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=-density&page=12123",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=12121",
"results": [
{
"id": "mp-1208168",
"created_at": "2022-09-04T14:45:37.219695Z",
"structure_string": "U1 P4\n1.0\n6.685101 0.000000 0.000000\n0.000000 6.685101 0.000000\n0.000000 0.000000 26.211303\nU P\n1 4\ndirect\n0.500000 0.500000 0.000000 U\n0.500000 0.500000 0.645704 P\n0.500000 0.500000 0.354296 P\n0.500000 0.500000 0.281659 P\n0.500000 0.500000 0.718341 P\n",
"nsites": 5,
"nelements": 2,
"elements": [
"U",
"P"
],
"chemical_system": "P-U",
"density": 0.5130525767979597,
"density_atomic": 0.0042684033034167766,
"volume": 1171.3982125347889,
"volume_molar": 141.0864984379379,
"formula_full": "U1 P4",
"formula_reduced": "UP4",
"formula_anonymous": "AB4",
"energy": -22.68844106,
"energy_per_atom": -4.537688212,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.68844106,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.036000Z",
"spacegroup": 123
},
{
"id": "mp-1096672",
"created_at": "2022-09-04T14:44:06.844368Z",
"structure_string": "Sc2 Ag1 Pb1\n1.0\n-5.549150 6.504284 9.090211\n5.549150 -6.504284 9.090211\n5.549150 6.504284 -9.090211\nSc Ag Pb\n2 1 1\ndirect\n0.000000 0.255001 0.255001 Sc\n0.000000 0.744999 0.744999 Sc\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Sc",
"density": 0.5124161198424384,
"density_atomic": 0.0030478955203485244,
"volume": 1312.3809439316356,
"volume_molar": 197.5835693774494,
"formula_full": "Sc2 Ag1 Pb1",
"formula_reduced": "Sc2AgPb",
"formula_anonymous": "ABC2",
"energy": -11.76214882,
"energy_per_atom": -2.940537205,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.76214882,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006289,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.025000Z",
"spacegroup": 71
},
{
"id": "mp-1096322",
"created_at": "2022-09-04T14:46:37.245813Z",
"structure_string": "Sc2 Ag1 Rh1\n1.0\n-5.079058 5.781341 8.300991\n5.079058 -5.781341 8.300991\n5.079058 5.781341 -8.300991\nSc Ag Rh\n2 1 1\ndirect\n0.000000 0.220703 0.220703 Sc\n0.000000 0.779297 0.779297 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ag",
"Rh"
],
"chemical_system": "Ag-Rh-Sc",
"density": 0.5121060717534336,
"density_atomic": 0.004102591715343893,
"volume": 974.9934376944714,
"volume_molar": 146.78869304680993,
"formula_full": "Sc2 Ag1 Rh1",
"formula_reduced": "Sc2AgRh",
"formula_anonymous": "ABC2",
"energy": -15.85535923,
"energy_per_atom": -3.9638398075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.85535923,
"band_gap": 0.3464,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5943369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.957000Z",
"spacegroup": 71
},
{
"id": "mp-1093862",
"created_at": "2022-09-04T14:40:34.439943Z",
"structure_string": "Cr1 Si2 Tc1\n1.0\n-4.725313 4.994644 7.085090\n4.725313 -4.994644 7.085090\n4.725313 4.994644 -7.085090\nCr Si Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.255760 0.255760 Si\n0.000000 0.744240 0.744240 Si\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Si",
"Tc"
],
"chemical_system": "Cr-Si-Tc",
"density": 0.5118326392142047,
"density_atomic": 0.005980252329252192,
"volume": 668.868097828271,
"volume_molar": 100.70044587488245,
"formula_full": "Cr1 Si2 Tc1",
"formula_reduced": "CrSi2Tc",
"formula_anonymous": "ABC2",
"energy": -20.20326575,
"energy_per_atom": -5.0508164375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.20326575,
"band_gap": 0.5173999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0687546,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.785000Z",
