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=nelements&page=58",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=56",
"results": [
{
"id": "mp-634659",
"created_at": "2022-09-04T14:39:44.232237Z",
"structure_string": "H1\n1.0\n0.000000 2.714276 2.714276\n2.714276 0.000000 2.714276\n2.714276 2.714276 0.000000\nH\n1\ndirect\n0.000000 0.000000 0.000000 H\n",
"nsites": 1,
"nelements": 1,
"elements": [
"H"
],
"chemical_system": "H",
"density": 0.04184964346674343,
"density_atomic": 0.025003913308295884,
"volume": 39.99373968666803,
"volume_molar": 24.084792991191318,
"formula_full": "H1",
"formula_reduced": "H",
"formula_anonymous": "A",
"energy": -1.11598378,
"energy_per_atom": -1.11598378,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.11598378,
"band_gap": 7.5516,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.544000Z",
"spacegroup": 225
},
{
"id": "mp-7236",
"created_at": "2022-09-04T14:39:27.576899Z",
"structure_string": "Ho1\n1.0\n-1.991490 1.991490 1.991490\n1.991490 -1.991490 1.991490\n1.991490 1.991490 -1.991490\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ho"
],
"chemical_system": "Ho",
"density": 8.66872483624529,
"density_atomic": 0.03165232517078593,
"volume": 31.593255617219796,
"volume_molar": 19.02590323935583,
"formula_full": "Ho1",
"formula_reduced": "Ho",
"formula_anonymous": "A",
"energy": -4.43741302,
"energy_per_atom": -4.43741302,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.43741302,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0125212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.655000Z",
"spacegroup": 229
},
{
"id": "mp-975519",
"created_at": "2022-09-04T14:39:18.207240Z",
"structure_string": "Rb1\n1.0\n-2.468885 2.468885 3.730519\n2.468885 -2.468885 3.730519\n2.468885 2.468885 -3.730519\nRb\n1\ndirect\n0.000000 0.000000 0.000000 Rb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5603450688293747,
"density_atomic": 0.01099433662959577,
"volume": 90.95591973308235,
"volume_molar": 54.77493515878835,
"formula_full": "Rb1",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -0.96390686,
"energy_per_atom": -0.96390686,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.96390686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.326000Z",
"spacegroup": 139
},
{
"id": "mp-723897",
"created_at": "2022-09-04T14:48:30.712339Z",
"structure_string": "P4\n1.0\n9.200000 0.000000 0.000000\n0.000000 9.200000 0.000000\n0.000000 0.000000 7.400000\nP\n4\ndirect\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.625000 P\n0.500000 0.000000 0.375000 P\n",
"nsites": 4,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 0.3284699703709865,
"density_atomic": 0.006386348541357994,
"volume": 626.3359999999999,
"volume_molar": 94.29708887638398,
"formula_full": "P4",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -7.57720448,
"energy_per_atom": -1.89430112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.57720448,
"band_gap": 2.1942,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.799000Z",
"spacegroup": 129
},
{
"id": "mp-611448",
"created_at": "2022-09-04T14:48:21.597021Z",
"structure_string": "C12\n1.0\n1.261126 -2.184334 0.000000\n1.261126 2.184334 0.000000\n0.000000 0.000000 12.433927\nC\n12\ndirect\n0.666667 0.333333 0.354860 C\n0.333333 0.666667 0.854860 C\n0.666667 0.333333 0.020765 C\n0.333333 0.666667 0.645140 C\n0.333333 0.666667 0.979235 C\n0.000000 0.000000 0.686902 C\n0.666667 0.333333 0.479235 C\n0.333333 0.666667 0.520765 C\n0.000000 0.000000 0.313098 C\n0.666667 0.333333 0.145140 C\n0.000000 0.000000 0.813098 C\n0.000000 0.000000 0.186902 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.493677627431383,
"density_atomic": 0.17517229178753446,
"volume": 68.50398472011051,
"volume_molar": 3.437838655044956,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -109.01007592000002,
"energy_per_atom": -9.084172993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.01007592000002,
"band_gap": 4.399799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.626000Z",
"spacegroup": 194
},
{
"id": "mp-1097832",
"created_at": "2022-09-04T14:47:37.048322Z",
