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=12137",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=12135",
"results": [
{
"id": "mp-1008681",
"created_at": "2022-09-04T14:42:19.616764Z",
"structure_string": "Sc1\n1.0\n2.989426 0.000000 0.000000\n0.000000 2.989426 0.000000\n0.000000 0.000000 2.989426\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.7942965058753915,
"density_atomic": 0.03743144369837954,
"volume": 26.715507103010598,
"volume_molar": 16.088454424910964,
"formula_full": "Sc1",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -5.61301517,
"energy_per_atom": -5.61301517,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.61301517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9076781,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.836000Z",
"spacegroup": 221
},
{
"id": "mp-1184502",
"created_at": "2022-09-04T14:42:39.769064Z",
"structure_string": "In3\n1.0\n8.523985 -1.666431 0.000000\n8.523985 1.666431 0.000000\n8.198199 0.000000 2.867898\nIn\n3\ndirect\n0.000000 0.000000 0.000000 In\n0.778336 0.778336 0.778336 In\n0.221664 0.221664 0.221664 In\n",
"nsites": 3,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 7.020315339450969,
"density_atomic": 0.03682116668847311,
"volume": 81.47487626835985,
"volume_molar": 16.355105776388218,
"formula_full": "In3",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -8.25505119,
"energy_per_atom": -2.75168373,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.25505119,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.011167,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.063000Z",
"spacegroup": 166
},
{
"id": "mp-680372",
"created_at": "2022-09-04T14:41:17.125517Z",
"structure_string": "C60\n1.0\n8.650536 -4.602332 0.000000\n8.650536 4.602332 0.000000\n6.201965 0.000000 7.586097\nC\n60\ndirect\n0.027412 0.874754 0.716891 C\n0.249245 0.249245 0.572032 C\n0.716891 0.027412 0.874754 C\n0.916965 0.471829 0.645118 C\n0.027412 0.716891 0.874754 C\n0.083035 0.528171 0.354882 C\n0.572032 0.249245 0.249245 C\n0.645118 0.916965 0.471829 C\n0.631259 0.888942 0.196324 C\n0.249245 0.572032 0.249245 C\n0.888942 0.196324 0.631259 C\n0.945185 0.791196 0.455044 C\n0.736983 0.736983 0.305958 C\n0.736983 0.305958 0.736983 C\n0.471829 0.645118 0.916965 C\n0.528171 0.083035 0.354882 C\n0.283109 0.972588 0.125246 C\n0.054815 0.544956 0.208804 C\n0.054815 0.208804 0.544956 C\n0.125246 0.972588 0.283109 C\n0.083035 0.354882 0.528171 C\n0.455044 0.945185 0.791196 C\n0.945185 0.455044 0.791196 C\n0.305958 0.736983 0.736983 C\n0.916965 0.645118 0.471829 C\n0.972588 0.125246 0.283109 C\n0.196324 0.631259 0.888942 C\n0.125246 0.283109 0.972588 C\n0.631259 0.196324 0.888942 C\n0.263017 0.694042 0.263017 C\n0.427968 0.750755 0.750755 C\n0.874754 0.027412 0.716891 C\n0.471829 0.916965 0.645118 C\n0.354882 0.528171 0.083035 C\n0.208804 0.054815 0.544956 C\n0.750755 0.427968 0.750755 C\n0.750755 0.750755 0.427968 C\n0.791196 0.455044 0.945185 C\n0.716891 0.874754 0.027412 C\n0.694042 0.263017 0.263017 C\n0.544956 0.054815 0.208804 C\n0.791196 0.945185 0.455044 C\n0.528171 0.354882 0.083035 C\n0.263017 0.263017 0.694042 C\n0.645118 0.471829 0.916965 C\n0.111058 0.803676 0.368741 C\n0.354882 0.083035 0.528171 C\n0.196324 0.888942 0.631259 C\n0.972588 0.283109 0.125246 C\n0.544956 0.208804 0.054815 C\n0.803676 0.111058 0.368741 C\n0.888942 0.631259 0.196324 C\n0.111058 0.368741 0.803676 C\n0.283109 0.125246 0.972588 C\n0.368741 0.803676 0.111058 C\n0.455044 0.791196 0.945185 C\n0.874754 0.716891 0.027412 C\n0.208804 0.544956 0.054815 C\n0.368741 0.111058 0.803676 C\n0.803676 0.368741 0.111058 C\n",
"nsites": 60,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.9810677035606912,
"density_atomic": 0.09933033520157261,
"volume": 604.0450772489698,
"volume_molar": 6.06274080096395,
"formula_full": "C60",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -529.17093066,
"energy_per_atom": -8.819515510999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -529.17093066,
"band_gap": 0.7132000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002577,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.689000Z",
"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-571249",
"created_at": "2022-09-04T14:41:17.143612Z",
"structure_string": "Tb6\n1.0\n1.788050 -3.096993 0.000000\n1.788050 3.096993 0.000000\n0.000000 0.000000 17.367122\nTb\n6\ndirect\n0.666667 0.333333 0.916738 Tb\n0.000000 0.000000 0.250000 Tb\n0.666667 0.333333 0.583262 Tb\n0.333333 0.666667 0.416738 Tb\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.083262 Tb\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Tb"
],
"chemical_system": "Tb",
"density": 8.232197685297638,
"density_atomic": 0.03119417590846317,
"volume": 192.3435970101125,
"volume_molar": 19.30533692466021,
"formula_full": "Tb6",
"formula_reduced": "Tb",
"formula_anonymous": "A",
"energy": -27.724118149999995,
"energy_per_atom": -4.620686358333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.724118149999995,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7229571,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.503000Z",
