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_atomic&page=11477",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=11475",
"results": [
{
"id": "mp-1014111",
"created_at": "2022-09-04T14:39:10.515461Z",
"structure_string": "Ni2\n1.0\n1.208342 -2.092910 0.000000\n1.208342 2.092910 0.000000\n0.000000 0.000000 13.515347\nNi\n2\ndirect\n0.333333 0.666667 0.425238 Ni\n0.666667 0.333333 0.574762 Ni\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 2.8514826991109197,
"density_atomic": 0.02925717405140096,
"volume": 68.35930211462892,
"volume_molar": 20.58346697948305,
"formula_full": "Ni2",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy": -10.3197951,
"energy_per_atom": -5.15989755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.3197951,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3472965,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.320000Z",
"spacegroup": 164
},
{
"id": "mp-1223790",
"created_at": "2022-09-04T14:43:14.713645Z",
"structure_string": "K3 Br1 Cl2\n1.0\n2.293837 -3.973043 0.000000\n2.293837 3.973043 0.000000\n0.000000 0.000000 11.251894\nK Br Cl\n3 1 2\ndirect\n0.000000 0.000000 0.500000 K\n0.333333 0.666667 0.176951 K\n0.666667 0.333333 0.823049 K\n0.000000 0.000000 0.000000 Br\n0.333333 0.666667 0.661889 Cl\n0.666667 0.333333 0.338111 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Br",
"Cl"
],
"chemical_system": "Br-Cl-K",
"density": 2.170762956734247,
"density_atomic": 0.029255653484658535,
"volume": 205.08856529717784,
"volume_molar": 20.58453680810094,
"formula_full": "K3 Br1 Cl2",
"formula_reduced": "K3BrCl2",
"formula_anonymous": "AB2C3",
"energy": -21.73727247,
"energy_per_atom": -3.622878745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.97527247,
"band_gap": 4.4948,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.193000Z",
"spacegroup": 164
},
{
"id": "mp-567583",
"created_at": "2022-09-04T14:39:46.623623Z",
"structure_string": "Cs2 Sb2 Cl12\n1.0\n3.387667 6.395116 0.000000\n-3.387667 6.395116 0.000000\n0.000000 2.821866 12.622196\nCs Sb Cl\n2 2 12\ndirect\n0.878525 0.121475 0.750000 Cs\n0.121475 0.878525 0.250000 Cs\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.455109 0.711951 0.605800 Cl\n0.711951 0.455109 0.105800 Cl\n0.803581 0.629249 0.845545 Cl\n0.544891 0.288049 0.394200 Cl\n0.629249 0.803581 0.345545 Cl\n0.196419 0.370751 0.154455 Cl\n0.199003 0.118063 0.958891 Cl\n0.118063 0.199003 0.458891 Cl\n0.800997 0.881937 0.041109 Cl\n0.370751 0.196419 0.654455 Cl\n0.881937 0.800997 0.541109 Cl\n0.288049 0.544891 0.894200 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cs-Sb",
"density": 2.838169766644124,
"density_atomic": 0.029255392371180095,
"volume": 546.907722070473,
"volume_molar": 20.58472053149592,
"formula_full": "Cs2 Sb2 Cl12",
"formula_reduced": "CsSbCl6",
"formula_anonymous": "ABC6",
"energy": -56.87328046,
"energy_per_atom": -3.55458002875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.50528046,
"band_gap": 2.0825,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.102000Z",
"spacegroup": 15
},
{
"id": "mp-1186521",
"created_at": "2022-09-04T14:41:05.261647Z",
"structure_string": "Pm6 Ho2\n1.0\n3.650508 -6.322865 0.000000\n3.650508 6.322865 0.000000\n0.000000 0.000000 5.924354\nPm Ho\n6 2\ndirect\n0.167518 0.335036 0.250000 Pm\n0.664964 0.832482 0.250000 Pm\n0.167518 0.832482 0.250000 Pm\n0.832482 0.664964 0.750000 Pm\n0.335036 0.167518 0.750000 Pm\n0.832482 0.167518 0.750000 Pm\n0.333333 0.666667 0.750000 Ho\n0.666667 0.333333 0.250000 Ho\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Ho"
],
"chemical_system": "Ho-Pm",
"density": 7.285203606227088,
"density_atomic": 0.02925174483404709,
"volume": 273.4879592785361,
"volume_molar": 20.587287336756155,
"formula_full": "Pm6 Ho2",
"formula_reduced": "Pm3Ho",
"formula_anonymous": "AB3",
"energy": -37.4649525,
"energy_per_atom": -4.6831190625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.4649525,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0335498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.243000Z",
