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=energy_per_atom&page=10239",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10237",
"results": [
{
"id": "mp-1095773",
"created_at": "2022-09-04T14:47:01.081934Z",
"structure_string": "La2 Ru1 Au1\n1.0\n-5.067820 5.296818 7.929836\n5.067820 -5.296818 7.929836\n5.067820 5.296818 -7.929836\nLa Ru Au\n2 1 1\ndirect\n0.000000 0.226188 0.226188 La\n0.000000 0.773812 0.773812 La\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ru",
"Au"
],
"chemical_system": "Au-La-Ru",
"density": 1.1230424207601142,
"density_atomic": 0.004697854507593776,
"volume": 851.4525074231781,
"volume_molar": 128.1891712539331,
"formula_full": "La2 Ru1 Au1",
"formula_reduced": "La2RuAu",
"formula_anonymous": "ABC2",
"energy": -16.97766244,
"energy_per_atom": -4.24441561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.97766244,
"band_gap": 0.0517,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.000074,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.179000Z",
"spacegroup": 71
},
{
"id": "mp-27902",
"created_at": "2022-09-04T14:42:15.071255Z",
"structure_string": "Bi6 Se6\n1.0\n2.129161 -3.687815 0.000000\n2.129161 3.687815 0.000000\n0.000000 0.000000 24.159378\nBi Se\n6 6\ndirect\n0.666667 0.333333 0.462917 Bi\n0.333333 0.666667 0.537083 Bi\n0.666667 0.333333 0.713992 Bi\n0.333333 0.666667 0.286008 Bi\n0.000000 0.000000 0.871492 Bi\n0.000000 0.000000 0.128508 Bi\n0.000000 0.000000 0.649287 Se\n0.000000 0.000000 0.350713 Se\n0.666667 0.333333 0.208304 Se\n0.333333 0.666667 0.791696 Se\n0.666667 0.333333 0.934327 Se\n0.333333 0.666667 0.065673 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.5615282304922715,
"density_atomic": 0.03162917560750395,
"volume": 379.3965466856185,
"volume_molar": 19.03982839998922,
"formula_full": "Bi6 Se6",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy": -50.93205476,
"energy_per_atom": -4.244337896666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.10005475999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.31e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.733000Z",
"spacegroup": 164
},
{
"id": "mp-1094130",
"created_at": "2022-09-04T14:41:53.253923Z",
"structure_string": "Li1 N1 O3\n1.0\n3.560890 -2.061322 0.000000\n3.560890 2.061322 0.000000\n2.367636 0.000000 3.365009\nLi N O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Li",
"N",
"O"
],
"chemical_system": "Li-N-O",
"density": 2.317591665417597,
"density_atomic": 0.10121604938198493,
"volume": 49.39928035651954,
"volume_molar": 5.9497883949932735,
"formula_full": "Li1 N1 O3",
"formula_reduced": "LiNO3",
"formula_anonymous": "ABC3",
"energy": -21.22164759,
"energy_per_atom": -4.244329518,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.16064759,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.1578998,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.948000Z",
"spacegroup": 166
},
{
"id": "mp-1192837",
"created_at": "2022-09-04T14:40:59.976615Z",
"structure_string": "Al2 Sb10 Se10 Cl8\n1.0\n9.701918 0.000000 0.000000\n-1.664839 9.697470 0.000000\n-4.135789 -3.657085 10.593688\nAl Sb Se Cl\n2 10 10 8\ndirect\n0.925799 0.623233 0.300456 Al\n0.074201 0.376767 0.699544 Al\n0.780678 0.232573 0.939041 Sb\n0.219322 0.767427 0.060959 Sb\n0.904827 0.025234 0.808727 Sb\n0.095173 0.974766 0.191273 Sb\n0.578300 0.814040 0.915286 Sb\n0.421700 0.185960 0.084714 Sb\n0.424783 0.880543 0.685298 Sb\n0.575217 0.119457 0.314702 Sb\n0.702261 0.622586 0.584803 Sb\n0.297739 0.377414 0.415197 Sb\n0.720401 0.078309 0.076491 Se\n0.279599 0.921691 0.923509 Se\n0.501819 0.162085 0.772967 Se\n0.498181 0.837915 0.227033 Se\n0.844926 0.806163 0.889004 Se\n0.155074 0.193837 0.110996 Se\n0.642900 0.889194 0.595796 Se\n0.357100 0.110806 0.404204 Se\n0.495546 0.514458 0.655160 Se\n0.504454 0.485542 0.344840 Se\n0.161250 0.674300 0.316760 Cl\n0.838750 0.325700 0.683240 Cl\n0.905004 0.794792 0.439050 Cl\n0.094996 0.205208 0.560950 Cl\n0.876308 0.414885 0.329600 Cl\n0.123692 0.585115 0.670400 Cl\n0.772590 0.606724 0.114098 Cl\n0.227410 0.393276 0.885902 Cl\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Al",
"Sb",
"Se",
"Cl"
],
"chemical_system": "Al-Cl-Sb-Se",
"density": 3.9065131161403293,
"density_atomic": 0.030099413421886493,
