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=12119",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12117",
"results": [
{
"id": "mp-1102082",
"created_at": "2022-09-04T14:46:20.909403Z",
"structure_string": "Bi8 Se4\n1.0\n11.859796 0.000000 0.000000\n0.000000 4.268913 0.000000\n0.000000 1.993611 7.224782\nBi Se\n8 4\ndirect\n0.637963 0.466028 0.972998 Bi\n0.137963 0.033972 0.027002 Bi\n0.362037 0.533972 0.027002 Bi\n0.862037 0.966028 0.972998 Bi\n0.623819 0.823952 0.331419 Bi\n0.123819 0.676048 0.668581 Bi\n0.376181 0.176048 0.668581 Bi\n0.876181 0.323952 0.331419 Bi\n0.111192 0.353822 0.348225 Se\n0.611192 0.146178 0.651775 Se\n0.888808 0.646178 0.651775 Se\n0.388808 0.853822 0.348225 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 9.02354096824111,
"density_atomic": 0.03280665684540902,
"volume": 365.7794226502932,
"volume_molar": 18.35645975259665,
"formula_full": "Bi8 Se4",
"formula_reduced": "Bi2Se",
"formula_anonymous": "AB2",
"energy": -47.7665489,
"energy_per_atom": -3.9805457416666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.8785489,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013619,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.922000Z",
"spacegroup": 14
},
{
"id": "mp-1096681",
"created_at": "2022-09-04T14:46:20.912388Z",
"structure_string": "Cd1 Sb1 Rh2\n1.0\n-5.134021 5.428849 7.743852\n5.134021 -5.428849 7.743852\n5.134021 5.428849 -7.743852\nCd Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 Sb\n0.000000 0.268943 0.268943 Rh\n0.000000 0.731057 0.731057 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cd",
"Sb",
"Rh"
],
"chemical_system": "Cd-Rh-Sb",
"density": 0.8462556252163537,
"density_atomic": 0.004633162716434627,
"volume": 863.3411440119102,
"volume_molar": 129.97904732847886,
"formula_full": "Cd1 Sb1 Rh2",
"formula_reduced": "CdSbRh2",
"formula_anonymous": "ABC2",
"energy": -12.02648318,
"energy_per_atom": -3.006620795,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.02648318,
"band_gap": 0.0660000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0000467,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.893000Z",
"spacegroup": 71
},
{
"id": "mp-1028145",
"created_at": "2022-09-04T14:46:20.915268Z",
"structure_string": "Ca1 Hf1 Mg14\n1.0\n6.489611 -0.035685 0.000000\n-3.275710 5.673695 0.000000\n0.000000 0.000000 10.327988\nCa Hf Mg\n1 1 14\ndirect\n0.167198 0.333599 0.125000 Ca\n0.182479 0.841239 0.125000 Hf\n0.166555 0.333277 0.625000 Mg\n0.165995 0.832997 0.625000 Mg\n0.663648 0.333409 0.125000 Mg\n0.666869 0.334075 0.625000 Mg\n0.663648 0.830238 0.125000 Mg\n0.666869 0.832793 0.625000 Mg\n0.332483 0.159175 0.378546 Mg\n0.332483 0.159175 0.871454 Mg\n0.332483 0.673309 0.378546 Mg\n0.332483 0.673309 0.871454 Mg\n0.825769 0.162885 0.380249 Mg\n0.825769 0.162885 0.869751 Mg\n0.837634 0.668818 0.370788 Mg\n0.837634 0.668818 0.879212 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Hf",
"Mg"
],
"chemical_system": "Ca-Hf-Mg",
"density": 2.4480236640030326,
"density_atomic": 0.04220856303553259,
"volume": 379.07000023977747,
"volume_molar": 14.267580620857334,
"formula_full": "Ca1 Hf1 Mg14",
"formula_reduced": "CaHfMg14",
"formula_anonymous": "ABC14",
"energy": -33.32761599,
"energy_per_atom": -2.082975999375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.32761599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.649000Z",
"spacegroup": 38
},
{
"id": "mp-1173957",
"created_at": "2022-09-04T14:46:21.219096Z",
