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&page=10401",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy&page=10399",
"results": [
{
"id": "mp-661",
"created_at": "2022-09-04T14:45:38.267279Z",
"structure_string": "Al2 N2\n1.0\n1.564294 -2.709437 0.000000\n1.564294 2.709437 0.000000\n0.000000 0.000000 5.016955\nAl N\n2 2\ndirect\n0.666667 0.333333 0.499287 Al\n0.333333 0.666667 0.999287 Al\n0.666667 0.333333 0.880713 N\n0.333333 0.666667 0.380713 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"N"
],
"chemical_system": "Al-N",
"density": 3.200889713142437,
"density_atomic": 0.09405726654690266,
"volume": 42.52728307818043,
"volume_molar": 6.4026321209292165,
"formula_full": "Al2 N2",
"formula_reduced": "AlN",
"formula_anonymous": "AB",
"energy": -30.50172953,
"energy_per_atom": -7.6254323825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.77972953,
"band_gap": 4.0467,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001187,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.719000Z",
"spacegroup": 186
},
{
"id": "mp-865600",
"created_at": "2022-09-04T14:43:24.331861Z",
"structure_string": "Y2 Ir1 Pd1\n1.0\n0.000000 3.476520 3.476520\n3.476520 0.000000 3.476520\n3.476520 3.476520 0.000000\nY Ir Pd\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Y\n0.250000 0.250000 0.250000 Y\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Ir",
"Pd"
],
"chemical_system": "Ir-Pd-Y",
"density": 9.414582198101037,
"density_atomic": 0.047598777549941934,
"volume": 84.0357716288636,
"volume_molar": 12.651881140605775,
"formula_full": "Y2 Ir1 Pd1",
"formula_reduced": "Y2IrPd",
"formula_anonymous": "ABC2",
"energy": -30.50103929,
"energy_per_atom": -7.6252598225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.50103929,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004659,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.292000Z",
"spacegroup": 225
},
{
"id": "mp-1205951",
"created_at": "2022-09-04T14:46:26.465944Z",
"structure_string": "Tb3 Mg3 In3\n1.0\n3.782336 -6.551199 0.000000\n3.782336 6.551199 0.000000\n0.000000 0.000000 4.678369\nTb Mg In\n3 3 3\ndirect\n0.569742 0.000000 0.000000 Tb\n0.000000 0.569742 0.000000 Tb\n0.430258 0.430258 0.000000 Tb\n0.242948 0.000000 0.500000 Mg\n0.000000 0.242948 0.500000 Mg\n0.757052 0.757052 0.500000 Mg\n0.333333 0.666667 0.500000 In\n0.666667 0.333333 0.500000 In\n0.000000 0.000000 0.000000 In\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"Mg",
"In"
],
"chemical_system": "In-Mg-Tb",
"density": 6.404005659801561,
"density_atomic": 0.03881835634166993,
"volume": 231.84907472083938,
"volume_molar": 15.51364181160725,
"formula_full": "Tb3 Mg3 In3",
"formula_reduced": "TbMgIn",
"formula_anonymous": "ABC",
"energy": -30.50094092,
"energy_per_atom": -3.3889934355555558,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.50094092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.028000Z",
"spacegroup": 189
},
{
"id": "mp-1027981",
"created_at": "2022-09-04T14:44:13.113756Z",
"structure_string": "Mg14 Zn1 Fe1\n1.0\n6.254495 0.000000 0.000000\n-3.127248 5.416551 -0.000000\n0.000000 0.000000 9.770715\nMg Zn Fe\n14 1 1\ndirect\n0.167415 0.833707 0.125000 Mg\n0.166000 0.832999 0.625000 Mg\n0.666293 0.332585 0.125000 Mg\n0.667001 0.334000 0.625000 Mg\n0.666293 0.833707 0.125000 Mg\n0.667001 0.832999 0.625000 Mg\n0.324279 0.175721 0.381770 Mg\n0.324279 0.175721 0.868230 Mg\n0.324279 0.648558 0.381770 Mg\n0.324279 0.648558 0.868230 Mg\n0.851442 0.175721 0.381770 Mg\n0.851442 0.175721 0.868230 Mg\n0.833333 0.666667 0.373409 Mg\n0.833333 0.666667 0.876591 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Fe\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Fe"
],
"chemical_system": "Fe-Mg-Zn",
"density": 2.3152716582272737,
"density_atomic": 0.04833687289346295,
"volume": 331.0102421243686,
"volume_molar": 12.458689194216431,
"formula_full": "Mg14 Zn1 Fe1",
"formula_reduced": "Mg14ZnFe",
"formula_anonymous": "ABC14",
"energy": -30.4999838,