"structure_string": "C2\n1.0\n1.151662 -1.155668 0.000000\n1.151662 1.155668 0.000000\n0.000000 0.000000 9.879877\nC\n2\ndirect\n0.331215 0.331215 0.750000 C\n0.668785 0.668785 0.250000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.516728173183969,
"density_atomic": 0.07604844477614141,
"volume": 26.299025652493786,
"volume_molar": 7.918821716508422,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -13.24200761,
"energy_per_atom": -6.621003805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.24200761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0073409,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.462000Z",
"spacegroup": 63
},
{
"id": "mp-672241",
"created_at": "2022-09-04T14:47:28.577637Z",
"structure_string": "Cs8\n1.0\n10.451807 0.000000 0.000000\n0.000000 10.451807 0.000000\n0.000000 0.000000 8.589615\nCs\n8\ndirect\n0.745934 0.438324 0.000000 Cs\n0.254066 0.561676 0.000000 Cs\n0.561676 0.745934 0.500000 Cs\n0.438324 0.254066 0.500000 Cs\n0.754066 0.938324 0.000000 Cs\n0.245934 0.061676 0.000000 Cs\n0.061676 0.754066 0.500000 Cs\n0.938324 0.245934 0.500000 Cs\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8815918325523924,
"density_atomic": 0.008525768288977678,
"volume": 938.3318580617064,
"volume_molar": 70.63458161049921,
"formula_full": "Cs8",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -6.63945841,
"energy_per_atom": -0.82993230125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.63945841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.040847,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:07.112000Z",
"spacegroup": 135
},
{
"id": "mp-949029",
"created_at": "2022-09-04T14:47:14.970257Z",
"structure_string": "Cs8\n1.0\n9.825794 0.000000 0.000000\n0.000000 9.825794 0.000000\n0.000000 0.000000 9.825794\nCs\n8\ndirect\n0.000000 0.250000 0.500000 Cs\n0.000000 0.750000 0.500000 Cs\n0.500000 0.000000 0.750000 Cs\n0.500000 0.000000 0.250000 Cs\n0.750000 0.500000 0.000000 Cs\n0.250000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Cs\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8611394570649997,
"density_atomic": 0.008433095578909556,
"volume": 948.6433451563516,
"volume_molar": 71.41079694461017,
"formula_full": "Cs8",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -6.78970224,
"energy_per_atom": -0.84871278,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.78970224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007724,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.841000Z",
"spacegroup": 223
},
{
"id": "mp-10024",
"created_at": "2022-09-04T14:40:53.930711Z",
"structure_string": "Ce1\n1.0\n-1.887976 1.887976 1.887976\n1.887976 -1.887976 1.887976\n1.887976 1.887976 -1.887976\nCe\n1\ndirect\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ce"
],
"chemical_system": "Ce",
"density": 8.643456071208345,
"density_atomic": 0.037149297105028206,
"volume": 26.918409712377805,
"volume_molar": 16.21064523232903,
"formula_full": "Ce1",
"formula_reduced": "Ce",
"formula_anonymous": "A",
"energy": -5.70483875,
"energy_per_atom": -5.70483875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.70483875,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2594113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.149000Z",
"spacegroup": 229
},
{
"id": "mp-26",
"created_at": "2022-09-04T14:47:03.253735Z",
"structure_string": "La4\n1.0\n1.885596 -3.265947 0.000000\n1.885596 3.265947 0.000000\n0.000000 0.000000 12.064932\nLa\n4\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.333333 0.666667 0.250000 La\n0.666667 0.333333 0.750000 La\n",
"nsites": 4,
"nelements": 1,
"elements": [
"La"
],
"chemical_system": "La",
"density": 6.208915966373657,
"density_atomic": 0.02691828185703206,
"volume": 148.59789422091407,
"volume_molar": 22.371935890948375,
"formula_full": "La4",
"formula_reduced": "La",
"formula_anonymous": "A",
"energy": -19.74402842,
"energy_per_atom": -4.936007105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.74402842,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1488557,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:54.740000Z",
"spacegroup": 194
