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=11513",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=11511",
"results": [
{
"id": "mp-1184300",
"created_at": "2022-09-04T14:46:01.743752Z",
"structure_string": "Eu1 Mg3\n1.0\n0.000000 3.756841 3.756841\n3.756841 0.000000 3.756841\n3.756841 3.756841 0.000000\nEu Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Mg"
],
"chemical_system": "Eu-Mg",
"density": 3.5212718793032294,
"density_atomic": 0.03771911991554921,
"volume": 106.04701299913026,
"volume_molar": 15.965750986457806,
"formula_full": "Eu1 Mg3",
"formula_reduced": "EuMg3",
"formula_anonymous": "AB3",
"energy": -15.34725243,
"energy_per_atom": -3.8368131075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.34725243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1266748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.124000Z",
"spacegroup": 225
},
{
"id": "mp-1211450",
"created_at": "2022-09-04T14:46:01.767375Z",
"structure_string": "K4 Re4 O8\n1.0\n-3.151851 3.151851 6.536883\n3.151851 -3.151851 6.536883\n3.151851 3.151851 -6.536883\nK Re O\n4 4 8\ndirect\n0.875000 0.625000 0.250000 K\n0.375000 0.625000 0.750000 K\n0.375000 0.625000 0.250000 K\n0.375000 0.125000 0.750000 K\n0.375000 0.125000 0.250000 Re\n0.875000 0.125000 0.750000 Re\n0.875000 0.125000 0.250000 Re\n0.875000 0.625000 0.750000 Re\n0.154472 0.341126 0.186653 O\n0.154472 0.967819 0.813347 O\n0.091126 0.404472 0.686653 O\n0.595528 0.908874 0.313347 O\n0.717819 0.404472 0.313347 O\n0.595528 0.282181 0.686653 O\n0.658874 0.845528 0.813347 O\n0.032181 0.845528 0.186653 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Re",
"O"
],
"chemical_system": "K-O-Re",
"density": 6.579512783097262,
"density_atomic": 0.06159676760024242,
"volume": 259.753890071612,
"volume_molar": 9.776715556055086,
"formula_full": "K4 Re4 O8",
"formula_reduced": "KReO2",
"formula_anonymous": "ABC2",
"energy": -112.00398065,
"energy_per_atom": -7.000248790625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.50798065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4246237,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.881000Z",
"spacegroup": 141
},
{
"id": "mp-28351",
"created_at": "2022-09-04T14:46:01.805327Z",
"structure_string": "Dy8 Ge4 O20\n1.0\n3.451317 7.491861 0.000000\n-3.451317 7.491861 0.000000\n0.000000 5.567072 8.968980\nDy Ge O\n8 4 20\ndirect\n0.722942 0.206457 0.966119 Dy\n0.793543 0.277058 0.533881 Dy\n0.277058 0.793543 0.033881 Dy\n0.206457 0.722942 0.466119 Dy\n0.988141 0.736158 0.837928 Dy\n0.263842 0.011859 0.662072 Dy\n0.011859 0.263842 0.162072 Dy\n0.736158 0.988141 0.337928 Dy\n0.779124 0.590653 0.691940 Ge\n0.409347 0.220876 0.808060 Ge\n0.220876 0.409347 0.308060 Ge\n0.590653 0.779124 0.191940 Ge\n0.780913 0.628408 0.055196 O\n0.371592 0.219087 0.444804 O\n0.219087 0.371592 0.944804 O\n0.628408 0.780913 0.555196 O\n0.576941 0.590876 0.367491 O\n0.409124 0.423059 0.132509 O\n0.423059 0.409124 0.632509 O\n0.590876 0.576941 0.867491 O\n0.958815 0.649815 0.675680 O\n0.350185 0.041185 0.824320 O\n0.041185 0.350185 0.324320 O\n0.649815 0.958815 0.175680 O\n0.886625 0.080668 0.396739 O\n0.919332 0.113375 0.103261 O\n0.113375 0.919332 0.603261 O\n0.080668 0.886625 0.896739 O\n0.085591 0.680159 0.324571 O\n0.319841 0.914409 0.175429 O\n0.914409 0.319841 0.675429 O\n0.680159 0.085591 0.824571 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"O"
],
"chemical_system": "Dy-Ge-O",
"density": 6.8400525410540824,
