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=decomposes_to&page=11576",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=11574",
"results": [
{
"id": "mp-1224328",
"created_at": "2022-09-04T14:46:23.405116Z",
"structure_string": "Hf1 Nb1 B4\n1.0\n1.566021 -2.712428 0.000000\n1.566021 2.712428 0.000000\n0.000000 0.000000 6.806400\nHf Nb B\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Nb\n0.666667 0.333333 0.746242 B\n0.666667 0.333333 0.253758 B\n0.333333 0.666667 0.746242 B\n0.333333 0.666667 0.253758 B\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Nb",
"B"
],
"chemical_system": "B-Hf-Nb",
"density": 9.035668538986577,
"density_atomic": 0.10376430607149352,
"volume": 57.82335204811185,
"volume_molar": 5.803672754146065,
"formula_full": "Hf1 Nb1 B4",
"formula_reduced": "HfNbB4",
"formula_anonymous": "ABC4",
"energy": -51.94194068,
"energy_per_atom": -8.656990113333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.94194068,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019522,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.021000Z",
"spacegroup": 191
},
{
"id": "mp-1103679",
"created_at": "2022-09-04T14:46:23.437429Z",
"structure_string": "Cu2 W2 O8\n1.0\n-5.472930 0.000000 0.000000\n-0.464673 -6.412628 0.000000\n1.997026 3.040508 5.651324\nCu W O\n2 2 8\ndirect\n0.580980 0.771444 0.366343 Cu\n0.419020 0.228556 0.633657 Cu\n0.741818 0.312661 0.350937 W\n0.258182 0.687339 0.649063 W\n0.437476 0.463930 0.280101 O\n0.562524 0.536070 0.719899 O\n0.220293 0.868334 0.925829 O\n0.779707 0.131666 0.074171 O\n0.642386 0.083324 0.419984 O\n0.357614 0.916676 0.580016 O\n0.908318 0.629134 0.420097 O\n0.091682 0.370866 0.579903 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cu",
"W",
"O"
],
"chemical_system": "Cu-O-W",
"density": 5.2139718388828875,
"density_atomic": 0.060502747755398247,
"volume": 198.33809942837385,
"volume_molar": 9.953499606904524,
"formula_full": "Cu2 W2 O8",
"formula_reduced": "CuWO4",
"formula_anonymous": "ABC4",
"energy": -92.65931308,
"energy_per_atom": -7.721609423333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.28731308,
"band_gap": 0.6442,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0001482,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.662000Z",
"spacegroup": 2
},
{
"id": "mp-1208994",
"created_at": "2022-09-04T14:46:23.465245Z",
"structure_string": "Sc1 Tl1 S2 O8\n1.0\n2.526876 -4.376677 0.000000\n2.526876 4.376677 0.000000\n0.000000 0.000000 8.743150\nSc Tl S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Tl\n0.333333 0.666667 0.210467 S\n0.666667 0.333333 0.789533 S\n0.094395 0.362384 0.150948 O\n0.637616 0.732011 0.150948 O\n0.362384 0.094395 0.849052 O\n0.267989 0.905605 0.150948 O\n0.732011 0.637616 0.849052 O\n0.905605 0.267989 0.849052 O\n0.333333 0.666667 0.377671 O\n0.666667 0.333333 0.622329 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Sc",
"Tl",
"S",
"O"
],
"chemical_system": "O-S-Sc-Tl",
"density": 3.7906915267709094,
"density_atomic": 0.06205187282867808,
"volume": 193.3865885584366,
"volume_molar": 9.70501047829259,
"formula_full": "Sc1 Tl1 S2 O8",
"formula_reduced": "ScTl(SO4)2",
"formula_anonymous": "ABC2D8",
"energy": -84.27916907999999,
"energy_per_atom": -7.023264089999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.78316908,
"band_gap": 4.2982000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.664000Z",
"spacegroup": 150
},
{
"id": "mp-1222838",
"created_at": "2022-09-04T14:46:23.476327Z",
