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=-id&page=114",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=112",
"results": [
{
"id": "mp-981312",
"created_at": "2022-09-04T14:39:32.656436Z",
"structure_string": "Zr1 Cu2 Hg1\n1.0\n0.000000 3.205767 3.205767\n3.205767 0.000000 3.205767\n3.205767 3.205767 0.000000\nZr Cu Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Cu\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Cu",
"Hg"
],
"chemical_system": "Cu-Hg-Zr",
"density": 10.556982962446249,
"density_atomic": 0.060706351709207775,
"volume": 65.89096342274989,
"volume_molar": 9.92011641359528,
"formula_full": "Zr1 Cu2 Hg1",
"formula_reduced": "ZrCu2Hg",
"formula_anonymous": "ABC2",
"energy": -17.52311924,
"energy_per_atom": -4.38077981,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.52311924,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.87e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.423000Z",
"spacegroup": 225
},
{
"id": "mp-981311",
"created_at": "2022-09-04T14:41:49.604163Z",
"structure_string": "Sr1 Tl1 Hg2\n1.0\n0.000000 3.881847 3.881847\n3.881847 0.000000 3.881847\n3.881847 3.881847 0.000000\nSr Tl Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Tl",
"Hg"
],
"chemical_system": "Hg-Sr-Tl",
"density": 9.839022439000788,
"density_atomic": 0.034191232298260786,
"volume": 116.98905629100327,
"volume_molar": 17.613114109099627,
"formula_full": "Sr1 Tl1 Hg2",
"formula_reduced": "SrTlHg2",
"formula_anonymous": "ABC2",
"energy": -6.18762569,
"energy_per_atom": -1.5469064225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.18762569,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.425000Z",
"spacegroup": 225
},
{
"id": "mp-981310",
"created_at": "2022-09-04T14:47:16.765667Z",
"structure_string": "Tl6 Ge2\n1.0\n3.523770 -6.103348 0.000000\n3.523770 6.103348 0.000000\n0.000000 0.000000 5.349991\nTl Ge\n6 2\ndirect\n0.172900 0.345799 0.250000 Tl\n0.654201 0.827100 0.250000 Tl\n0.172900 0.827100 0.250000 Tl\n0.827100 0.654201 0.750000 Tl\n0.345799 0.172900 0.750000 Tl\n0.827100 0.172900 0.750000 Tl\n0.333333 0.666667 0.750000 Ge\n0.666667 0.333333 0.250000 Ge\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tl",
"Ge"
],
"chemical_system": "Ge-Tl",
"density": 9.897179427396763,
"density_atomic": 0.0347641209993654,
"volume": 230.12231490466954,
"volume_molar": 17.322862154662072,
"formula_full": "Tl6 Ge2",
"formula_reduced": "Tl3Ge",
"formula_anonymous": "AB3",
"energy": -22.07010868,
"energy_per_atom": -2.758763585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.07010868,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.394000Z",
"spacegroup": 194
},
{
"id": "mp-9813",
"created_at": "2022-09-04T14:47:20.185459Z",
"structure_string": "W1 S2\n1.0\n7.180345 -1.595531 0.000000\n7.180345 1.595531 0.000000\n6.825805 0.000000 2.740704\nW S\n1 2\ndirect\n0.000667 0.000667 0.000667 W\n0.407603 0.407603 0.407603 S\n0.260430 0.260430 0.260430 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"W",
"S"
],
"chemical_system": "S-W",
"density": 6.557005559612956,
"density_atomic": 0.04777256578344686,
"volume": 62.79754814926638,
"volume_molar": 12.605855811258655,
"formula_full": "W1 S2",
"formula_reduced": "WS2",
"formula_anonymous": "AB2",
"energy": -24.69294128,
"energy_per_atom": -8.230980426666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.68694128,
"band_gap": 1.4770000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.31e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:04.864000Z",
"spacegroup": 160
},
{
"id": "mp-981262",
"created_at": "2022-09-04T14:47:01.139878Z",