"volume": 996.6971641442618,
"volume_molar": 20.007502058565237,
"formula_full": "Al2 Sb10 Se10 Cl8",
"formula_reduced": "AlSb5Se5Cl4",
"formula_anonymous": "AB4C5D5",
"energy": -127.32830164,
"energy_per_atom": -4.244276721333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.69630164,
"band_gap": 1.3956,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0057747,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:08.464000Z",
"spacegroup": 2
},
{
"id": "mp-1220873",
"created_at": "2022-09-04T14:39:36.921411Z",
"structure_string": "Na1 Sb1 S2\n1.0\n4.006242 0.000000 0.000000\n0.000000 4.006242 0.000000\n0.000000 0.000000 5.433003\nNa Sb S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Sb",
"S"
],
"chemical_system": "Na-S-Sb",
"density": 3.977692188733761,
"density_atomic": 0.04587178998014883,
"volume": 87.19956212153511,
"volume_molar": 13.128200932656217,
"formula_full": "Na1 Sb1 S2",
"formula_reduced": "NaSbS2",
"formula_anonymous": "ABC2",
"energy": -16.97694609,
"energy_per_atom": -4.2442365225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.97094609,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.884000Z",
"spacegroup": 123
},
{
"id": "mp-1112065",
"created_at": "2022-09-04T14:39:46.194139Z",
"structure_string": "K2 Sc1 Au1 Cl6\n1.0\n0.000000 5.223132 5.223132\n5.223132 0.000000 5.223132\n5.223132 5.223132 0.000000\nK Sc Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.760851 0.239149 0.239149 Cl\n0.239149 0.239149 0.760851 Cl\n0.239149 0.760851 0.760851 Cl\n0.239149 0.760851 0.239149 Cl\n0.760851 0.239149 0.760851 Cl\n0.760851 0.760851 0.239149 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Sc",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-K-Sc",
"density": 3.104706405077791,
"density_atomic": 0.03508948544126063,
"volume": 284.9856552254059,
"volume_molar": 17.162237303482236,
"formula_full": "K2 Sc1 Au1 Cl6",
"formula_reduced": "K2ScAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.44221087,
"energy_per_atom": -4.244221087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.75821087,
"band_gap": 2.0353000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.668000Z",
"spacegroup": 225
},
{
"id": "mp-998607",
"created_at": "2022-09-04T14:42:48.748325Z",
"structure_string": "Rb1 Tl1 F3\n1.0\n-0.018344 -4.745899 -0.090565\n-4.749465 0.006318 -0.049288\n0.018174 0.036053 -4.749028\nRb Tl F\n1 1 3\ndirect\n0.991984 0.996498 0.992344 Rb\n0.485986 0.498669 0.494845 Tl\n0.485128 0.998921 0.495011 F\n0.985284 0.508070 0.512691 F\n0.491620 0.497843 0.995107 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"F"
],
"chemical_system": "F-Rb-Tl",
"density": 5.379426316614818,
"density_atomic": 0.046700313079960774,
"volume": 107.06566338086313,
"volume_molar": 12.895289908846705,
"formula_full": "Rb1 Tl1 F3",
"formula_reduced": "RbTlF3",
"formula_anonymous": "ABC3",
"energy": -21.2210051,
"energy_per_atom": -4.24420102,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.8350051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.599000Z",
"spacegroup": 8
},
{
"id": "mp-1396255",
"created_at": "2022-09-04T14:41:09.345958Z",
"structure_string": "Zn1 Cr2 F12\n1.0\n-5.134839 0.000000 0.000000\n2.560749 4.737425 0.000000\n-0.004645 -2.797259 -8.421031\nZn Cr F\n1 2 12\ndirect\n0.500000 0.500000 0.500000 Zn\n0.751858 0.252905 0.239892 Cr\n0.248142 0.747095 0.760108 Cr\n0.918838 0.079629 0.190620 F\n0.420038 0.578504 0.687265 F\n0.526114 0.898411 0.366750 F\n0.027066 0.404146 0.863104 F\n0.454536 0.186956 0.083023 F\n0.953507 0.685891 0.579035 F\n0.046493 0.314109 0.420965 F\n0.545464 0.813044 0.916977 F\n0.972934 0.595854 0.136896 F\n0.473886 0.101589 0.633250 F\n0.579962 0.421496 0.312735 F\n0.081162 0.920371 0.809380 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Zn",
"Cr",
"F"
],
"chemical_system": "Cr-F-Zn",
"density": 3.221238535588402,
"density_atomic": 0.0732245673495698,
"volume": 204.8492813674252,
"volume_molar": 8.224208046529865,
"formula_full": "Zn1 Cr2 F12",
"formula_reduced": "ZnCr2F12",
"formula_anonymous": "AB2C12",
"energy": -63.65973252999999,
"energy_per_atom": -4.243982168666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.11773253,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9476186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.028000Z",