"structure_string": "La1 Y1 Ni10\n1.0\n3.955606 0.000000 0.000000\n0.000000 4.922744 0.000000\n0.000000 0.000000 8.494539\nLa Y Ni\n1 1 10\ndirect\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.336742 Ni\n0.000000 0.000000 0.829776 Ni\n0.000000 0.000000 0.170224 Ni\n0.000000 0.500000 0.663258 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.753001 0.255501 Ni\n0.500000 0.246999 0.744499 Ni\n0.500000 0.246999 0.255501 Ni\n0.500000 0.753001 0.744499 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"La",
"Y",
"Ni"
],
"chemical_system": "La-Ni-Y",
"density": 8.179200961534564,
"density_atomic": 0.07254728313634558,
"volume": 165.40936450297062,
"volume_molar": 8.30098730049197,
"formula_full": "La1 Y1 Ni10",
"formula_reduced": "LaYNi10",
"formula_anonymous": "ABC10",
"energy": -72.78470544,
"energy_per_atom": -6.065392119999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.78470544,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8650469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.846000Z",
"spacegroup": 47
},
{
"id": "mp-38975",
"created_at": "2022-09-04T14:46:23.480267Z",
"structure_string": "P3 N3 O3\n1.0\n2.391806 -4.142729 0.000000\n2.391806 4.142729 0.000000\n0.000000 0.000000 5.281207\nP N O\n3 3 3\ndirect\n0.985906 0.461916 0.328176 P\n0.538084 0.523990 0.994842 P\n0.476010 0.014094 0.661509 P\n0.388331 0.260582 0.782152 N\n0.872251 0.611669 0.115486 N\n0.739418 0.127749 0.448819 N\n0.146478 0.720287 0.556338 O\n0.279713 0.426191 0.223005 O\n0.573809 0.853522 0.889671 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"P",
"N",
"O"
],
"chemical_system": "N-O-P",
"density": 2.9025594786090627,
"density_atomic": 0.08599374208405014,
"volume": 104.65877843998712,
"volume_molar": 7.002998839280619,
"formula_full": "P3 N3 O3",
"formula_reduced": "PNO",
"formula_anonymous": "ABC",
"energy": -69.07204481000001,
"energy_per_atom": -7.674671645555557,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.92804481,
"band_gap": 5.1318,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.62e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.422000Z",
"spacegroup": 145
},
{
"id": "mp-1032663",
"created_at": "2022-09-04T14:46:23.491615Z",
"structure_string": "Ba1 Y1 Mg6 O8\n1.0\n9.075521 -0.000000 0.000000\n0.000000 4.763733 0.000000\n0.000000 0.000000 4.763733\nBa Y Mg O\n1 1 6 8\ndirect\n0.000000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.278044 -0.000000 0.500000 Mg\n0.721956 0.000000 0.500000 Mg\n0.278044 0.500000 -0.000000 Mg\n0.721956 0.500000 0.000000 Mg\n0.261169 0.000000 -0.000000 O\n0.738831 -0.000000 0.000000 O\n0.284099 0.500000 0.500000 O\n0.715901 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Mg",
"O"
],
"chemical_system": "Ba-Mg-O-Y",
"density": 4.031838527059515,
"density_atomic": 0.07768793767822507,
"volume": 205.95217839698935,
"volume_molar": 7.7517063008456315,
"formula_full": "Ba1 Y1 Mg6 O8",
"formula_reduced": "BaYMg6O8",
"formula_anonymous": "ABC6D8",
"energy": -100.39255169,
"energy_per_atom": -6.274534480625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.89655169,
"band_gap": 0.7773000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.204748,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.064000Z",
"spacegroup": 123
},
{
"id": "mp-1232392",
"created_at": "2022-09-04T14:46:24.064777Z",