"energy_per_atom": -1.9062489875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.4999838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0288576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.576000Z",
"spacegroup": 187
},
{
"id": "mp-608311",
"created_at": "2022-09-04T14:42:19.807597Z",
"structure_string": "Cs2 Li3 I5\n1.0\n4.637473 -0.000522 1.040052\n1.678626 7.994630 3.368076\n-0.019559 0.071541 10.936552\nCs Li I\n2 3 5\ndirect\n0.681250 0.859411 0.772938 Cs\n0.314040 0.145019 0.226813 Cs\n0.046024 0.695052 0.205871 Li\n0.507874 0.500398 0.497406 Li\n0.943674 0.311751 0.793872 Li\n0.356748 0.477119 0.803558 I\n0.098476 0.243068 0.561794 I\n0.896980 0.763865 0.437688 I\n0.634039 0.527169 0.199361 I\n0.998076 0.002595 0.999532 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Li",
"I"
],
"chemical_system": "Cs-I-Li",
"density": 3.7800861159387393,
"density_atomic": 0.024712648466602198,
"volume": 404.6510843835478,
"volume_molar": 24.368657888443625,
"formula_full": "Cs2 Li3 I5",
"formula_reduced": "Cs2Li3I5",
"formula_anonymous": "A2B3C5",
"energy": -30.4984525,
"energy_per_atom": -3.0498452499999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.6034525,
"band_gap": 3.8262,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0017189,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.071000Z",
"spacegroup": 5
},
{
"id": "mp-19338",
"created_at": "2022-09-04T14:45:21.170721Z",
"structure_string": "Li1 Mo1 O2\n1.0\n5.023205 -1.605904 0.000000\n5.023205 1.605904 0.000000\n4.509802 0.000000 2.733716\nLi Mo O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mo\n0.255127 0.255127 0.255127 O\n0.744873 0.744873 0.744873 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O",
"density": 5.0782273282545605,
"density_atomic": 0.09069349092331425,
"volume": 44.10459845880444,
"volume_molar": 6.640102502054985,
"formula_full": "Li1 Mo1 O2",
"formula_reduced": "LiMoO2",
"formula_anonymous": "ABC2",
"energy": -30.49821827,
"energy_per_atom": -7.6245545675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.92221827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999601,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:07.150000Z",
"spacegroup": 166
},
{
"id": "mp-1023510",
"created_at": "2022-09-04T14:40:53.981833Z",
"structure_string": "Y1 Mg15\n1.0\n3.262082 -5.650092 0.000000\n3.262082 5.650092 0.000000\n0.000000 0.000000 10.323181\nY Mg\n1 15\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.006362 0.503181 0.500000 Mg\n0.999580 0.499790 0.000000 Mg\n0.496819 0.503181 0.500000 Mg\n0.500210 0.499790 0.000000 Mg\n0.496819 0.993638 0.500000 Mg\n0.500210 0.000420 0.000000 Mg\n0.166833 0.333666 0.248063 Mg\n0.166833 0.333666 0.751937 Mg\n0.166833 0.833167 0.248063 Mg\n0.166833 0.833167 0.751937 Mg\n0.666334 0.833167 0.248063 Mg\n0.666334 0.833167 0.751937 Mg\n0.666667 0.333333 0.252364 Mg\n0.666667 0.333333 0.747636 Mg\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 1.9788556647011895,
"density_atomic": 0.04204613221721594,
"volume": 380.53440723969237,
"volume_molar": 14.322698527628692,
"formula_full": "Y1 Mg15",
"formula_reduced": "YMg15",
"formula_anonymous": "AB15",
"energy": -30.4977944,
"energy_per_atom": -1.90611215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.4977944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006463,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.977000Z",
"spacegroup": 187
},
{
"id": "mp-1206443",
"created_at": "2022-09-04T14:39:26.069799Z",
"structure_string": "La3 Sn1 C1\n1.0\n5.217808 0.000000 0.000000\n0.000000 5.217808 0.000000\n0.000000 0.000000 5.217808\nLa Sn C\n3 1 1\ndirect\n0.500000 0.000000 0.000000 La\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Sn",
"C"
],
"chemical_system": "C-La-Sn",
"density": 6.3991022372065824,
"density_atomic": 0.03519700593864221,
"volume": 142.05753775523795,
"volume_molar": 17.109809767621147,
"formula_full": "La3 Sn1 C1",
"formula_reduced": "La3SnC",
"formula_anonymous": "ABC3",
"energy": -30.49765298,
"energy_per_atom": -6.099530596,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.49765298,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039367,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.469000Z",