"spacegroup": 194
},
{
"id": "mp-570747",
"created_at": "2022-09-04T14:41:08.844775Z",
"structure_string": "N4\n1.0\n4.061881 0.000000 0.000000\n0.000000 4.061881 0.000000\n0.000000 0.000000 5.338196\nN\n4\ndirect\n0.903123 0.903123 0.000000 N\n0.596877 0.403123 0.500000 N\n0.096877 0.096877 0.000000 N\n0.403123 0.596877 0.500000 N\n",
"nsites": 4,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 1.0563212303584673,
"density_atomic": 0.04541623036970457,
"volume": 88.074240584006,
"volume_molar": 13.259886853174718,
"formula_full": "N4",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -33.31661044,
"energy_per_atom": -8.32915261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.31661044,
"band_gap": 6.739,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001172,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.798000Z",
"spacegroup": 136
},
{
"id": "mp-573691",
"created_at": "2022-09-04T14:41:12.425213Z",
"structure_string": "K8\n1.0\n4.480404 -7.407795 0.000000\n4.480404 7.407795 0.000000\n0.000000 0.000000 8.914782\nK\n8\ndirect\n0.778657 0.221343 0.000000 K\n0.721343 0.278657 0.500000 K\n0.681016 0.681016 0.180153 K\n0.278657 0.721343 0.500000 K\n0.181016 0.181016 0.319847 K\n0.818984 0.818984 0.680153 K\n0.221343 0.778657 0.000000 K\n0.318984 0.318984 0.819847 K\n",
"nsites": 8,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8777080958565258,
"density_atomic": 0.013518955303085275,
"volume": 591.7617020432232,
"volume_molar": 44.54590332601837,
"formula_full": "K8",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -8.62728555,
"energy_per_atom": -1.07841069375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.62728555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0081789,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.889000Z",
"spacegroup": 64
},
{
"id": "mp-7098",
"created_at": "2022-09-04T14:41:09.197358Z",
"structure_string": "Np4\n1.0\n4.613375 0.000000 0.000000\n0.000000 4.613375 0.000000\n0.000000 0.000000 3.469687\nNp\n4\ndirect\n0.500000 0.500000 0.000000 Np\n0.000000 0.000000 0.000000 Np\n0.000000 0.500000 0.681361 Np\n0.500000 0.000000 0.318639 Np\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Np"
],
"chemical_system": "Np",
"density": 21.31717351395562,
"density_atomic": 0.05416667491592752,
"volume": 73.84614259982597,
"volume_molar": 11.117796632979607,
"formula_full": "Np4",
"formula_reduced": "Np",
"formula_anonymous": "A",
"energy": -51.47315778,
"energy_per_atom": -12.868289445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.47315778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.8e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:15.337000Z",
"spacegroup": 129
},
{
"id": "mp-108",
"created_at": "2022-09-04T14:41:08.150478Z",
"structure_string": "U1\n1.0\n-1.716436 1.716436 1.716436\n1.716436 -1.716436 1.716436\n1.716436 1.716436 -1.716436\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.540513392390526,
"density_atomic": 0.04943757555009057,
"volume": 20.227529138980362,
"volume_molar": 12.181302770194137,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -11.02285917,
"energy_per_atom": -11.02285917,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.02285917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035433,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:21.082000Z",
"spacegroup": 229
},
{
"id": "mp-604325",
"created_at": "2022-09-04T14:41:17.501526Z",
"structure_string": "K2\n1.0\n3.129391 3.113852 0.000000\n-3.129391 3.113852 0.000000\n0.000000 2.991758 7.891759\nK\n2\ndirect\n0.363817 0.636183 0.750000 K\n0.636183 0.363817 0.250000 K\n",
"nsites": 2,
"nelements": 1,
"elements": [
"K"
],
"chemical_system": "K",
"density": 0.8442583443643122,
"density_atomic": 0.013003743357955325,
"volume": 153.8018665045751,
"volume_molar": 46.31082446206402,
"formula_full": "K2",
"formula_reduced": "K",
"formula_anonymous": "A",
"energy": -2.07371566,
"energy_per_atom": -1.03685783,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.07371566,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024071,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.287000Z",
"spacegroup": 15
},
{
"id": "mp-11334",
"created_at": "2022-09-04T14:41:35.643478Z",
"structure_string": "W8\n1.0\n5.088852 0.000000 0.000000\n0.000000 5.088852 0.000000\n0.000000 0.000000 5.088852\nW\n8\ndirect\n0.250000 0.000000 0.500000 W\n0.750000 0.000000 0.500000 W\n0.000000 0.500000 0.250000 W\n0.000000 0.500000 0.750000 W\n0.500000 0.750000 0.000000 W\n0.500000 0.250000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n",
"nsites": 8,
"nelements": 1,
"elements": [
"W"
],
"chemical_system": "W",
"density": 18.531886626123665,
"density_atomic": 0.06070584739417175,
"volume": 131.78302162648114,
"volume_molar": 9.920198825159922,
"formula_full": "W8",
"formula_reduced": "W",
"formula_anonymous": "A",
"energy": -102.96692659,
"energy_per_atom": -12.87086582375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.96692659,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.097000Z",
"spacegroup": 223
}
]
}