"density_atomic": 0.06899257674302177,
"volume": 463.8180150770587,
"volume_molar": 8.72867929318078,
"formula_full": "Dy8 Ge4 O20",
"formula_reduced": "Dy2GeO5",
"formula_anonymous": "AB2C5",
"energy": -262.17920331,
"energy_per_atom": -8.1931001034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -248.43920331,
"band_gap": 4.0049,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001536,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:15.021000Z",
"spacegroup": 15
},
{
"id": "mp-1218175",
"created_at": "2022-09-04T14:46:01.415874Z",
"structure_string": "Sr4 La4 Mn4 O16 F4\n1.0\n3.810288 3.810223 0.000003\n-3.810301 3.810236 -0.000019\n0.000041 -0.000031 14.000416\nSr La Mn O F\n4 4 4 16 4\ndirect\n0.750034 0.999992 0.904278 Sr\n0.249983 0.499985 0.904281 Sr\n0.249991 0.000001 0.095719 Sr\n0.749997 0.499979 0.095721 Sr\n0.749995 0.999994 0.622553 La\n0.250022 0.500032 0.622555 La\n0.249979 0.000027 0.377455 La\n0.749999 0.499984 0.377439 La\n0.749999 0.500005 0.776187 Mn\n0.249983 0.500007 0.223821 Mn\n0.249997 0.000015 0.776175 Mn\n0.749989 0.999982 0.223792 Mn\n0.250027 0.000010 0.916936 O\n0.749993 0.500001 0.916936 O\n0.749993 0.999996 0.083075 O\n0.249997 0.499988 0.083068 O\n0.249999 0.999982 0.641836 O\n0.750014 0.499991 0.641834 O\n0.750000 0.000001 0.358173 O\n0.250005 0.500007 0.358167 O\n0.500015 0.750018 0.769511 O\n0.999987 0.249986 0.769504 O\n0.499990 0.250011 0.769503 O\n0.000024 0.749980 0.769513 O\n0.500001 0.249996 0.230497 O\n0.000009 0.750008 0.230495 O\n0.500008 0.750002 0.230498 O\n0.999994 0.250002 0.230487 O\n0.500008 0.749990 0.500002 F\n0.999993 0.250013 0.499997 F\n0.500003 0.250012 0.499997 F\n0.999973 0.750000 0.499999 F\n",
"nsites": 32,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"O",
"F"
],
"chemical_system": "F-La-Mn-O-Sr",
"density": 5.95494521838493,
"density_atomic": 0.07871715028919438,
"volume": 406.51878126224153,
"volume_molar": 7.650354132327715,
"formula_full": "Sr4 La4 Mn4 O16 F4",
"formula_reduced": "SrLaMnO4F",
"formula_anonymous": "ABCDE4",
"energy": -248.31774925,
"energy_per_atom": -7.7599296640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.80574925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.141000Z",
"spacegroup": 129
},
{
"id": "mp-1097269",
"created_at": "2022-09-04T14:46:01.418177Z",
"structure_string": "Hf1 Be1 Ir2\n1.0\n-4.490248 5.537000 7.825417\n4.490248 -5.537000 7.825417\n4.490248 5.537000 -7.825417\nHf Be Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Be\n0.000000 0.246102 0.246102 Ir\n0.000000 0.753898 0.753898 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Ir"
],
"chemical_system": "Be-Hf-Ir",
"density": 1.2203498073825638,
"density_atomic": 0.005139817028772194,
"volume": 778.2378200640976,
"volume_molar": 117.1664424295387,
"formula_full": "Hf1 Be1 Ir2",
"formula_reduced": "HfBeIr2",
"formula_anonymous": "ABC2",
"energy": -20.78936162,
"energy_per_atom": -5.197340405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.78936162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.485000Z",
"spacegroup": 71
},
{
"id": "mp-1073575",
"created_at": "2022-09-04T14:46:01.422863Z",
"structure_string": "Mg4 Si8\n1.0\n1.791742 4.745781 0.000000\n-1.791742 4.745781 0.000000\n0.000000 3.410089 12.332786\nMg Si\n4 8\ndirect\n0.829956 0.829956 0.807331 Mg\n0.170044 0.170044 0.192669 Mg\n0.504630 0.504630 0.383371 Mg\n0.495370 0.495370 0.616629 Mg\n0.929670 0.929670 0.103158 Si\n0.070330 0.070330 0.896842 Si\n0.170511 0.170511 0.701024 Si\n0.829489 0.829489 0.298976 Si\n0.360073 0.360073 0.981440 Si\n0.639927 0.639927 0.018560 Si\n0.210859 0.210859 0.425103 Si\n0.789141 0.789141 0.574897 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.548596674703328,
