521084 O\n0.674988 0.432012 0.566080 O\n0.193764 0.934952 0.579708 O\n0.088362 0.347910 0.521502 O\n0.872324 0.936783 0.675974 O\n0.186322 0.619048 0.689808 O\n0.678541 0.119415 0.692992 O\n0.362917 0.419621 0.689091 O\n0.885989 0.640606 0.819419 O\n0.577068 0.827493 0.918866 O\n0.399402 0.147808 0.841589 O\n0.066925 0.321373 0.916901 O\n0.605583 0.355482 0.927460 O\n0.088142 0.842885 0.910503 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O-P",
"density": 2.5678818179124714,
"density_atomic": 0.07811384641686801,
"volume": 563.2804172154885,
"volume_molar": 7.709440817779997,
"formula_full": "Li4 Fe4 P4 C4 O28",
"formula_reduced": "LiFePCO7",
"formula_anonymous": "ABCDE7",
"energy": -329.58132818,
"energy_per_atom": -7.490484731363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.32132818,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.874000Z",
"spacegroup": 1
},
{
"id": "mp-687205",
"created_at": "2022-09-04T14:40:02.714366Z",
"structure_string": "Tc4 Pb4 O12\n1.0\n0.000000 5.230364 5.230364\n5.230364 0.000000 5.230364\n5.230364 5.230364 0.000000\nTc Pb O\n4 4 12\ndirect\n0.125000 0.125000 0.125000 Tc\n0.625000 0.125000 0.125000 Tc\n0.125000 0.125000 0.625000 Tc\n0.125000 0.625000 0.125000 Tc\n0.625000 0.625000 0.625000 Pb\n0.125000 0.625000 0.625000 Pb\n0.625000 0.125000 0.625000 Pb\n0.625000 0.625000 0.125000 Pb\n0.194379 0.194379 0.805621 O\n0.805621 0.805621 0.194379 O\n0.055621 0.055621 0.444379 O\n0.805621 0.194379 0.805621 O\n0.194379 0.805621 0.805621 O\n0.805621 0.194379 0.194379 O\n0.194379 0.805621 0.194379 O\n0.444379 0.055621 0.055621 O\n0.444379 0.444379 0.055621 O\n0.055621 0.444379 0.444379 O\n0.444379 0.055621 0.444379 O\n0.055621 0.444379 0.055621 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tc",
"Pb",
"O"
],
"chemical_system": "O-Pb-Tc",
"density": 8.197885205224003,
"density_atomic": 0.06988826480038864,
"volume": 286.1710768914209,
"volume_molar": 8.6168125324046,
"formula_full": "Tc4 Pb4 O12",
"formula_reduced": "TcPbO3",
"formula_anonymous": "ABC3",
"energy": -148.74999438,
"energy_per_atom": -7.437499719,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.50599438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0804837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.941000Z",
"spacegroup": 227
},
{
"id": "mp-760199",
"created_at": "2022-09-04T14:40:02.720877Z",
"structure_string": "La9 Mn10 O30\n1.0\n2.790705 4.750845 0.000000\n-2.790705 4.750845 0.000000\n0.000000 3.228578 22.767307\nLa Mn O\n9 10 30\ndirect\n0.447946 0.746461 0.204421 La\n0.551916 0.850696 0.898038 La\n0.655936 0.957761 0.589097 La\n0.253539 0.552054 0.795579 La\n0.042239 0.344064 0.410903 La\n0.149304 0.448084 0.101962 La\n0.753127 0.041392 0.306701 La\n0.849766 0.150234 0.000000 La\n0.958608 0.246873 0.693299 La\n0.395903 0.701484 0.354009 Mn\n0.500282 0.799694 0.050285 Mn\n0.603599 0.896983 0.748259 Mn\n0.298516 0.604097 0.645991 Mn\n0.103017 0.396401 0.251741 Mn\n0.200305 0.499718 0.949715 Mn\n0.798799 0.100578 0.150883 Mn\n0.899422 0.201201 0.849117 Mn\n0.004078 0.298962 0.547831 Mn\n0.701038 0.995922 0.452169 Mn\n0.024066 0.888763 0.913384 O\n0.387705 0.798737 0.702770 O\n0.619409 0.802896 0.393694 O\n0.809157 0.982918 0.801370 O\n0.153982 0.941038 0.596293 O\n0.058962 0.846018 