"spacegroup": 221
},
{
"id": "mp-989528",
"created_at": "2022-09-04T14:43:11.801004Z",
"structure_string": "Rb2 Al1 In1 H6\n1.0\n0.000000 4.321232 4.321232\n4.321232 0.000000 4.321232\n4.321232 4.321232 0.000000\nRb Al In H\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 In\n0.207208 0.792792 0.792792 H\n0.207208 0.792792 0.207208 H\n0.792792 0.207208 0.792792 H\n0.792792 0.792792 0.207208 H\n0.207208 0.207208 0.792792 H\n0.792792 0.207208 0.207208 H\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"In",
"H"
],
"chemical_system": "Al-H-In-Rb",
"density": 3.280131108385728,
"density_atomic": 0.06196511411165681,
"volume": 161.38112780653802,
"volume_molar": 9.71859867658522,
"formula_full": "Rb2 Al1 In1 H6",
"formula_reduced": "Rb2AlInH6",
"formula_anonymous": "ABC2D6",
"energy": -30.49743803,
"energy_per_atom": -3.049743803,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.42343803,
"band_gap": 0.1400999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.204000Z",
"spacegroup": 225
},
{
"id": "mp-1080534",
"created_at": "2022-09-04T14:44:41.934065Z",
"structure_string": "Cs2 Li3 I5\n1.0\n2.374101 8.479890 0.000000\n-2.374101 8.479890 0.000000\n0.000000 4.829014 10.111079\nCs Li I\n2 3 5\ndirect\n0.312698 0.312698 0.232580 Cs\n0.687302 0.687302 0.767420 Cs\n0.500000 0.500000 0.500000 Li\n0.050306 0.050306 0.203349 Li\n0.949694 0.949694 0.796651 Li\n0.000000 0.000000 0.000000 I\n0.099384 0.099384 0.565005 I\n0.900616 0.900616 0.434995 I\n0.636040 0.636040 0.204500 I\n0.363960 0.363960 0.795500 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Li",
"I"
],
"chemical_system": "Cs-I-Li",
"density": 3.7572102065521835,
"density_atomic": 0.02456309517874452,
"volume": 407.11481705503553,
"volume_molar": 24.51702733787073,
"formula_full": "Cs2 Li3 I5",
"formula_reduced": "Cs2Li3I5",
"formula_anonymous": "A2B3C5",
"energy": -30.497326290000004,
"energy_per_atom": -3.049732629,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.60232629,
"band_gap": 3.8691,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016929,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.669000Z",
"spacegroup": 12
},
{
"id": "mp-1224101",
"created_at": "2022-09-04T14:41:46.374606Z",
"structure_string": "In1 Ag2 Bi1 Se4\n1.0\n2.053353 6.763993 0.000000\n-2.053353 6.763993 0.000000\n0.000000 1.255547 6.962788\nIn Ag Bi Se\n1 2 1 4\ndirect\n0.500000 0.500000 0.000000 In\n0.251454 0.251454 0.751237 Ag\n0.748546 0.748546 0.248763 Ag\n0.000000 0.000000 0.500000 Bi\n0.124024 0.124024 0.111831 Se\n0.628533 0.628533 0.635038 Se\n0.875976 0.875976 0.888169 Se\n0.371467 0.371467 0.364962 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Ag",
"Bi",
"Se"
],
"chemical_system": "Ag-Bi-In-Se",
"density": 7.343880722641314,
"density_atomic": 0.04136281167196418,
"volume": 193.4104495469398,
"volume_molar": 14.559311895331872,
"formula_full": "In1 Ag2 Bi1 Se4",
"formula_reduced": "InAg2BiSe4",
"formula_anonymous": "ABC2D4",
"energy": -30.49693969,
"energy_per_atom": -3.81211746125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.60893969,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00221,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.955000Z",
"spacegroup": 12
},
{
"id": "mp-865066",
"created_at": "2022-09-04T14:40:16.497683Z",
"structure_string": "Hf1 In1 Rh2\n1.0\n0.000000 3.247709 3.247709\n3.247709 0.000000 3.247709\n3.247709 3.247709 0.000000\nHf In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Rh\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"In",
"Rh"
],
"chemical_system": "Hf-In-Rh",
"density": 12.09739546024419,
"density_atomic": 0.05838464840340814,
"volume": 68.51116020023004,
"volume_molar": 10.314596258917378,
"formula_full": "Hf1 In1 Rh2",
"formula_reduced": "HfInRh2",
"formula_anonymous": "ABC2",
"energy": -30.49683355,
"energy_per_atom": -7.6242083875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.49683355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0739039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.966000Z",
"spacegroup": 225
}
]
}