"structure_string": "Pm4 Mg2 S8\n1.0\n-4.158298 4.158298 4.376839\n4.158298 -4.158298 4.376839\n4.158298 4.158298 -4.376839\nPm Mg S\n4 2 8\ndirect\n0.875000 0.757387 0.382387 Pm\n0.507387 0.125000 0.882387 Pm\n0.375000 0.492613 0.617613 Pm\n0.242613 0.625000 0.117613 Pm\n0.000000 0.000000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.506659 0.377046 0.266287 S\n0.759628 0.493341 0.870388 S\n0.110760 0.240372 0.733713 S\n0.622954 0.889240 0.129612 S\n0.243341 0.009628 0.370388 S\n0.990372 0.360760 0.233713 S\n0.639240 0.872954 0.629612 S\n0.127046 0.756659 0.766287 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pm",
"Mg",
"S"
],
"chemical_system": "Mg-Pm-S",
"density": 4.855169279100271,
"density_atomic": 0.046246221404159016,
"volume": 302.72743534331113,
"volume_molar": 13.021908768222989,
"formula_full": "Pm4 Mg2 S8",
"formula_reduced": "Pm2MgS4",
"formula_anonymous": "AB2C4",
"energy": -84.59468351,
"energy_per_atom": -6.042477393571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.57068351,
"band_gap": 2.1096000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003263,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.097000Z",
"spacegroup": 122
},
{
"id": "mp-1195478",
"created_at": "2022-09-04T14:46:23.346447Z",
"structure_string": "Ni6 H36 C12 O36\n1.0\n0.000000 -5.451669 0.000000\n-9.491622 0.000000 2.750765\n0.026165 0.000000 -15.144149\nNi H C O\n6 36 12 36\ndirect\n0.626206 0.955928 0.822160 Ni\n0.126206 0.044072 0.677840 Ni\n0.373794 0.044072 0.177840 Ni\n0.873794 0.955928 0.322160 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.000000 Ni\n0.747788 0.823061 0.943995 H\n0.247788 0.176939 0.556005 H\n0.252212 0.176939 0.056005 H\n0.752212 0.823061 0.443995 H\n0.735629 0.984498 0.003951 H\n0.235629 0.015502 0.496049 H\n0.264371 0.015502 0.996049 H\n0.764371 0.984498 0.503951 H\n0.153072 0.950131 0.839565 H\n0.653072 0.049869 0.660435 H\n0.846928 0.049869 0.160435 H\n0.346928 0.950131 0.339565 H\n0.254190 0.795540 0.836399 H\n0.754190 0.204460 0.663601 H\n0.745810 0.204460 0.163601 H\n0.245810 0.795540 0.336399 H\n0.607413 0.816620 0.574823 H\n0.107413 0.183380 0.925177 H\n0.392587 0.183380 0.425177 H\n0.892587 0.816620 0.074823 H\n0.929384 0.621205 0.469982 H\n0.429384 0.378795 0.030018 H\n0.070616 0.378795 0.530018 H\n0.570616 0.621205 0.969982 H\n0.791419 0.553384 0.376484 H\n0.291419 0.446616 0.123516 H\n0.208582 0.446616 0.623516 H\n0.708581 0.553384 0.876484 H\n0.652734 0.455957 0.702316 H\n0.152734 0.544043 0.797684 H\n0.347266 0.544043 0.297684 H\n0.847266 0.455957 0.202316 H\n0.491797 0.357464 0.744821 H\n0.991797 0.642536 0.755179 H\n0.508203 0.642536 0.255179 H\n0.008203 0.357464 0.244821 H\n0.485448 0.815849 0.633184 C\n0.985448 0.184151 0.866816 C\n0.514552 0.184151 0.366816 C\n0.014552 0.815849 0.133184 C\n0.614329 0.708406 0.674460 C\n0.114329 0.291594 0.825540 C\n0.385671 0.291594 0.325540 C\n0.885671 0.708406 0.174460 C\n0.238309 0.763600 0.586423 C\n0.738309 0.236400 0.913577 C\n0.761691 0.236400 0.413577 C\n0.261691 0.763600 0.086423 C\n0.774569 0.920806 0.942854 O\n0.274569 0.079194 0.557146 O\n0.225431 0.079194 0.057146 O\n0.725431 0.920806 0.442854 O\n0.285956 0.896941 0.864277 O\n0.785956 0.103059 0.635723 O\n0.714044 0.103059 0.135723 O\n0.214044 0.896941 0.364277 O\n0.468182 0.950802 0.695593 O\n0.968182 0.049198 0.804407 O\n0.531818 0.049198 0.304407 O\n0.031818 0.950802 0.195593 O\n0.710747 0.753844 0.753452 O\n0.210747 0.246156 0.746548 O\n0.289253 0.246156 0.246548 O\n0.789253 0.753844 0.253452 O\n0.635524 0.580077 0.627805 O\n0.135524 0.419923 0.872195 O\n0.364476 0.419923 0.372195 O\n0.864476 0.580077 0.127805 O\n0.052675 0.842367 0.609056 O\n0.552675 0.157633 0.890944 O\n0.947325 0.157633 0.390944 O\n0.447325 0.842367 0.109056 O\n0.228425 0.647610 0.522628 O\n0.728425 0.352390 0.977372 O\n0.771575 0.352390 0.477372 O\n0.271575 0.647610 0.022628 O\n0.767495 0.617924 0.438549 O\n0.267495 0.382076 0.061451 O\n0.232505 0.382076 0.561451 O\n0.732505 0.617924 0.938549 O\n0.660247 0.392604 0.742309 O\n0.160247 0.607396 0.757691 O\n0.339753 0.607396 0.257691 O\n0.839753 0.392604 0.242309 O\n",