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -6.58849649,
"energy_per_atom": -1.6471241225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.58849649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018553,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
},
{
"id": "mp-1245108",
"created_at": "2022-09-04T14:46:19.126803Z",
"structure_string": "Fe100\n1.0\n10.405638 0.047555 -0.110238\n0.044125 10.706984 0.183230\n-0.107483 0.189424 10.453722\nFe\n100\ndirect\n0.567781 0.461286 0.603950 Fe\n0.821536 0.247467 0.372452 Fe\n0.852598 0.822227 0.738120 Fe\n0.169268 0.655136 0.960521 Fe\n0.784930 0.192604 0.583042 Fe\n0.701780 0.767452 0.121921 Fe\n0.389336 0.447863 0.737528 Fe\n0.005843 0.480840 0.776838 Fe\n0.970474 0.350322 0.544878 Fe\n0.035037 0.285871 0.961872 Fe\n0.213263 0.422299 0.896792 Fe\n0.146441 0.100203 0.085120 Fe\n0.905459 0.248661 0.767064 Fe\n0.033310 0.071997 0.873410 Fe\n0.127892 0.618850 0.239258 Fe\n0.410993 0.542599 0.946840 Fe\n0.416493 0.171781 0.483713 Fe\n0.088448 0.832294 0.827977 Fe\n0.805615 0.173946 0.959576 Fe\n0.567580 0.990300 0.217917 Fe\n0.596353 0.660055 0.505777 Fe\n0.389127 0.976653 0.617121 Fe\n0.276858 0.500190 0.120583 Fe\n0.500982 0.210051 0.277421 Fe\n0.186191 0.005161 0.475483 Fe\n0.645086 0.033834 0.873418 Fe\n0.387549 0.785466 0.483820 Fe\n0.603507 0.286860 0.477774 Fe\n0.822959 0.042891 0.761049 Fe\n0.907512 0.902240 0.200198 Fe\n0.934780 0.114367 0.148778 Fe\n0.332930 0.357608 0.296611 Fe\n0.042868 0.209335 0.352023 Fe\n0.446553 0.314061 0.908417 Fe\n0.247490 0.815110 0.310962 Fe\n0.737443 0.867605 0.333521 Fe\n0.372380 0.387024 0.506270 Fe\n0.874585 0.323121 0.125569 Fe\n0.687779 0.389853 0.249257 Fe\n0.965943 0.574161 0.469061 Fe\n0.025641 0.812735 0.397888 Fe\n0.245494 0.950157 0.957674 Fe\n0.420546 0.988258 0.385122 Fe\n0.572483 0.872629 0.728206 Fe\n0.006203 0.124577 0.595512 Fe\n0.539216 0.596430 0.147528 Fe\n0.911262 0.667947 0.921723 Fe\n0.913873 0.904358 0.966488 Fe\n0.350036 0.603144 0.322633 Fe\n0.601792 0.455946 0.820371 Fe\n0.322446 0.245040 0.101241 Fe\n0.260865 0.147406 0.303573 Fe\n0.643417 0.243231 0.785679 Fe\n0.833799 0.426036 0.904930 Fe\n0.658683 0.347635 0.020263 Fe\n0.244861 0.630193 0.749796 Fe\n0.929325 0.449523 0.293318 Fe\n0.148794 0.436288 0.386344 Fe\n0.100570 0.988602 0.270445 Fe\n0.772862 0.393886 0.681428 Fe\n0.676656 0.604173 0.938632 Fe\n0.508084 0.784658 0.280209 Fe\n0.712127 0.819149 0.900556 Fe\n0.712321 0.172015 0.189515 Fe\n0.333476 0.735460 0.106445 Fe\n0.022230 0.506259 0.053572 Fe\n0.720359 0.621200 0.312070 Fe\n0.375923 0.590346 0.565148 Fe\n0.526917 0.478913 0.364838 Fe\n0.586679 0.881815 0.503075 Fe\n0.657545 0.080897 0.404023 Fe\n0.017084 0.682020 0.661106 Fe\n0.811117 0.739990 0.515962 Fe\n0.347591 0.822825 0.815258 Fe\n0.581629 0.089170 0.632887 Fe\n0.213431 0.818142 0.619670 Fe\n0.732134 0.984371 0.076596 Fe\n0.507430 0.729220 0.959269 Fe\n0.762209 0.614188 0.707250 Fe\n0.124025 0.268484 0.735300 Fe\n0.330285 0.971784 0.172717 Fe\n0.199718 0.235484 0.520046 Fe\n0.902859 0.028452 0.392534 Fe\n0.480330 0.394615 0.130763 Fe\n0.199724 0.032241 0.723477 Fe\n0.489599 0.920636 0.011505 Fe\n0.779448 0.964555 0.566165 Fe\n0.916461 0.687598 0.214644 Fe\n0.531234 0.147723 0.038824 Fe\n0.178563 0.650727 0.476062 Fe\n0.101594 0.825169 0.106866 Fe\n0.364109 0.232637 0.694368 Fe\n0.759712 0.467768 0.469509 Fe\n0.253753 0.180205 0.901113 Fe\n0.431806 0.059378 0.832784 Fe\n0.172311 0.460568 0.617059 Fe\n0.120773 0.330606 0.175994 Fe\n0.788002 0.535131 0.107742 Fe\n0.506368 0.657324 0.740024 Fe\n0.004164 0.909981 0.602834 Fe\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Fe"
],
"chemical_system": "Fe",
"density": 7.965581247011818,
"density_atomic": 0.08589820310018596,
"volume": 1164.1687065719714,
"volume_molar": 7.010787819363548,
"formula_full": "Fe100",
"formula_reduced": "Fe",
"formula_anonymous": "A",
"energy": -819.05657127,
"energy_per_atom": -8.1905657127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -819.05657127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 205.3566831,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.320000Z",
"spacegroup": 1
}
]
}