0.403707 O\n0.111237 0.975934 0.086616 O\n0.716559 0.572043 0.287447 O\n0.888832 0.623965 0.013547 O\n0.917476 0.769441 0.687698 O\n0.201263 0.612295 0.297230 O\n0.624418 0.488133 0.113518 O\n0.983472 0.413163 0.900955 O\n0.427957 0.283441 0.712553 O\n0.828396 0.681443 0.509174 O\n0.570512 0.316625 0.388273 O\n0.975089 0.713473 0.187133 O\n0.415595 0.584405 0.000000 O\n0.774675 0.515099 0.787387 O\n0.197104 0.380591 0.606306 O\n0.484901 0.225325 0.212613 O\n0.511867 0.375582 0.886482 O\n0.286527 0.024911 0.812867 O\n0.683375 0.429488 0.611727 O\n0.318557 0.171604 0.490826 O\n0.230559 0.082524 0.312302 O\n0.586837 0.016528 0.099045 O\n0.801739 0.198261 0.500000 O\n0.017082 0.190843 0.198630 O\n0.376035 0.111168 0.986453 O\n",
"nsites": 49,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.269955636514244,
"density_atomic": 0.08116515618553635,
"volume": 603.7073333289761,
"volume_molar": 7.419613345206804,
"formula_full": "La9 Mn10 O30",
"formula_reduced": "La9Mn10O30",
"formula_anonymous": "A9B10C30",
"energy": -425.3343189,
"energy_per_atom": -8.68029222244898,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.0443189,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.1449866,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.034000Z",
"spacegroup": 5
},
{
"id": "mp-1046591",
"created_at": "2022-09-04T14:40:02.724734Z",
"structure_string": "Ba2 Tl2 Ni3 O10\n1.0\n-3.681270 0.000000 0.000000\n-0.011914 -3.688155 0.000000\n1.581190 1.252064 19.682811\nBa Tl Ni O\n2 2 3 10\ndirect\n0.103624 0.166759 0.280531 Ba\n0.804000 0.825857 0.718725 Ba\n0.680943 0.724404 0.437921 Tl\n0.236645 0.268027 0.561224 Tl\n0.348212 0.365237 0.835747 Ni\n0.548073 0.625602 0.163479 Ni\n0.410917 0.524317 0.999823 Ni\n0.342148 0.859480 0.817354 O\n0.284772 0.306114 0.664093 O\n0.841875 0.360744 0.819229 O\n0.765347 0.762696 0.544507 O\n0.909858 0.524685 0.004166 O\n0.055290 0.632217 0.181502 O\n0.633761 0.687156 0.335048 O\n0.555897 0.131291 0.180439 O\n0.226562 0.231939 0.454559 O\n0.402539 0.022178 0.994706 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Tl",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Tl",
"density": 6.334905692290989,
"density_atomic": 0.063614330792982,
"volume": 267.23538215504516,
"volume_molar": 9.466641690529846,
"formula_full": "Ba2 Tl2 Ni3 O10",
"formula_reduced": "Ba2Tl2Ni3O10",
"formula_anonymous": "A2B2C3D10",
"energy": -94.55700683,
"energy_per_atom": -5.562176872352942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.06400683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2539206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.809000Z",
"spacegroup": 1
},
{
"id": "mp-759575",
"created_at": "2022-09-04T14:40:02.728865Z",
"structure_string": "Li8 Fe4 Si4 O16\n1.0\n5.041767 0.000000 0.000000\n0.000000 6.334686 0.000000\n0.000000 0.000000 10.762198\nLi Fe Si O\n8 4 4 16\ndirect\n0.683267 0.998725 0.412351 Li\n0.316733 0.001275 0.587649 Li\n0.183267 0.498725 0.087649 Li\n0.816733 0.501275 0.912351 Li\n0.683267 0.501275 0.412351 Li\n0.316733 0.498725 0.587649 Li\n0.816733 0.998725 0.912351 Li\n0.183267 0.001275 0.087649 Li\n0.185592 0.750000 0.338131 Fe\n0.314408 0.750000 0.838131 Fe\n0.685592 0.250000 0.161869 Fe\n0.814408 0.250000 0.661869 Fe\n0.674637 0.750000 0.164675 