"density_atomic": 0.05721460281637501,
"volume": 209.73666527954222,
"volume_molar": 10.525531007053402,
"formula_full": "Mg4 Si8",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy": -46.77978473,
"energy_per_atom": -3.898315394166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.34778473,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0126495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.007000Z",
"spacegroup": 12
},
{
"id": "mp-754707",
"created_at": "2022-09-04T14:46:01.425690Z",
"structure_string": "Li4 Fe4 F12\n1.0\n4.532281 5.457056 0.000000\n-4.532281 5.457056 0.000000\n0.000000 2.068384 5.328349\nLi Fe F\n4 4 12\ndirect\n0.794128 0.619648 0.294090 Li\n0.619648 0.794128 0.794090 Li\n0.380352 0.205872 0.205910 Li\n0.205872 0.380352 0.705910 Li\n0.913760 0.086240 0.250000 Fe\n0.294062 0.705938 0.250000 Fe\n0.705938 0.294062 0.750000 Fe\n0.086240 0.913760 0.750000 Fe\n0.991647 0.805045 0.165111 F\n0.805045 0.991647 0.665111 F\n0.866232 0.339211 0.362108 F\n0.588954 0.693839 0.138746 F\n0.339211 0.866232 0.862108 F\n0.693839 0.588954 0.638746 F\n0.306161 0.411046 0.361254 F\n0.660789 0.133768 0.137892 F\n0.411046 0.306161 0.861254 F\n0.133768 0.660789 0.637892 F\n0.194955 0.008353 0.334889 F\n0.008353 0.194955 0.834889 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.018560509767178,
"density_atomic": 0.07588083452063127,
"volume": 263.5711655828217,
"volume_molar": 7.936313297085098,
"formula_full": "Li4 Fe4 F12",
"formula_reduced": "LiFeF3",
"formula_anonymous": "ABC3",
"energy": -119.70196477,
"energy_per_atom": -5.9850982385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -105.13396477,
"band_gap": 3.2949,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0002418,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.285000Z",
"spacegroup": 15
},
{
"id": "mp-1196120",
"created_at": "2022-09-04T14:46:01.481888Z",
"structure_string": "Sr32 Si8 As32\n1.0\n12.862549 0.000000 0.000000\n0.000000 12.862549 0.000000\n0.000000 0.000000 12.862549\nSr Si As\n32 8 32\ndirect\n0.132838 0.644858 0.095007 Sr\n0.355142 0.904993 0.132838 Sr\n0.095007 0.867162 0.355142 Sr\n0.867162 0.355142 0.095007 Sr\n0.644858 0.095007 0.132838 Sr\n0.904993 0.132838 0.355142 Sr\n0.132838 0.355142 0.904993 Sr\n0.355142 0.095007 0.867162 Sr\n0.095007 0.132838 0.644858 Sr\n0.867162 0.644858 0.904993 Sr\n0.644858 0.904993 0.867162 Sr\n0.904993 0.867162 0.644858 Sr\n0.632838 0.595007 0.144858 Sr\n0.855142 0.632838 0.404993 Sr\n0.595007 0.855142 0.367162 Sr\n0.367162 0.595007 0.855142 Sr\n0.144858 0.632838 0.595007 Sr\n0.404993 0.855142 0.632838 Sr\n0.632838 0.404993 0.855142 Sr\n0.855142 0.367162 0.595007 Sr\n0.595007 0.144858 0.632838 Sr\n0.367162 0.404993 0.144858 Sr\n0.144858 0.367162 0.404993 Sr\n0.404993 0.144858 0.367162 Sr\n0.854627 0.145373 0.854627 Sr\n0.145373 0.854627 0.854627 Sr\n0.854627 0.854627 0.145373 Sr\n0.145373 0.145373 0.145373 Sr\n0.354627 0.354627 0.645373 Sr\n0.645373 0.354627 0.354627 Sr\n0.354627 0.645373 0.354627 Sr\n0.645373 0.645373 0.645373 Sr\n0.000000 0.500000 0.250000 Si\n0.500000 0.750000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.500000 0.250000 0.000000 Si\n0.750000 0.000000 0.500000 Si\n0.000000 0.500000 0.750000 