"spacegroup": 71
},
{
"id": "mp-1096009",
"created_at": "2022-09-04T14:39:41.282917Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-6.358477 6.439894 9.075325\n6.358477 -6.439894 9.075325\n6.358477 6.439894 -9.075325\nNa Tl Pb\n2 1 1\ndirect\n0.000000 0.253706 0.253706 Na\n0.000000 0.746294 0.746294 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Tl",
"Pb"
],
"chemical_system": "Na-Pb-Tl",
"density": 0.51114702958938,
"density_atomic": 0.0026909522390361237,
"volume": 1486.462651389445,
"volume_molar": 223.79218302875117,
"formula_full": "Na2 Tl1 Pb1",
"formula_reduced": "Na2TlPb",
"formula_anonymous": "ABC2",
"energy": -4.81971031,
"energy_per_atom": -1.2049275775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.81971031,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999334,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 71
},
{
"id": "mp-1097440",
"created_at": "2022-09-04T14:39:06.043753Z",
"structure_string": "Ca1 Sc1 Rh2\n1.0\n-4.754107 5.927602 8.382780\n4.754107 -5.927602 8.382780\n4.754107 5.927602 -8.382780\nCa Sc Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sc\n0.000000 0.270543 0.270543 Rh\n0.000000 0.729457 0.729457 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Rh"
],
"chemical_system": "Ca-Rh-Sc",
"density": 0.5111101673100065,
"density_atomic": 0.0042331527841500535,
"volume": 944.9221901408724,
"volume_molar": 142.26136090689545,
"formula_full": "Ca1 Sc1 Rh2",
"formula_reduced": "CaScRh2",
"formula_anonymous": "ABC2",
"energy": -16.66854802,
"energy_per_atom": -4.167137005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.66854802,
"band_gap": 0.5997999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006904,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.584000Z",
"spacegroup": 71
},
{
"id": "mp-1096670",
"created_at": "2022-09-04T14:48:00.690637Z",
"structure_string": "Sc1 Al2 Os1\n1.0\n-5.213054 5.597166 8.049185\n5.213054 -5.597166 8.049185\n5.213054 5.597166 -8.049185\nSc Al Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.272448 0.272448 Al\n0.000000 0.727552 0.727552 Al\n0.000000 0.500000 0.500000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Os"
],
"chemical_system": "Al-Os-Sc",
"density": 0.5110912718947861,
"density_atomic": 0.0042578237470407565,
"volume": 939.4470597285886,
"volume_molar": 141.4370607563422,
"formula_full": "Sc1 Al2 Os1",
"formula_reduced": "ScAl2Os",
"formula_anonymous": "ABC2",
"energy": -13.66251927,
"energy_per_atom": -3.4156298175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.66251927,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0957665,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:26.304000Z",
"spacegroup": 71
},
{
"id": "mp-1097243",
"created_at": "2022-09-04T14:47:01.446076Z",
"structure_string": "K1 Ba1 Hg2\n1.0\n-6.776174 7.248446 9.558704\n6.776174 -7.248446 9.558704\n6.776174 7.248446 -9.558704\nK Ba Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Ba\n0.752628 0.000000 0.752628 Hg\n0.247372 0.000000 0.247372 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Ba",
"Hg"
],
"chemical_system": "Ba-Hg-K",
"density": 0.5107305133177036,
"density_atomic": 0.002129960402156392,
"volume": 1877.9691847559052,
"volume_molar": 282.7348693385627,
"formula_full": "K1 Ba1 Hg2",
"formula_reduced": "KBaHg2",
"formula_anonymous": "ABC2",
"energy": -1.37969846,
"energy_per_atom": -0.344924615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.37969846,