Si\n0.825363 0.750000 0.664675 Si\n0.325363 0.250000 0.835325 Si\n0.174637 0.250000 0.335325 Si\n0.785808 0.964441 0.093265 O\n0.714192 0.964441 0.593265 O\n0.347076 0.750000 0.161018 O\n0.726157 0.750000 0.811853 O\n0.773843 0.750000 0.311853 O\n0.152924 0.750000 0.661018 O\n0.785808 0.535559 0.093265 O\n0.714192 0.535559 0.593265 O\n0.214192 0.464441 0.906735 O\n0.285808 0.464441 0.406735 O\n0.226157 0.250000 0.688147 O\n0.847076 0.250000 0.338982 O\n0.652924 0.250000 0.838982 O\n0.273843 0.250000 0.188147 O\n0.214192 0.035559 0.906735 O\n0.285808 0.035559 0.406735 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.12684154375548,
"density_atomic": 0.09309816837005128,
"volume": 343.7231962803478,
"volume_molar": 6.468592095241759,
"formula_full": "Li8 Fe4 Si4 O16",
"formula_reduced": "Li2FeSiO4",
"formula_anonymous": "ABC2D4",
"energy": -232.03933881,
"energy_per_atom": -7.2512293378125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.02333881,
"band_gap": 3.4058999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001766,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.713000Z",
"spacegroup": 62
},
{
"id": "mp-15783",
"created_at": "2022-09-04T14:40:02.731252Z",
"structure_string": "K1 Sm1 S2\n1.0\n7.481983 -2.073038 0.000000\n7.481983 2.073038 0.000000\n6.907605 0.000000 3.544369\nK Sm S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sm\n0.735110 0.735110 0.735110 S\n0.264890 0.264890 0.264890 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sm",
"S"
],
"chemical_system": "K-S-Sm",
"density": 3.829882097927534,
"density_atomic": 0.03638036785749843,
"volume": 109.94941050810601,
"volume_molar": 16.553270663970938,
"formula_full": "K1 Sm1 S2",
"formula_reduced": "KSmS2",
"formula_anonymous": "ABC2",
"energy": -22.54272356,
"energy_per_atom": -5.63568089,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.53672356,
"band_gap": 2.2759,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.171000Z",
"spacegroup": 166
},
{
"id": "mp-1104129",
"created_at": "2022-09-04T14:40:02.800496Z",
"structure_string": "Sn1 Mo6 Se8\n1.0\n4.872396 -4.831126 0.000000\n4.872396 4.831126 0.000000\n0.082191 0.000000 6.860996\nSn Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sn\n0.761832 0.577933 0.440873 Mo\n0.440873 0.761832 0.577933 Mo\n0.577933 0.440873 0.761832 Mo\n0.238168 0.422067 0.559127 Mo\n0.559127 0.238168 0.422067 Mo\n0.422067 0.559127 0.238168 Mo\n0.759925 0.759925 0.759925 Se\n0.240075 0.240075 0.240075 Se\n0.252714 0.622404 0.877061 Se\n0.877061 0.252714 0.622404 Se\n0.622404 0.877061 0.252714 Se\n0.747286 0.377596 0.122939 Se\n0.122939 0.747286 0.377596 Se\n0.377596 0.122939 0.747286 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sn",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Sn",
"density": 6.817016464212601,
"density_atomic": 0.04643903161117717,
"volume": 323.00415145585697,
"volume_molar": 12.967843107543532,
"formula_full": "Sn1 Mo6 Se8",
"formula_reduced": "Sn(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -108.09221584,
"energy_per_atom": -7.206147722666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.31621584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002011,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.085000Z",
"spacegroup": 148
}
]
}