"structure_string": "Yb2 F2\n1.0\n1.939348 -3.359050 0.000000\n1.939348 3.359050 0.000000\n0.000000 0.000000 6.209712\nYb F\n2 2\ndirect\n0.666667 0.333333 0.874988 Yb\n0.333333 0.666667 0.374988 Yb\n0.666667 0.333333 0.499505 F\n0.333333 0.666667 0.999505 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"F"
],
"chemical_system": "F-Yb",
"density": 7.883036002617738,
"density_atomic": 0.049440894789024484,
"volume": 80.90468461521394,
"volume_molar": 12.180484972405617,
"formula_full": "Yb2 F2",
"formula_reduced": "YbF",
"formula_anonymous": "AB",
"energy": -18.94265245,
"energy_per_atom": -4.7356631125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.01865245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9090384,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.182000Z",
"spacegroup": 186
},
{
"id": "mp-981252",
"created_at": "2022-09-04T14:47:18.507208Z",
"structure_string": "Y1 Mg5\n1.0\n1.839881 5.993834 0.000000\n-1.839881 5.993834 0.000000\n0.000000 2.140200 6.700837\nY Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.175319 0.175319 0.671735 Mg\n0.828383 0.828383 0.844539 Mg\n0.500000 0.500000 0.000000 Mg\n0.171617 0.171617 0.155461 Mg\n0.824681 0.824681 0.328265 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Y",
"Mg"
],
"chemical_system": "Mg-Y",
"density": 2.364313227867135,
"density_atomic": 0.040597356510795636,
"volume": 147.79287411002935,
"volume_molar": 14.833824853592606,
"formula_full": "Y1 Mg5",
"formula_reduced": "YMg5",
"formula_anonymous": "AB5",
"energy": -14.576173570000002,
"energy_per_atom": -2.429362261666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.576173570000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018411,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.358000Z",
"spacegroup": 12
},
{
"id": "mp-981251",
"created_at": "2022-09-04T14:47:07.126572Z",
"structure_string": "Tm1 Ta3\n1.0\n0.000000 3.424714 3.424714\n3.424714 0.000000 3.424714\n3.424714 3.424714 0.000000\nTm Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Ta"
],
"chemical_system": "Ta-Tm",
"density": 14.712641181650381,
"density_atomic": 0.049791713062096635,
"volume": 80.334653178361,
"volume_molar": 12.094664733646782,
"formula_full": "Tm1 Ta3",
"formula_reduced": "TmTa3",
"formula_anonymous": "AB3",
"energy": -38.66541795,
"energy_per_atom": -9.6663544875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.66541795,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003932,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.902000Z",
"spacegroup": 225
},
{
"id": "mp-981250",
"created_at": "2022-09-04T14:42:06.374615Z",
"structure_string": "Sm1 Pu1 O3\n1.0\n4.353633 0.000000 0.000000\n0.000000 4.353633 0.000000\n0.000000 0.000000 4.353633\nSm Pu O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Pu\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Pu",
"O"
],
"chemical_system": "O-Pu-Sm",
"density": 8.90159294072665,
"density_atomic": 0.06059189780567369,
"volume": 82.5192836183423,
"volume_molar": 9.93885482728039,
"formula_full": "Sm1 Pu1 O3",
"formula_reduced": "SmPuO3",
"formula_anonymous": "ABC3",
"energy": -48.54825412,
"energy_per_atom": -9.709650824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.48725412,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8867867,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.238000Z",
"spacegroup": 221
},
{
"id": "mp-981249",
"created_at": "2022-09-04T14:40:59.987749Z",
"structure_string": "Y6 Tm2\n1.0\n3.621871 -6.273264 0.000000\n3.621871 6.273264 0.000000\n0.000000 0.000000 5.721691\nY Tm\n6 2\ndirect\n0.167571 0.335142 0.250000 Y\n0.664858 0.832429 0.250000 Y\n0.167571 0.832429 0.250000 Y\n0.832429 0.664858 0.750000 Y\n0.335142 0.167571 0.750000 Y\n0.832429 0.167571 0.750000 Y\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Tm"