Si\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.106340 0.615760 0.351032 As\n0.384240 0.648968 0.106340 As\n0.351032 0.893660 0.384240 As\n0.893660 0.384240 0.351032 As\n0.615760 0.351032 0.106340 As\n0.648968 0.106340 0.384240 As\n0.106340 0.384240 0.648968 As\n0.384240 0.351032 0.893660 As\n0.351032 0.106340 0.615760 As\n0.893660 0.615760 0.648968 As\n0.615760 0.648968 0.893660 As\n0.648968 0.893660 0.615760 As\n0.606340 0.851032 0.115760 As\n0.884240 0.606340 0.148968 As\n0.851032 0.884240 0.393660 As\n0.393660 0.851032 0.884240 As\n0.115760 0.606340 0.851032 As\n0.148968 0.884240 0.606340 As\n0.606340 0.148968 0.884240 As\n0.884240 0.393660 0.851032 As\n0.851032 0.115760 0.606340 As\n0.393660 0.148968 0.115760 As\n0.115760 0.393660 0.148968 As\n0.148968 0.115760 0.393660 As\n0.107430 0.892570 0.107430 As\n0.892570 0.107430 0.107430 As\n0.107430 0.107430 0.892570 As\n0.892570 0.892570 0.892570 As\n0.607430 0.607430 0.392570 As\n0.392570 0.607430 0.607430 As\n0.607430 0.392570 0.607430 As\n0.392570 0.392570 0.392570 As\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Sr",
"Si",
"As"
],
"chemical_system": "As-Si-Sr",
"density": 4.233981702245016,
"density_atomic": 0.03383384612043962,
"volume": 2128.0465644874926,
"volume_molar": 17.79916104885847,
"formula_full": "Sr32 Si8 As32",
"formula_reduced": "Sr4SiAs4",
"formula_anonymous": "AB4C4",
"energy": -319.92599468,
"energy_per_atom": -4.443416592777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.92599468,
"band_gap": 1.1494999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.108315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.138000Z",
"spacegroup": 218
},
{
"id": "mp-695966",
"created_at": "2022-09-04T14:46:01.499074Z",
"structure_string": "Cu2 P6 H24 N2 O26\n1.0\n-7.940678 0.000000 0.000000\n2.336079 9.227100 0.000000\n-0.312691 -3.857205 -8.866934\nCu P H N O\n2 6 24 2 26\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.972612 0.445607 0.766987 P\n0.027388 0.554393 0.233013 P\n0.164553 0.850086 0.199688 P\n0.835447 0.149914 0.800312 P\n0.264123 0.748289 0.882971 P\n0.735877 0.251711 0.117029 P\n0.682300 0.817701 0.895037 H\n0.317700 0.182299 0.104963 H\n0.807315 0.714924 0.903155 H\n0.192685 0.285076 0.096845 H\n0.095124 0.385317 0.545355 H\n0.904876 0.614683 0.454645 H\n0.746588 0.482904 0.590180 H\n0.253412 0.517096 0.409820 H\n0.412739 0.425986 0.690230 H\n0.587261 0.574014 0.309770 H\n0.454399 0.120353 0.382660 H\n0.545601 0.879647 0.617340 H\n0.651789 0.624473 0.117217 H\n0.348211 0.375527 0.882783 H\n0.701479 0.582332 0.054130 H\n0.298521 0.417668 0.945870 H\n0.748316 0.072777 0.466541 H\n0.251684 0.927223 0.533459 H\n0.637469 0.950100 0.294144 H\n0.362531 0.049900 0.705856 H\n0.518772 0.158811 0.341794 H\n0.481228 0.841189 0.658206 H\n0.836513 0.065508 0.298045 H\n0.163487 0.934492 0.701955 H\n0.758556 0.999356 0.352500 N\n0.241444 0.000644 0.647500 N\n0.822802 0.516830 0.813248 O\n0.177198 0.483170 0.186752 O\n0.979523 0.361963 0.592062 O\n0.020477 0.638037 0.407938 O\n0.977832 0.319264 0.837278 O\n0.022168 0.680736 0.162722 O\n0.158796 0.562414 0.830063 O\n0.841204 0.437586 0.169937 O\n0.265086 0.897924 0.344440 O\n0.734914 0.102076 0.655560 O\n0.069056 0.960822 0.177081 O\n0.930944 0.039178 0.822919 O\n0.291109 0.803079 0.063671 O\n0.708891 0.196921 0.936329 O\n0.438718 0.747652 0.822422 O\n0.561282 0.252348 0.177578 O\n0.148354 0.837008 0.848044 O\n0.851646 0.162992 0.151956 O\n0.783437 0.820970 0.954510 O\n0.216563 0.179030 0.045490 O\n0.735180 0.543749 0.530571 O\n0.264820 0.456251 0.469429 O\n0.471426 0.372250 0.601170 O\n0.528574 0.627750 0.398830 O\n0.833429 0.885821 0.357736 O\n0.166571 0.114179 0.642264 O\n",