"structure_string": "Li3 Mn2 Co1 O6\n1.0\n3.075755 0.000000 0.000000\n1.130362 5.004779 0.000000\n1.040385 1.632143 7.393325\nLi Mn Co O\n3 2 1 6\ndirect\n0.349806 0.490909 0.834008 Li\n0.000000 0.500000 0.500000 Li\n0.650194 0.509091 0.165992 Li\n0.654432 0.002028 0.668667 Mn\n0.345568 0.997972 0.331333 Mn\n0.000000 0.000000 0.000000 Co\n0.625249 0.777812 0.912185 O\n0.353202 0.769189 0.575350 O\n0.036877 0.764096 0.239665 O\n0.963123 0.235904 0.760335 O\n0.646798 0.230811 0.424650 O\n0.374751 0.222188 0.087815 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.167489141115228,
"density_atomic": 0.10543985621993307,
"volume": 113.80895640610176,
"volume_molar": 5.71144629355207,
"formula_full": "Li3 Mn2 Co1 O6",
"formula_reduced": "Li3Mn2CoO6",
"formula_anonymous": "AB2C3D6",
"energy": -84.45850797,
"energy_per_atom": -7.0382089975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.36250797,
"band_gap": 0.7244000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9997215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.383000Z",
"spacegroup": 2
},
{
"id": "mp-1208990",
"created_at": "2022-09-04T14:46:20.899944Z",
"structure_string": "Sc4 Co2 B4 Ir10\n1.0\n9.369153 0.000000 0.000000\n0.000000 9.369153 0.000000\n0.000000 0.000000 3.053059\nSc Co B Ir\n4 2 4 10\ndirect\n0.675853 0.175853 0.000000 Sc\n0.324147 0.824147 0.000000 Sc\n0.175853 0.324147 0.000000 Sc\n0.824147 0.675853 0.000000 Sc\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.125922 0.625922 0.000000 B\n0.874078 0.374078 0.000000 B\n0.625922 0.874078 0.000000 B\n0.374078 0.125922 0.000000 B\n0.215022 0.071040 0.500000 Ir\n0.784978 0.928960 0.500000 Ir\n0.071040 0.784978 0.500000 Ir\n0.715022 0.428960 0.500000 Ir\n0.928960 0.215022 0.500000 Ir\n0.284978 0.571040 0.500000 Ir\n0.571040 0.715022 0.500000 Ir\n0.428960 0.284978 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Co",
"B",
"Ir"
],
"chemical_system": "B-Co-Ir-Sc",
"density": 14.022251675454235,
"density_atomic": 0.07462668262086614,
"volume": 268.000657373558,
"volume_molar": 8.069688412380492,
"formula_full": "Sc4 Co2 B4 Ir10",
"formula_reduced": "Sc2CoB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy": -167.27564918,
"energy_per_atom": -8.363782459,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.27564918,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0556328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.446000Z",
"spacegroup": 127
},
{
"id": "mp-861940",
"created_at": "2022-09-04T14:46:20.920436Z",
"structure_string": "Ca2 Cd1 Sn1\n1.0\n0.000000 3.855001 3.855001\n3.855001 0.000000 3.855001\n3.855001 3.855001 0.000000\nCa Cd Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Cd",
"Sn"
],
"chemical_system": "Ca-Cd-Sn",
"density": 4.511205892739617,
"density_atomic": 0.03491053549450529,
"volume": 114.57859191617315,
"volume_molar": 17.25021021504482,
"formula_full": "Ca2 Cd1 Sn1",
"formula_reduced": "Ca2CdSn",
"formula_anonymous": "ABC2",
"energy": -11.18594929,
"energy_per_atom": -2.7964873225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.18594929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.003000Z",
"spacegroup": 225
},
{
"id": "mp-29639",
"created_at": "2022-09-04T14:46:20.933021Z",
"structure_string": "Te7 Pd20\n1.0\n5.141004 -6.017008 0.000000\n5.141004 6.017008 0.000000\n-1.901276 0.000000 7.682412\nTe Pd\n7 20\ndirect\n0.000000 0.000000 0.000000 Te\n0.454343 0.878843 0.724310 Te\n0.878843 0.724310 0.454343 Te\n0.724310 0.454343 0.878843 Te\n0.545657 0.121157 0.275690 Te\n0.121157 0.275690 0.545657 Te\n0.275690 0.545657 0.121157 Te\n0.379824 0.379824 0.379824 Pd\n0.620176 0.620176 0.620176 Pd\n0.008665 0.334201 0.222980 Pd\n0.334201 0.222980 0.008665 Pd\n0.222980 0.008665 0.334201 Pd\n0.991335 0.665799 0.777020 Pd\n0.665799 0.777020 0.991335 Pd\n0.777020 0.991335 0.665799 Pd\n0.686722 0.144693 0.987753 Pd\n0.144693 0.987753 0.686722 Pd\n0.987753 0.686722 0.144693 Pd\n0.313278 0.855307 0.012247 Pd\n0.855307 0.012247 0.313278 Pd\n0.012247 0.313278 0.855307 Pd\n0.217770 0.677681 0.463691 Pd\n0.677681 0.463691 0.217770 Pd\n0.463691 0.217770 0.677681 Pd\n0.782230 0.322319 0.536309 Pd\n0.322319 0.536309 0.782230 Pd\n0.536309 0.782230 0.322319 Pd\n",