"band_gap": 0.1607,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9992037,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.963000Z",
"spacegroup": 71
},
{
"id": "mp-1096733",
"created_at": "2022-09-04T14:40:13.317856Z",
"structure_string": "Li2 In1 Bi1\n1.0\n-5.714559 5.823070 8.249197\n5.714559 -5.823070 8.249197\n5.714559 5.823070 -8.249197\nLi In Bi\n2 1 1\ndirect\n0.000000 0.257740 0.257740 Li\n0.000000 0.742260 0.742260 Li\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Bi"
],
"chemical_system": "Bi-In-Li",
"density": 0.5106796508156266,
"density_atomic": 0.0036429532084682917,
"volume": 1098.0102601103217,
"volume_molar": 165.30930855771427,
"formula_full": "Li2 In1 Bi1",
"formula_reduced": "Li2InBi",
"formula_anonymous": "ABC2",
"energy": -6.70619587,
"energy_per_atom": -1.6765489675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.70619587,
"band_gap": 0.0009000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000892,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.329000Z",
"spacegroup": 71
},
{
"id": "mp-1096027",
"created_at": "2022-09-04T14:42:39.621391Z",
"structure_string": "Ti2 Zn1 Rh1\n1.0\n-5.005911 5.820380 7.368866\n5.005911 -5.820380 7.368866\n5.005911 5.820380 -7.368866\nTi Zn Rh\n2 1 1\ndirect\n0.000000 0.282624 0.282624 Ti\n0.000000 0.717376 0.717376 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Rh"
],
"chemical_system": "Rh-Ti-Zn",
"density": 0.5105493034034988,
"density_atomic": 0.004657628838760051,
"volume": 858.806087490835,
"volume_molar": 129.29627861036707,
"formula_full": "Ti2 Zn1 Rh1",
"formula_reduced": "Ti2ZnRh",
"formula_anonymous": "ABC2",
"energy": -14.84066438,
"energy_per_atom": -3.710166095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.84066438,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2058952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.924000Z",
"spacegroup": 71
},
{
"id": "mp-1097182",
"created_at": "2022-09-04T14:44:24.679321Z",
"structure_string": "Sr2 P1 Au1\n1.0\n-5.707383 6.378396 9.006537\n5.707383 -6.378396 9.006537\n5.707383 6.378396 -9.006537\nSr P Au\n2 1 1\ndirect\n0.000000 0.231486 0.231486 Sr\n0.000000 0.768514 0.768514 Sr\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"P",
"Au"
],
"chemical_system": "Au-P-Sr",
"density": 0.5104839706411288,
"density_atomic": 0.003049956648789958,
"volume": 1311.4940507718243,
"volume_molar": 197.4500444912628,
"formula_full": "Sr2 P1 Au1",
"formula_reduced": "Sr2PAu",
"formula_anonymous": "ABC2",
"energy": -10.05232078,
"energy_per_atom": -2.513080195,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.05232078,
"band_gap": 0.6848000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.43e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.240000Z",
"spacegroup": 71
},
{
"id": "mp-1096328",
"created_at": "2022-09-04T14:41:17.182597Z",
"structure_string": "Y2 Zn1 Pb1\n1.0\n-6.021600 6.561869 9.270305\n6.021600 -6.561869 9.270305\n6.021600 6.561869 -9.270305\nY Zn Pb\n2 1 1\ndirect\n0.000000 0.263925 0.263925 Y\n0.000000 0.736075 0.736075 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Pb"
],
"chemical_system": "Pb-Y-Zn",
"density": 0.5104743976477104,
"density_atomic": 0.0027300243333160173,
"volume": 1465.188405533884,
"volume_molar": 220.5892704511253,
"formula_full": "Y2 Zn1 Pb1",
"formula_reduced": "Y2ZnPb",
"formula_anonymous": "ABC2",
"energy": -10.30454488,
"energy_per_atom": -2.57613622,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.30454488,
"band_gap": 0.1936,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.587000Z",
"spacegroup": 71
}
]
}