"spacegroup": 194
},
{
"id": "mp-731978",
"created_at": "2022-09-04T14:41:55.014514Z",
"structure_string": "K2 Hg2 Br6 O2\n1.0\n2.280053 -7.932818 0.000000\n2.280053 7.932818 0.000000\n0.000000 0.000000 11.340499\nK Hg Br O\n2 2 6 2\ndirect\n0.740532 0.259468 0.324096 K\n0.259468 0.740532 0.824096 K\n0.017065 0.982935 0.620833 Hg\n0.982935 0.017065 0.120833 Hg\n0.859376 0.140624 0.635843 Br\n0.140624 0.859376 0.135843 Br\n0.837805 0.162195 0.031887 Br\n0.162195 0.837805 0.531887 Br\n0.564960 0.435040 0.801380 Br\n0.435040 0.564960 0.301380 Br\n0.322696 0.677304 0.313659 O\n0.677304 0.322696 0.813659 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Hg",
"Br",
"O"
],
"chemical_system": "Br-Hg-K-O",
"density": 4.010515870147517,
"density_atomic": 0.029251399746816894,
"volume": 410.23677854273717,
"volume_molar": 20.587530210944255,
"formula_full": "K2 Hg2 Br6 O2",
"formula_reduced": "KHgBr3O",
"formula_anonymous": "ABCD3",
"energy": -31.88512519,
"energy_per_atom": -2.6570937658333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.51112519,
"band_gap": 1.2074,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027201,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.133000Z",
"spacegroup": 36
},
{
"id": "mp-573321",
"created_at": "2022-09-04T14:44:25.307736Z",
"structure_string": "Te2 Pd2 I4\n1.0\n4.439126 0.000000 0.000000\n0.913687 7.194482 0.000000\n1.491700 3.269428 8.563605\nTe Pd I\n2 2 4\ndirect\n0.162024 0.504863 0.149786 Te\n0.837976 0.495137 0.850214 Te\n0.263965 0.251496 0.004006 Pd\n0.736035 0.748504 0.995994 Pd\n0.356666 0.033332 0.811511 I\n0.199363 0.705518 0.572035 I\n0.643334 0.966668 0.188489 I\n0.800637 0.294482 0.427965 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Te",
"Pd",
"I"
],
"chemical_system": "I-Pd-Te",
"density": 5.923699568719312,
"density_atomic": 0.029250706311197475,
"volume": 273.49766924901627,
"volume_molar": 20.58801827186874,
"formula_full": "Te2 Pd2 I4",
"formula_reduced": "TePdI2",
"formula_anonymous": "ABC2",
"energy": -27.05930119,
"energy_per_atom": -3.38241264875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.69930119,
"band_gap": 0.5150000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.334000Z",
"spacegroup": 2
},
{
"id": "mp-1184439",
"created_at": "2022-09-04T14:40:12.204297Z",
"structure_string": "Eu1 Y3\n1.0\n-2.574381 2.574381 5.158555\n2.574381 -2.574381 5.158555\n2.574381 2.574381 -5.158555\nEu Y\n1 3\ndirect\n0.000000 0.000000 0.000000 Eu\n0.750000 0.250000 0.500000 Y\n0.250000 0.750000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Eu",
"Y"
],
"chemical_system": "Eu-Y",
"density": 5.08392600779817,
"density_atomic": 0.02925002837403818,
"volume": 136.75200409550135,
"volume_molar": 20.588495446880138,
"formula_full": "Eu1 Y3",
"formula_reduced": "EuY3",
"formula_anonymous": "AB3",
"energy": -29.30552321,
"energy_per_atom": -7.3263808025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.30552321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0668806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.653000Z",
"spacegroup": 139
},
{
"id": "mp-23036",
"created_at": "2022-09-04T14:41:12.842288Z",
"structure_string": "K2 Se1 Br6\n1.0\n0.000000 5.358332 5.358332\n5.358332 0.000000 5.358332\n5.358332 5.358332 0.000000\nK Se Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Se\n0.242573 0.757427 0.242573 Br\n0.242573 0.757427 0.757427 Br\n0.757427 0.242573 0.242573 Br\n0.757427 0.757427 0.242573 Br\n0.242573 0.242573 0.757427 Br\n0.757427 0.242573 0.757427 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Se",
"Br"
],
"chemical_system": "Br-K-Se",
"density": 3.4354500984931913,
"density_atomic": 0.02924985094865962,
"volume": 307.69387563024236,
"volume_molar": 20.588620333725036,
"formula_full": "K2 Se1 Br6",
"formula_reduced": "K2SeBr6",
"formula_anonymous": "AB2C6",
"energy": -27.27311281,
"energy_per_atom": -3.0303458677777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.59711281,
"band_gap": 1.6978,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009989,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.296000Z",