"nsites": 90,
"nelements": 4,
"elements": [
"Ni",
"H",
"C",
"O"
],
"chemical_system": "C-H-Ni-O",
"density": 2.350218812556446,
"density_atomic": 0.11490666842441259,
"volume": 783.2443602627241,
"volume_molar": 5.240897541086972,
"formula_full": "Ni6 H36 C12 O36",
"formula_reduced": "NiH6(CO3)2",
"formula_anonymous": "AB2C6D6",
"energy": -558.40572215,
"energy_per_atom": -6.204508023888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -518.42772215,
"band_gap": 4.0189,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000594,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.601000Z",
"spacegroup": 14
},
{
"id": "mp-1034591",
"created_at": "2022-09-04T14:46:23.348464Z",
"structure_string": "Mg14 Si1 C1 O16\n1.0\n8.512883 0.000000 0.000000\n0.000000 8.512883 0.000000\n0.000000 -0.000000 4.306844\nMg Si C O\n14 1 1 16\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.000000 Mg\n0.000000 0.254680 0.500000 Mg\n0.000000 0.745320 0.500000 Mg\n0.500000 0.258398 0.500000 Mg\n0.500000 0.741602 0.500000 Mg\n0.254680 -0.000000 0.500000 Mg\n0.258398 0.500000 0.500000 Mg\n0.745320 -0.000000 0.500000 Mg\n0.741602 0.500000 0.500000 Mg\n0.256726 0.256726 0.000000 Mg\n0.256726 0.743274 0.000000 Mg\n0.743274 0.256726 -0.000000 Mg\n0.743274 0.743274 0.000000 Mg\n0.000000 -0.000000 0.000000 Si\n0.500000 0.500000 0.000000 C\n0.245268 -0.000000 0.000000 O\n0.240696 0.500000 0.000000 O\n0.754732 -0.000000 -0.000000 O\n0.759304 0.500000 0.000000 O\n0.249654 0.249654 0.500000 O\n0.249654 0.750346 0.500000 O\n0.750346 0.249654 0.500000 O\n0.750346 0.750346 0.500000 O\n0.000000 -0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 -0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.245268 -0.000000 O\n0.000000 0.754732 0.000000 O\n0.500000 0.240696 0.000000 O\n0.500000 0.759304 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Si",
"C",
"O"
],
"chemical_system": "C-Mg-O-Si",
"density": 3.3856119573145005,
"density_atomic": 0.10252682485377745,
"volume": 312.11344002545695,
"volume_molar": 5.873722090378499,
"formula_full": "Mg14 Si1 C1 O16",
"formula_reduced": "Mg14SiCO16",
"formula_anonymous": "ABC14D16",
"energy": -198.79150799,
"energy_per_atom": -6.2122346246875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.79950799,
"band_gap": 2.7097000000000007,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0024141,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:30.861000Z",
"spacegroup": 123
},
{
"id": "mp-1216035",
"created_at": "2022-09-04T14:46:23.367755Z",
"structure_string": "Zn1 Fe2 Cu6 Sn3 S12\n1.0\n-2.710961 2.710961 16.360676\n2.710961 -2.710961 16.360676\n2.710961 2.710961 -16.360676\nZn Fe Cu Sn S\n1 2 6 3 12\ndirect\n0.750000 0.250000 0.500000 Zn\n0.416710 0.916710 0.500000 Fe\n0.083290 0.583290 0.500000 Fe\n0.916664 0.416664 0.500000 Cu\n0.583336 0.083336 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.833426 0.833426 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.166574 0.166574 0.000000 Cu\n0.333459 0.333459 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.666541 0.666541 0.000000 Sn\n0.116216 0.112313 0.473719 S\n0.781429 0.778210 0.471213 S\n0.442165 0.450057 0.472484 S\n0.638595 0.642497 0.526281 S\n0.306997 0.310216 0.528787 S\n0.977573 0.969682 0.527516 S\n0.689784 0.218571 0.996781 S\n0.357503 0.883784 0.996097 S\n0.030318 0.557835 0.007892 S\n0.221790 0.693003 0.003219 S\n0.887687 0.361405 0.003903 S\n0.549943 0.022427 0.992108 S\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Zn",