"spacegroup": 2
},
{
"id": "mp-1186832",
"created_at": "2022-09-04T14:41:14.825365Z",
"structure_string": "Pr1 Nd1 In2\n1.0\n0.000000 3.895726 3.895726\n3.895726 0.000000 3.895726\n3.895726 3.895726 0.000000\nPr Nd In\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 In\n0.250000 0.250000 0.250000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Nd",
"In"
],
"chemical_system": "In-Nd-Pr",
"density": 7.229034917059724,
"density_atomic": 0.03382710131452429,
"volume": 118.24838205343141,
"volume_molar": 17.802710034200548,
"formula_full": "Pr1 Nd1 In2",
"formula_reduced": "PrNdIn2",
"formula_anonymous": "ABC2",
"energy": -16.9759094,
"energy_per_atom": -4.24397735,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.9759094,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.833000Z",
"spacegroup": 225
},
{
"id": "mp-1047384",
"created_at": "2022-09-04T14:42:41.847714Z",
"structure_string": "Bi2 F10\n1.0\n1.910273 -5.795742 0.000000\n1.910273 5.795742 0.000000\n0.000000 0.000000 8.930967\nBi F\n2 10\ndirect\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.508091 0.491909 0.250000 F\n0.491909 0.508091 0.750000 F\n0.926782 0.073218 0.592021 F\n0.073218 0.926782 0.407979 F\n0.667148 0.332852 0.935830 F\n0.332852 0.667148 0.064170 F\n0.332852 0.667148 0.435830 F\n0.667148 0.332852 0.564170 F\n0.926782 0.073218 0.907979 F\n0.073218 0.926782 0.092021 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 5.10481850978885,
"density_atomic": 0.06068037890153622,
"volume": 197.75749949537973,
"volume_molar": 9.924362485890049,
"formula_full": "Bi2 F10",
"formula_reduced": "BiF5",
"formula_anonymous": "AB5",
"energy": -50.92715174999999,
"energy_per_atom": -4.2439293125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.30715175,
"band_gap": 0.4034,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001589,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.617000Z",
"spacegroup": 63
},
{
"id": "mp-1235117",
"created_at": "2022-09-04T14:48:05.571314Z",
"structure_string": "Li1 P4 Br12 O4\n1.0\n6.684284 -0.277425 -0.073755\n-0.446266 10.103718 -0.125553\n-0.126832 -0.126464 10.750304\nLi P Br O\n1 4 12 4\ndirect\n0.086622 0.050745 0.047812 Li\n0.390176 0.314848 0.244987 P\n0.614062 0.691750 0.745476 P\n0.899984 0.187843 0.744721 P\n0.110463 0.813424 0.245162 P\n0.806371 0.655693 0.586883 Br\n0.881911 0.990799 0.234851 Br\n0.299221 0.835927 0.431106 Br\n0.716325 0.152823 0.912981 Br\n0.200606 0.351696 0.403572 Br\n0.803911 0.662570 0.910737 Br\n0.383237 0.523292 0.742162 Br\n0.703071 0.127259 0.585510 Br\n0.115347 0.033761 0.760566 Br\n0.189499 0.335149 0.077280 Br\n0.305520 0.862023 0.048157 Br\n0.612746 0.485488 0.240268 Br\n0.531778 0.822635 0.744097 O\n0.998308 0.323967 0.740835 O\n0.472216 0.183904 0.242923 O\n0.993209 0.681902 0.235061 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"P",
"Br",
"O"
],
"chemical_system": "Br-Li-O-P",
"density": 2.644237718925151,
"density_atomic": 0.028985761138431734,
"volume": 724.493653960201,
"volume_molar": 20.77620363750029,
"formula_full": "Li1 P4 Br12 O4",
"formula_reduced": "LiP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -89.12124161000001,
"energy_per_atom": -4.243868648095239,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.96524161,
"band_gap": 0.3568,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.0010205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.306000Z",
"spacegroup": 1
},
{
"id": "mp-631586",
"created_at": "2022-09-04T14:46:59.287452Z",
"structure_string": "B2 Ir1 Cl1\n1.0\n0.000000 2.850219 2.850219\n2.850219 0.000000 2.850219\n2.850219 2.850219 0.000000\nB Ir Cl\n2 1 1\ndirect\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Ir",
"Cl"
],
"chemical_system": "B-Cl-Ir",
"density": 8.939078500536343,
"density_atomic": 0.08637644050113588,
"volume": 46.30892378515411,
"volume_molar": 6.971971436957752,
"formula_full": "B2 Ir1 Cl1",
"formula_reduced": "B2IrCl",
"formula_anonymous": "ABC2",
"energy": -16.97546807,
"energy_per_atom": -4.2438670175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.36146807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0589009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.154000Z",
"spacegroup": 225
}
]
}