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=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=nelements&page=36",
"results": [
{
"id": "mp-37",
"created_at": "2022-09-04T14:40:33.894069Z",
"structure_string": "Th1\n1.0\n0.000000 2.520609 2.520609\n2.520609 0.000000 2.520609\n2.520609 2.520609 0.000000\nTh\n1\ndirect\n0.000000 0.000000 0.000000 Th\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Th"
],
"chemical_system": "Th",
"density": 12.029896193298868,
"density_atomic": 0.03122148505692111,
"volume": 32.02922596977245,
"volume_molar": 19.288450722381718,
"formula_full": "Th1",
"formula_reduced": "Th",
"formula_anonymous": "A",
"energy": -7.41385825,
"energy_per_atom": -7.41385825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.41385825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.348000Z",
"spacegroup": 225
},
{
"id": "mp-1245041",
"created_at": "2022-09-04T14:40:42.779267Z",
"structure_string": "Si100\n1.0\n12.653798 -1.387699 2.037969\n-1.437538 12.613952 -1.773289\n1.973539 -1.676174 12.668291\nSi\n100\ndirect\n0.883672 0.340779 0.168841 Si\n0.058932 0.682773 0.610024 Si\n0.120246 0.461280 0.726731 Si\n0.852182 0.450602 0.350605 Si\n0.903925 0.938030 0.991149 Si\n0.485770 0.940738 0.242009 Si\n0.366139 0.674171 0.802085 Si\n0.296047 0.717558 0.134519 Si\n0.567081 0.601354 0.503499 Si\n0.590453 0.875143 0.927030 Si\n0.953364 0.975402 0.759825 Si\n0.639840 0.151172 0.653235 Si\n0.350687 0.091914 0.630709 Si\n0.725438 0.801361 0.643074 Si\n0.528495 0.424633 0.721894 Si\n0.432716 0.708788 0.365262 Si\n0.717241 0.323380 0.119694 Si\n0.044840 0.524290 0.331134 Si\n0.040571 0.005062 0.572656 Si\n0.126248 0.797621 0.159857 Si\n0.600045 0.638989 0.977720 Si\n0.088881 0.056672 0.307294 Si\n0.087598 0.099203 0.050986 Si\n0.336425 0.311646 0.207239 Si\n0.617255 0.587890 0.662766 Si\n0.056965 0.579061 0.903940 Si\n0.364007 0.552382 0.102545 Si\n0.427206 0.434614 0.915345 Si\n0.427401 0.866236 0.080015 Si\n0.905432 0.774689 0.730377 Si\n0.838497 0.727778 0.905066 Si\n0.866776 0.085336 0.935922 Si\n0.537241 0.065401 0.516598 Si\n0.652234 0.884068 0.227012 Si\n0.998705 0.182186 0.570725 Si\n0.933416 0.755696 0.163313 Si\n0.024490 0.223998 0.328239 Si\n0.395105 0.815540 0.705184 Si\n0.313647 0.136547 0.371544 Si\n0.159487 0.980842 0.118900 Si\n0.922349 0.936831 0.272328 Si\n0.068215 0.713236 0.429261 Si\n0.309183 0.947791 0.385276 Si\n0.095273 0.018093 0.860246 Si\n0.786081 0.982871 0.436943 Si\n0.597755 0.889513 0.429270 Si\n0.167794 0.482718 0.976296 Si\n0.152688 0.859416 0.861151 Si\n0.849882 0.944716 0.570372 Si\n0.334992 0.954444 0.868651 Si\n0.270536 0.744268 0.335777 Si\n0.760420 0.086357 0.719776 Si\n0.469021 0.289902 0.418085 Si\n0.963090 0.429549 0.016418 Si\n0.764289 0.305523 0.449340 Si\n0.084724 0.410278 0.424709 Si\n0.532587 0.616909 0.174987 Si\n0.506898 0.423477 0.150680 Si\n0.694205 0.825573 0.024228 Si\n0.993719 0.751968 0.967712 Si\n0.832670 0.412352 0.725181 Si\n0.387496 0.563521 0.469463 Si\n0.585898 0.394235 0.282385 Si\n0.160987 0.315347 0.827107 Si\n0.576296 0.115147 0.209921 Si\n0.281538 0.281248 0.918769 Si\n0.824908 0.006635 0.186882 Si\n0.617319 0.051472 0.883120 Si\n0.410219 0.386488 0.606870 Si\n0.349946 0.119191 0.818118 Si\n0.530919 0.175135 0.843745 Si\n0.685445 0.336060 0.641753 Si\n0.217647 0.672148 0.966643 Si\n0.538007 0.690546 0.839563 Si\n0.201051 0.275769 0.107407 Si\n0.011075 0.491113 0.620925 Si\n0.752247 0.638790 0.193490 Si\n0.170154 0.460783 0.153228 Si\n0.726445 0.500550 0.902585 Si\n0.811942 0.640524 0.603421 Si\n0.937566 0.181182 0.181228 Si\n0.860596 0.723632 0.447182 Si\n0.217381 0.944353 0.578868 Si\n0.563747 0.362448 0.950344 Si\n0.692256 0.137623 0.033107 Si\n0.272204 0.395034 0.401654 Si\n0.217567 0.797508 0.663277 Si\n0.968539 0.256678 0.888286 Si\n0.791846 0.484701 0.046538 Si\n0.865361 0.174512 0.466058 Si\n0.609477 0.188569 0.390336 Si\n0.190322 0.251744 0.504869 Si\n0.888717 0.254916 0.748511 Si\n0.570783 0.793384 0.569931 Si\n0.721908 0.558536 0.348853 Si\n0.120856 0.900713 0.360713 Si\n0.411037 0.153814 0.186767 Si\n0.310416 0.535175 0.656813 Si\n0.351445 0.000850 0.053224 Si\n0.266934 0.243342 0.646242 Si\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.4313031507099865,