],
"chemical_system": "Tm-Y",
"density": 5.564647106026676,
"density_atomic": 0.030768693016458838,
"volume": 260.0045440903397,
"volume_molar": 19.57229953439565,
"formula_full": "Y6 Tm2",
"formula_reduced": "Y3Tm",
"formula_anonymous": "AB3",
"energy": -47.70308788,
"energy_per_atom": -5.962885985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.70308788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7526893,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.671000Z",
"spacegroup": 194
},
{
"id": "mp-981247",
"created_at": "2022-09-04T14:47:19.866997Z",
"structure_string": "Zn7 Sb8 Ru9\n1.0\n0.000000 6.005952 6.005952\n6.005952 0.000000 6.005952\n6.005952 6.005952 0.000000\nZn Sb Ru\n7 8 9\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.725990 0.274010 0.274010 Sb\n0.274010 0.725990 0.725990 Sb\n0.274010 0.725990 0.274010 Sb\n0.274010 0.274010 0.725990 Sb\n0.725990 0.274010 0.725990 Sb\n0.725990 0.725990 0.274010 Sb\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.750000 Sb\n0.123512 0.123512 0.123512 Ru\n0.123512 0.123512 0.629464 Ru\n0.629464 0.123512 0.123512 Ru\n0.123512 0.629464 0.123512 Ru\n0.876488 0.876488 0.876488 Ru\n0.876488 0.876488 0.370536 Ru\n0.876488 0.370536 0.876488 Ru\n0.370536 0.876488 0.876488 Ru\n0.500000 0.500000 0.500000 Ru\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"Sb",
"Ru"
],
"chemical_system": "Ru-Sb-Zn",
"density": 8.973900143485979,
"density_atomic": 0.055390549702032825,
"volume": 433.28690776865864,
"volume_molar": 10.872144783533335,
"formula_full": "Zn7 Sb8 Ru9",
"formula_reduced": "Zn7Sb8Ru9",
"formula_anonymous": "A7B8C9",
"energy": -130.02728133,
"energy_per_atom": -5.4178033887499994,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -130.02728133,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007982,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.214000Z",
"spacegroup": 225
},
{
"id": "mp-981234",
"created_at": "2022-09-04T14:40:37.059240Z",
"structure_string": "Yb2 In1 Sn1\n1.0\n0.000000 3.822372 3.822372\n3.822372 0.000000 3.822372\n3.822372 3.822372 0.000000\nYb In Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"In",
"Sn"
],
"chemical_system": "In-Sn-Yb",
"density": 8.616970769103405,
"density_atomic": 0.035812211642544035,
"volume": 111.69374402021286,
"volume_molar": 16.815886212528255,
"formula_full": "Yb2 In1 Sn1",
"formula_reduced": "Yb2InSn",
"formula_anonymous": "ABC2",
"energy": -12.11348593,
"energy_per_atom": -3.0283714825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.11348593,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017174,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.377000Z",
"spacegroup": 225
},
{
"id": "mp-981233",
"created_at": "2022-09-04T14:42:52.168463Z",
"structure_string": "U1 Cr3\n1.0\n0.000000 3.050732 3.050732\n3.050732 0.000000 3.050732\n3.050732 3.050732 0.000000\nU Cr\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.750000 0.750000 0.750000 Cr\n0.250000 0.250000 0.250000 Cr\n0.500000 0.500000 0.500000 Cr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Cr"
],
"chemical_system": "Cr-U",
"density": 11.521847447113887,
"density_atomic": 0.07043975278718903,
"volume": 56.78611638636365,
"volume_molar": 8.549349652310612,
"formula_full": "U1 Cr3",
"formula_reduced": "UCr3",
"formula_anonymous": "AB3",
"energy": -38.76992804,
"energy_per_atom": -9.69248201,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.76992804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9462219,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.509000Z",
"spacegroup": 225
}
]
}