"Fe",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Fe-S-Sn-Zn",
"density": 4.485860324843103,
"density_atomic": 0.04990033561272262,
"volume": 480.95868906102,
"volume_molar": 12.068337188627227,
"formula_full": "Zn1 Fe2 Cu6 Sn3 S12",
"formula_reduced": "ZnFe2Cu6(SnS4)3",
"formula_anonymous": "AB2C3D6E12",
"energy": -119.35576291,
"energy_per_atom": -4.9731567879166665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.31976291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9918682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.950000Z",
"spacegroup": 82
},
{
"id": "mp-1222185",
"created_at": "2022-09-04T14:46:23.377656Z",
"structure_string": "Mg3 Cu1 Sn2 S8\n1.0\n-3.713840 3.801431 5.254941\n3.713840 -3.801431 5.254941\n3.713840 3.801431 -5.254941\nMg Cu Sn S\n3 1 2 8\ndirect\n0.984881 0.984881 0.000000 Mg\n0.375512 0.625792 0.250280 Mg\n0.375512 0.125232 0.749720 Mg\n0.763536 0.263536 0.500000 Cu\n0.873632 0.624541 0.249091 Sn\n0.375450 0.624541 0.750909 Sn\n0.131812 0.871100 0.739288 S\n0.131812 0.392523 0.260712 S\n0.595007 0.864395 0.730612 S\n0.133784 0.864395 0.269388 S\n0.622937 0.374408 0.751470 S\n0.622937 0.871467 0.248530 S\n0.140267 0.381594 0.758673 S\n0.622922 0.381594 0.241327 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Cu",
"Sn",
"S"
],
"chemical_system": "Cu-Mg-S-Sn",
"density": 3.5275067520622634,
"density_atomic": 0.047176954161168475,
"volume": 296.75506291000556,
"volume_molar": 12.765005429190776,
"formula_full": "Mg3 Cu1 Sn2 S8",
"formula_reduced": "Mg3Cu(SnS4)2",
"formula_anonymous": "AB2C3D8",
"energy": -64.46122005,
"energy_per_atom": -4.604372860714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.43722004999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9310773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.636000Z",
"spacegroup": 44
},
{
"id": "mp-1247245",
"created_at": "2022-09-04T14:46:23.383221Z",
"structure_string": "Dy1 Mg2 V3 S8\n1.0\n6.427823 0.041429 3.763084\n2.179425 6.052414 3.766912\n0.040748 0.033527 7.455595\nDy Mg V S\n1 2 3 8\ndirect\n0.500001 0.500017 0.499976 Dy\n0.873797 0.873829 0.873875 Mg\n0.126204 0.126168 0.126136 Mg\n0.500018 0.500000 0.999974 V\n0.999996 0.499984 0.500025 V\n0.499989 0.999991 0.500022 V\n0.738260 0.738083 0.737851 S\n0.244854 0.244857 0.722241 S\n0.244594 0.722406 0.244799 S\n0.722399 0.244745 0.244943 S\n0.755395 0.277582 0.755188 S\n0.277597 0.755252 0.755052 S\n0.261748 0.261931 0.262148 S\n0.755154 0.755151 0.277771 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Dy",
"Mg",
"V",
"S"
],
"chemical_system": "Dy-Mg-S-V",
"density": 3.5783909532199876,
"density_atomic": 0.048624683406869915,
"volume": 287.91961240866436,
"volume_molar": 12.384945953497281,
"formula_full": "Dy1 Mg2 V3 S8",
"formula_reduced": "DyMg2V3S8",
"formula_anonymous": "AB2C3D8",
"energy": -88.64574252,
"energy_per_atom": -6.331838751428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.62174252,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.546000Z",
"spacegroup": 166
}
]
}