"density_atomic": 0.052132416403008225,
"volume": 1918.192305281856,
"volume_molar": 11.551624067156228,
"formula_full": "Si100",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -511.5003629099999,
"energy_per_atom": -5.115003629099999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -511.5003629099999,
"band_gap": 0.0355999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.182000Z",
"spacegroup": 1
},
{
"id": "mp-614456",
"created_at": "2022-09-04T14:40:43.831991Z",
"structure_string": "He1\n1.0\n0.000000 1.849047 1.849047\n1.849047 0.000000 1.849047\n1.849047 1.849047 0.000000\nHe\n1\ndirect\n0.000000 0.000000 0.000000 He\n",
"nsites": 1,
"nelements": 1,
"elements": [
"He"
],
"chemical_system": "He",
"density": 0.5256754057633166,
"density_atomic": 0.0790908336294941,
"volume": 12.643690224388857,
"volume_molar": 7.614208225710568,
"formula_full": "He1",
"formula_reduced": "He",
"formula_anonymous": "A",
"energy": -0.00075975,
"energy_per_atom": -0.00075975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.00075975,
"band_gap": 17.8914,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:11.661000Z",
"spacegroup": 225
},
{
"id": "mp-110",
"created_at": "2022-09-04T14:40:57.406985Z",
"structure_string": "Mg1\n1.0\n-1.789645 1.789645 1.789645\n1.789645 -1.789645 1.789645\n1.789645 1.789645 -1.789645\nMg\n1\ndirect\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mg"
],
"chemical_system": "Mg",
"density": 1.7602893333027019,
"density_atomic": 0.043615347241879474,
"volume": 22.92770924083804,
"volume_molar": 13.807389235267943,
"formula_full": "Mg1",
"formula_reduced": "Mg",
"formula_anonymous": "A",
"energy": -1.57447816,
"energy_per_atom": -1.57447816,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.57447816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001585,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:02.815000Z",
"spacegroup": 229
},
{
"id": "mp-1018134",
"created_at": "2022-09-04T14:41:05.374532Z",
"structure_string": "Li3\n1.0\n7.474568 -1.531883 0.000000\n7.474568 1.531883 0.000000\n7.160615 0.000000 2.634659\nLi\n3\ndirect\n0.777946 0.777946 0.777946 Li\n0.222054 0.222054 0.222054 Li\n0.000000 0.000000 0.000000 Li\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Li"
],
"chemical_system": "Li",
"density": 0.5730945704730711,
"density_atomic": 0.04972275138125996,
"volume": 60.33455343202653,
"volume_molar": 12.111439115313496,
"formula_full": "Li3",
"formula_reduced": "Li",
"formula_anonymous": "A",
"energy": -5.7267686,
"energy_per_atom": -1.9089228666666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.7267686,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.064000Z",
"spacegroup": 166
},
{
"id": "mp-86",
"created_at": "2022-09-04T14:41:08.321791Z",
"structure_string": "Sm3\n1.0\n8.860596 -1.830405 0.000000\n8.860596 1.830405 0.000000\n8.482475 0.000000 3.147724\nSm\n3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.222401 0.222401 0.222401 Sm\n0.777599 0.777599 0.777599 Sm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Sm"
],
"chemical_system": "Sm",
"density": 7.336111094289853,
"density_atomic": 0.029382211795742533,
"volume": 102.10259257727829,
"volume_molar": 20.495872815376703,
"formula_full": "Sm3",
"formula_reduced": "Sm",
"formula_anonymous": "A",
"energy": -14.15304743,
"energy_per_atom": -4.717682476666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.15304743,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.002337,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.280000Z",
"spacegroup": 166
},
{
"id": "mp-1056579",
"created_at": "2022-09-04T14:41:14.434353Z",
"structure_string": "Si1\n1.0\n-1.676685 1.676685 1.287674\n1.676685 -1.676685 1.287674\n1.676685 1.676685 -1.287674\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.2207897928434908,
"density_atomic": 0.06906072349638641,
"volume": 14.480010480230849,
"volume_molar": 8.720066131822538,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.93955162,
"energy_per_atom": -4.93955162,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.93955162,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001013,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:14.336000Z",
