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=-formation_energy&page=10213",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10211",
"results": [
{
"id": "mp-1220798",
"created_at": "2022-09-04T14:45:10.348016Z",
"structure_string": "Na6 Cd7 S10\n1.0\n2.112542 13.353783 0.000000\n-2.112542 13.353783 0.000000\n0.000000 3.227573 9.997172\nNa Cd S\n6 7 10\ndirect\n0.707777 0.707777 0.397387 Na\n0.298463 0.298463 0.578340 Na\n0.121079 0.121079 0.257007 Na\n0.887688 0.887688 0.729307 Na\n0.990472 0.990472 0.195202 Na\n0.008225 0.008225 0.805947 Na\n0.558371 0.558371 0.525071 Cd\n0.442219 0.442219 0.474099 Cd\n0.840324 0.840324 0.279134 Cd\n0.157422 0.157422 0.724026 Cd\n0.751212 0.751212 0.910855 Cd\n0.609244 0.609244 0.035849 Cd\n0.382585 0.382585 0.971416 Cd\n0.534950 0.534950 0.300582 S\n0.465225 0.465225 0.700899 S\n0.888989 0.888989 0.463856 S\n0.113535 0.113535 0.533262 S\n0.682985 0.682985 0.133054 S\n0.314345 0.314345 0.848763 S\n0.285327 0.285327 0.324143 S\n0.715548 0.715548 0.699165 S\n0.915454 0.915454 0.051096 S\n0.079761 0.079761 0.944542 S\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Cd",
"S"
],
"chemical_system": "Cd-Na-S",
"density": 3.666604044789448,
"density_atomic": 0.04077659986487017,
"volume": 564.0489907500832,
"volume_molar": 14.768619207969303,
"formula_full": "Na6 Cd7 S10",
"formula_reduced": "Na6Cd7S10",
"formula_anonymous": "A6B7C10",
"energy": -78.93036209,
"energy_per_atom": -3.431754873478261,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.90036209,
"band_gap": 1.0388000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:51.630000Z",
"spacegroup": 8
},
{
"id": "mp-1247051",
"created_at": "2022-09-04T14:45:10.464864Z",
"structure_string": "Mg1 Pb2 N2\n1.0\n3.392341 0.000023 0.000347\n-1.696150 2.936487 -0.000079\n0.000710 0.000164 9.234960\nMg Pb N\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666634 0.333256 0.286550 Pb\n0.333366 0.666744 0.713450 Pb\n0.666720 0.333321 0.861821 N\n0.333280 0.666679 0.138179 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Pb",
"N"
],
"chemical_system": "Mg-N-Pb",
"density": 8.424414379625293,
"density_atomic": 0.05435077043481021,
"volume": 91.99501607796225,
"volume_molar": 11.080138720799038,
"formula_full": "Mg1 Pb2 N2",
"formula_reduced": "Mg(PbN)2",
"formula_anonymous": "AB2C2",
"energy": -26.131026310000003,
"energy_per_atom": -5.226205262000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.40902631,
"band_gap": 0.6308999999999996,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.649000Z",
"spacegroup": 164
},
{
"id": "mp-765027",
"created_at": "2022-09-04T14:45:10.354120Z",
"structure_string": "Li4 Fe9 Co1 O20\n1.0\n2.933077 0.000000 0.000000\n0.000000 5.953076 0.000000\n0.000000 2.946198 21.044972\nLi Fe Co O\n4 9 1 20\ndirect\n0.500000 0.703406 0.606950 Li\n0.500000 0.296594 0.393050 Li\n0.000000 0.694685 0.099457 Li\n0.000000 0.305315 0.900543 Li\n0.500000 0.624264 0.794492 Fe\n0.000000 0.364497 0.702367 Fe\n0.500000 0.200169 0.596648 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.799831 0.403352 Fe\n0.000000 0.635503 0.297633 Fe\n0.500000 0.375736 0.205508 Fe\n0.000000 0.209014 0.096016 Fe\n0.000000 0.790986 0.903984 Fe\n0.500000 0.000000 0.000000 Co\n0.500000 0.573749 0.895560 O\n0.000000 0.829336 0.803051 O\n0.000000 0.399165 0.797930 O\n0.500000 0.155587 0.686315 O\n0.500000 0.590356 0.699484 O\n0.000000 0.975099 0.594713 O\n0.000000 0.410558 0.601585 O\n0.500000 0.224136 0.506670 O\n0.500000 0.775864 0.493330 O\n0.000000 0.024901 0.405287 O\n0.000000 0.589442 0.398415 O\n0.500000 0.844413 0.313685 O\n0.500000 0.409644 0.300516 O\n0.000000 0.170664 0.196949 O\n0.000000 0.600835 0.202070 O\n0.500000 0.974625 0.089193 O\n0.500000 0.426251 0.104440 O\n0.000000 0.206905 0.999561 O\n0.000000 0.793095 0.000439 O\n0.500000 0.025375 0.910807 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.109021010130953,