"nsites": 60,
"nelements": 5,
"elements": [
"Cu",
"P",
"H",
"N",
"O"
],
"chemical_system": "Cu-H-N-O-P",
"density": 1.9965132497158713,
"density_atomic": 0.09235384084062966,
"volume": 649.6751997953064,
"volume_molar": 6.520725835747431,
"formula_full": "Cu2 P6 H24 N2 O26",
"formula_reduced": "CuP3H12NO13",
"formula_anonymous": "ABC3D12E13",
"energy": -346.31475111000003,
"energy_per_atom": -5.771912518500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -327.73075111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.462000Z",
"spacegroup": 2
},
{
"id": "mp-1016226",
"created_at": "2022-09-04T14:46:01.502593Z",
"structure_string": "Rb1 Mg3\n1.0\n3.332475 0.000000 0.000000\n0.000000 5.219822 0.000000\n0.000000 0.000000 7.971050\nRb Mg\n1 3\ndirect\n0.000000 0.000000 0.133379 Rb\n0.500000 0.000000 0.653062 Mg\n0.500000 0.500000 0.439873 Mg\n0.000000 0.500000 0.773686 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.8967888457040059,
"density_atomic": 0.02884840885443343,
"volume": 138.65582743865193,
"volume_molar": 20.875122750745806,
"formula_full": "Rb1 Mg3",
"formula_reduced": "RbMg3",
"formula_anonymous": "AB3",
"energy": -4.8370396,
"energy_per_atom": -1.2092599,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.8370396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.025000Z",
"spacegroup": 25
},
{
"id": "mp-1087488",
"created_at": "2022-09-04T14:46:01.580385Z",
"structure_string": "In2 Mo2 S4\n1.0\n1.601966 -2.774686 0.000000\n1.601966 2.774686 0.000000\n0.000000 0.000000 18.457437\nIn Mo S\n2 2 4\ndirect\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.250000 Mo\n0.000000 0.000000 0.750000 Mo\n0.333333 0.666667 0.335263 S\n0.666667 0.333333 0.664737 S\n0.666667 0.333333 0.835263 S\n0.333333 0.666667 0.164737 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"In",
"Mo",
"S"
],
"chemical_system": "In-Mo-S",
"density": 5.563733853515824,
"density_atomic": 0.048755258037642,
"volume": 164.08486637120282,
"volume_molar": 12.351777023414673,
"formula_full": "In2 Mo2 S4",
"formula_reduced": "InMoS2",
"formula_anonymous": "ABC2",
"energy": -50.22317531,
"energy_per_atom": -6.27789691375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.21117531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0168082,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.807000Z",
"spacegroup": 194
},
{
"id": "mp-7917",
"created_at": "2022-09-04T14:46:06.103578Z",
"structure_string": "Hf2 Ge2 Se2\n1.0\n3.725629 0.000000 0.000000\n0.000000 3.725629 0.000000\n0.000000 0.000000 8.247947\nHf Ge Se\n2 2 2\ndirect\n0.000000 0.500000 0.738750 Hf\n0.500000 0.000000 0.261250 Hf\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.620079 Se\n0.000000 0.500000 0.379921 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ge",
"Se"
],
"chemical_system": "Ge-Hf-Se",
"density": 9.575608648890658,
"density_atomic": 0.05240903677744341,
"volume": 114.48407314714035,
"volume_molar": 11.490653387836923,
"formula_full": "Hf2 Ge2 Se2",
"formula_reduced": "HfGeSe",
"formula_anonymous": "ABC",
"energy": -42.69712379,
"energy_per_atom": -7.116187298333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.75312379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.08e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.994000Z",
"spacegroup": 129
}
]
}