"spacegroup": 225
},
{
"id": "mp-1218915",
"created_at": "2022-09-04T14:47:03.622386Z",
"structure_string": "Sn1 Te2 Pb1\n1.0\n4.584719 0.000000 0.000000\n0.000000 4.584719 0.000000\n0.000000 0.000000 6.506024\nSn Te Pb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sn",
"Te",
"Pb"
],
"chemical_system": "Pb-Sn-Te",
"density": 7.056126208558099,
"density_atomic": 0.02924952953000063,
"volume": 136.75433636965968,
"volume_molar": 20.58884657896195,
"formula_full": "Sn1 Te2 Pb1",
"formula_reduced": "SnTe2Pb",
"formula_anonymous": "ABC2",
"energy": -16.21348108,
"energy_per_atom": -4.05337027,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.36948108,
"band_gap": 0.1164000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006921,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.634000Z",
"spacegroup": 123
},
{
"id": "mp-1211427",
"created_at": "2022-09-04T14:48:30.936953Z",
"structure_string": "Na3 Bi1 F6\n1.0\n-1.811869 -5.962804 0.357856\n-4.551311 7.507526 -0.345052\n-0.023484 1.486582 -8.473639\nNa Bi F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Bi\n0.030435 0.279871 0.929975 F\n0.969565 0.720129 0.070025 F\n0.955471 0.948589 0.741208 F\n0.044529 0.051411 0.258792 F\n0.498993 0.749498 0.987861 F\n0.501007 0.250502 0.012139 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Bi",
"F"
],
"chemical_system": "Bi-F-Na",
"density": 1.903625997927818,
"density_atomic": 0.029249119768511234,
"volume": 341.8906305264514,
"volume_molar": 20.58913501555443,
"formula_full": "Na3 Bi1 F6",
"formula_reduced": "Na3BiF6",
"formula_anonymous": "AB3C6",
"energy": -46.44237985,
"energy_per_atom": -4.644237985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.67037985,
"band_gap": 4.3087,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.498000Z",
"spacegroup": 2
},
{
"id": "mp-31507",
"created_at": "2022-09-04T14:43:12.049330Z",
"structure_string": "Sb2 Te4 Pb1\n1.0\n14.215289 -2.209064 0.000000\n14.215289 2.209064 0.000000\n13.871999 0.000000 3.810780\nSb Te Pb\n2 4 1\ndirect\n0.573101 0.573101 0.573101 Sb\n0.426899 0.426899 0.426899 Sb\n0.714220 0.714220 0.714220 Te\n0.132396 0.132396 0.132396 Te\n0.867604 0.867604 0.867604 Te\n0.285780 0.285780 0.285780 Te\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Pb"
],
"chemical_system": "Pb-Sb-Te",
"density": 6.668357078889525,
"density_atomic": 0.02924759601987782,
"volume": 239.33590970151954,
"volume_molar": 20.59020767350286,
"formula_full": "Sb2 Te4 Pb1",
"formula_reduced": "Sb2Te4Pb",
"formula_anonymous": "AB2C4",
"energy": -27.64897146,
"energy_per_atom": -3.9498530657142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.96097146,
"band_gap": 0.2736,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0035593,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.061000Z",
"spacegroup": 166
},
{
"id": "mp-1223150",
"created_at": "2022-09-04T14:47:11.865089Z",
"structure_string": "La8 Sn2 Bi4\n1.0\n-4.919808 4.919808 4.944088\n4.919808 -4.919808 4.944088\n4.919808 4.919808 -4.944088\nLa Sn Bi\n8 2 4\ndirect\n0.979541 0.370899 0.249833 La\n0.121066 0.729708 0.750167 La\n0.628934 0.879101 0.108642 La\n0.770459 0.520292 0.891358 La\n0.120899 0.229541 0.749833 La\n0.479708 0.371066 0.250167 La\n0.629101 0.878934 0.608642 La\n0.270292 0.020459 0.391358 La\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.375000 0.500932 0.625932 Bi\n0.875000 0.749068 0.374068 Bi\n0.499068 0.125000 0.874068 Bi\n0.250932 0.625000 0.125932 Bi\n",
"nsites": 14,
"nelements": 3,
"elements": [
"La",
"Sn",
"Bi"
],
"chemical_system": "Bi-La-Sn",
"density": 7.578366842642878,
"density_atomic": 0.02924728408063541,
"volume": 478.6769247155288,
"volume_molar": 20.590427280005983,
"formula_full": "La8 Sn2 Bi4",
"formula_reduced": "La4SnBi2",
"formula_anonymous": "AB2C4",
"energy": -75.3020449,
"energy_per_atom": -5.378717492857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.3020449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1793186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.223000Z",
"spacegroup": 122
}
]
}