"spacegroup": 139
},
{
"id": "mp-151",
"created_at": "2022-09-04T14:41:22.605703Z",
"structure_string": "Tl1\n1.0\n0.000000 2.496600 2.496600\n2.496600 0.000000 2.496600\n2.496600 2.496600 0.000000\nTl\n1\ndirect\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Tl"
],
"chemical_system": "Tl",
"density": 10.904797627951591,
"density_atomic": 0.03213091592979114,
"volume": 31.122673321391996,
"volume_molar": 18.742511956891935,
"formula_full": "Tl1",
"formula_reduced": "Tl",
"formula_anonymous": "A",
"energy": -2.35195119,
"energy_per_atom": -2.35195119,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.35195119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003465,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.439000Z",
"spacegroup": 225
},
{
"id": "mp-1186429",
"created_at": "2022-09-04T14:41:33.995780Z",
"structure_string": "Pm1\n1.0\n0.000000 2.584081 2.584081\n2.584081 0.000000 2.584081\n2.584081 2.584081 0.000000\nPm\n1\ndirect\n0.000000 0.000000 0.000000 Pm\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.977000201890157,
"density_atomic": 0.028976880905414445,
"volume": 34.5102705589388,
"volume_molar": 20.782570697161333,
"formula_full": "Pm1",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -4.74098422,
"energy_per_atom": -4.74098422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.74098422,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033695,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.603000Z",
"spacegroup": 225
},
{
"id": "mp-104",
"created_at": "2022-09-04T14:41:55.784372Z",
"structure_string": "Sb2\n1.0\n4.060155 -2.192977 0.000000\n4.060155 2.192977 0.000000\n2.875681 0.000000 3.608942\nSb\n2\ndirect\n0.731830 0.731830 0.731830 Sb\n0.268170 0.268170 0.268170 Sb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Sb"
],
"chemical_system": "Sb",
"density": 6.292122136443163,
"density_atomic": 0.03112027365133651,
"volume": 64.26678706002018,
"volume_molar": 19.351181893419405,
"formula_full": "Sb2",
"formula_reduced": "Sb",
"formula_anonymous": "A",
"energy": -8.25800248,
"energy_per_atom": -4.12900124,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25800248,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:33.169000Z",
"spacegroup": 166
},
{
"id": "mp-1077335",
"created_at": "2022-09-04T14:41:56.460359Z",
"structure_string": "U6\n1.0\n3.561406 4.160613 0.000000\n-3.561406 4.160613 0.000000\n0.000000 3.653785 4.226166\nU\n6\ndirect\n0.178769 0.821231 0.250000 U\n0.821231 0.178769 0.750000 U\n0.195622 0.360741 0.870062 U\n0.639259 0.804378 0.629938 U\n0.804378 0.639259 0.129938 U\n0.360741 0.195622 0.370062 U\n",
"nsites": 6,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.935409451040684,
"density_atomic": 0.04790666020434587,
"volume": 125.24354597893067,
"volume_molar": 12.570571052777542,
"formula_full": "U6",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -66.05981717,
"energy_per_atom": -11.009969528333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.05981717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.79005,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.984000Z",
"spacegroup": 15
},
{
"id": "mp-1078845",
"created_at": "2022-09-04T14:42:07.122183Z",
"structure_string": "C8\n1.0\n2.127572 -4.385604 0.000000\n2.127572 4.385604 0.000000\n0.000000 0.000000 2.514689\nC\n8\ndirect\n0.648212 0.981498 0.000000 C\n0.351788 0.018502 0.000000 C\n0.018502 0.351788 0.000000 C\n0.981498 0.648212 0.000000 C\n0.404684 0.226369 0.500000 C\n0.595316 0.773631 0.500000 C\n0.773631 0.595316 0.500000 C\n0.226369 0.404684 0.500000 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.4000041388062128,
"density_atomic": 0.17047552195583454,
"volume": 46.92755832753853,
"volume_molar": 3.53255452214434,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -71.68716467,
"energy_per_atom": -8.96089558375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.68716467,
"band_gap": 3.3272999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002083,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.830000Z",
"spacegroup": 65
}
]
}