"nsites": 27,
"nelements": 2,
"elements": [
"Te",
"Pd"
],
"chemical_system": "Pd-Te",
"density": 10.556742994134634,
"density_atomic": 0.05680775721784478,
"volume": 475.28720235268514,
"volume_molar": 10.60091271849805,
"formula_full": "Te7 Pd20",
"formula_reduced": "Te7Pd20",
"formula_anonymous": "A7B20",
"energy": -133.5927891,
"energy_per_atom": -4.947881077777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.5927891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0048454,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.409000Z",
"spacegroup": 148
},
{
"id": "mp-1022199",
"created_at": "2022-09-04T14:46:21.006169Z",
"structure_string": "Mg12 Ga2 Fe2\n1.0\n4.841390 0.000000 0.000000\n0.000000 6.114612 0.000000\n0.000000 0.000000 10.482232\nMg Ga Fe\n12 2 2\ndirect\n0.000000 0.253865 0.085119 Mg\n0.000000 0.746135 0.085119 Mg\n0.000000 0.500000 0.833881 Mg\n0.500000 0.238665 0.911020 Mg\n0.500000 0.761335 0.911020 Mg\n0.500000 0.500000 0.666860 Mg\n0.000000 0.753865 0.585119 Mg\n0.000000 0.246135 0.585119 Mg\n0.000000 0.000000 0.333881 Mg\n0.500000 0.738665 0.411020 Mg\n0.500000 0.261335 0.411020 Mg\n0.500000 0.000000 0.166860 Mg\n0.500000 0.500000 0.175761 Ga\n0.500000 0.000000 0.675761 Ga\n0.000000 0.500000 0.331220 Fe\n0.000000 0.000000 0.831220 Fe\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Mg",
"density": 2.9046445587146463,
"density_atomic": 0.051561701696821956,
"volume": 310.3078345644704,
"volume_molar": 11.679484116737711,
"formula_full": "Mg12 Ga2 Fe2",
"formula_reduced": "Mg6GaFe",
"formula_anonymous": "ABC6",
"energy": -40.62281643,
"energy_per_atom": -2.538926026875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.62281643,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.6882815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.184000Z",
"spacegroup": 38
},
{
"id": "mp-12607",
"created_at": "2022-09-04T14:46:21.007798Z",
"structure_string": "Pr2 Pt2\n1.0\n1.979967 -5.495955 0.000000\n1.979967 5.495955 0.000000\n0.000000 0.000000 4.592038\nPr Pt\n2 2\ndirect\n0.862785 0.137215 0.250000 Pr\n0.137215 0.862785 0.750000 Pr\n0.587716 0.412284 0.250000 Pt\n0.412284 0.587716 0.750000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pr",
"Pt"
],
"chemical_system": "Pr-Pt",
"density": 11.165315220098027,
"density_atomic": 0.0400242684057399,
"volume": 99.93936577305078,
"volume_molar": 15.046223203760952,
"formula_full": "Pr2 Pt2",
"formula_reduced": "PrPt",
"formula_anonymous": "AB",
"energy": -26.12990201,
"energy_per_atom": -6.5324755025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.12990201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040479,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:25.472000Z",
"spacegroup": 63
},
{
"id": "mp-569981",
"created_at": "2022-09-04T14:46:21.030638Z",
"structure_string": "Dy4 Al12\n1.0\n3.061836 -5.303255 0.000000\n3.061836 5.303255 0.000000\n0.000000 0.000000 9.550526\nDy Al\n4 12\ndirect\n0.000000 0.000000 0.500000 Dy\n0.666667 0.333333 0.750000 Dy\n0.333333 0.666667 0.250000 Dy\n0.000000 0.000000 0.000000 Dy\n0.183431 0.816569 0.750000 Al\n0.633138 0.816569 0.750000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.816569 0.633138 0.250000 Al\n0.366862 0.183431 0.250000 Al\n0.183431 0.366862 0.750000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.816569 0.183431 0.250000 Al\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 5.213477944254949,
"density_atomic": 0.05158676101689102,
"volume": 310.15709621236215,
"volume_molar": 11.673810569398174,
"formula_full": "Dy4 Al12",
"formula_reduced": "DyAl3",
"formula_anonymous": "AB3",
"energy": -70.21008607,
"energy_per_atom": -4.388130379375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.21008607,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.2e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.044000Z",
"spacegroup": 194
},
{
"id": "mp-3887",
"created_at": "2022-09-04T14:46:21.035369Z",
"structure_string": "Li24 Ga8 N16\n1.0\n-4.837709 4.837709 4.837709\n4.837709 -4.837709 4.837709\n4.837709 4.837709 -4.837709\nLi Ga N\n24 8 16\ndirect\n0.738952 0.763119 0.231089 Li\n0.032031 0.507864 0.268911 Li\n0.761048 0.992136 0.024167 Li\n0.268911 0.032031 0.507864 Li\n0.763119 0.231089 0.738952 Li\n0.736881 0.475833 0.467969 Li\n0.475833 0.467969 0.736881 Li\n0.507864 0.268911 0.032031 Li\n0.024167 0.761048 0.992136 Li\n0.992136 0.024167 0.761048 Li\n0.231089 0.738952 0.763119 Li\n0.467969 0.736881 0.475833 Li\n0.261048 0.236881 0.768911 Li\n0.967969 0.492136 0.731089 Li\n0.238952 0.007864 0.975833 Li\n0.731089 0.967969 0.492136 Li\n0.236881 0.768911 0.261048 Li\n0.263119 0.524167 0.532031 Li\n0.524167 0.532031 0.263119 Li\n0.532031 0.263119 0.524167 Li\n0.975833 0.238952 0.007864 Li\n0.007864 0.975833 0.238952 Li\n0.768911 0.261048 0.236881 Li\n0.492136 0.731089 0.967969 Li\n0.500000 0.000000 0.235850 Ga\n0.000000 0.235850 0.500000 Ga\n0.264150 0.264150 0.264150 Ga\n0.235850 0.500000 0.000000 Ga\n0.500000 0.000000 0.764150 Ga\n0.000000 0.764150 0.500000 Ga\n0.735850 0.735850 0.735850 Ga\n0.764150 0.500000 0.000000 Ga\n0.772800 0.522800 0.250000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.477200 0.750000 0.227200 N\n0.227200 0.477200 0.750000 N\n0.250000 0.272800 0.022800 N\n0.272800 0.022800 0.250000 N\n0.977200 0.750000 0.727200 N\n0.250000 0.772800 0.522800 N\n0.727200 0.977200 0.750000 N\n0.750000 0.727200 0.977200 N\n0.750000 0.227200 0.477200 N\n0.522800 0.250000 0.772800 N\n0.022800 0.250000 0.272800 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Ga",
"N"
],
"chemical_system": "Ga-Li-N",
"density": 3.4777300110128544,
"density_atomic": 0.10598929983873069,
"volume": 452.87590420009366,
"volume_molar": 5.681838420635915,
"formula_full": "Li24 Ga8 N16",
"formula_reduced": "Li3GaN2",
"formula_anonymous": "AB2C3",
"energy": -234.71844713,
"energy_per_atom": -4.889967648541666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.94244713,
"band_gap": 3.4252,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.000795,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.565000Z",
"spacegroup": 206
},
{
"id": "mp-621667",
"created_at": "2022-09-04T14:46:21.040431Z",
"structure_string": "Eu6 Ag4\n1.0\n8.540175 0.000000 0.000000\n0.000000 8.540175 0.000000\n0.000000 0.000000 4.524774\nEu Ag\n6 4\ndirect\n0.669285 0.169285 0.500000 Eu\n0.830715 0.669285 0.500000 Eu\n0.169285 0.330715 0.500000 Eu\n0.000000 0.000000 0.000000 Eu\n0.330715 0.830715 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n0.877175 0.377175 0.000000 Ag\n0.377175 0.122825 0.000000 Ag\n0.122825 0.622825 0.000000 Ag\n0.622825 0.877175 0.000000 Ag\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Eu",
"Ag"
],
"chemical_system": "Ag-Eu",
"density": 6.758926330367993,
"density_atomic": 0.030301879552750054,
"volume": 330.01253214645715,
"volume_molar": 19.8738192114999,
"formula_full": "Eu6 Ag4",
"formula_reduced": "Eu3Ag2",
"formula_anonymous": "A2B3",
"energy": -75.69914428,
"energy_per_atom": -7.569914428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.69914428,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 43.2248529,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:33.192000Z",
"spacegroup": 127
}
]
}