"density_atomic": 0.0925264017820131,
"volume": 367.4626846519121,
"volume_molar": 6.5085647382979595,
"formula_full": "Li4 Fe9 Co1 O20",
"formula_reduced": "Li4Fe9CoO20",
"formula_anonymous": "AB4C9D20",
"energy": -241.60025718,
"energy_per_atom": -7.105889917058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -205.91825718,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 40.9999764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.852000Z",
"spacegroup": 10
},
{
"id": "mp-7284",
"created_at": "2022-09-04T14:45:10.358223Z",
"structure_string": "U2 Si4\n1.0\n-1.947824 1.947824 7.062400\n1.947824 -1.947824 7.062400\n1.947824 1.947824 -7.062400\nU Si\n2 4\ndirect\n0.750000 0.250000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.168388 0.668388 0.500000 Si\n0.581612 0.581612 0.000000 Si\n0.331612 0.831612 0.500000 Si\n0.418388 0.418388 0.000000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Si"
],
"chemical_system": "Si-U",
"density": 9.11611721129002,
"density_atomic": 0.05598085436193939,
"volume": 107.179500355738,
"volume_molar": 10.75750062881207,
"formula_full": "U2 Si4",
"formula_reduced": "USi2",
"formula_anonymous": "AB2",
"energy": -45.87257366,
"energy_per_atom": -7.645428943333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.15657366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.621939,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.513000Z",
"spacegroup": 141
},
{
"id": "mp-16304",
"created_at": "2022-09-04T14:45:10.374766Z",
"structure_string": "Y1 P1 Pt1\n1.0\n2.066125 -3.578634 0.000000\n2.066125 3.578634 0.000000\n0.000000 0.000000 3.914880\nY P Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.666667 0.333333 0.500000 P\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"P",
"Pt"
],
"chemical_system": "P-Pt-Y",
"density": 9.034147004504872,
"density_atomic": 0.05182018130379632,
"volume": 57.89250296930592,
"volume_molar": 11.621226727662608,
"formula_full": "Y1 P1 Pt1",
"formula_reduced": "YPPt",
"formula_anonymous": "ABC",
"energy": -22.00717374,
"energy_per_atom": -7.33572458,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.00717374,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003646,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.224000Z",
"spacegroup": 187
},
{
"id": "mp-4366",
"created_at": "2022-09-04T14:45:10.376259Z",
"structure_string": "Na2 Pt1 C2\n1.0\n2.278517 -3.946508 0.000000\n2.278517 3.946508 0.000000\n0.000000 0.000000 5.225934\nNa Pt C\n2 1 2\ndirect\n0.666667 0.333333 0.729843 Na\n0.333333 0.666667 0.270157 Na\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.621795 C\n0.000000 0.000000 0.378205 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Pt",
"C"
],
"chemical_system": "C-Na-Pt",
"density": 4.683547977841436,
"density_atomic": 0.05319990140091935,
"volume": 93.9851365948884,
"volume_molar": 11.319834438444902,
"formula_full": "Na2 Pt1 C2",
"formula_reduced": "Na2PtC2",
"formula_anonymous": "AB2C2",
"energy": -27.43899859,
"energy_per_atom": -5.487799718,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.43899859,
"band_gap": 0.9292,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.41e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:47.638000Z",
"spacegroup": 164
},
{
"id": "mp-973004",
"created_at": "2022-09-04T14:45:10.377567Z",
"structure_string": "Sc1 Ru3\n1.0\n3.938437 0.000000 0.000000\n0.000000 3.938437 0.000000\n0.000000 0.000000 3.938437\nSc Ru\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Ru"
],
"chemical_system": "Ru-Sc",
"density": 9.463758239400333,
"density_atomic": 0.0654769261339678,
"volume": 61.09022271167522,
"volume_molar": 9.197348005736426,
"formula_full": "Sc1 Ru3",
"formula_reduced": "ScRu3",
"formula_anonymous": "AB3",
"energy": -34.34582112,
"energy_per_atom": -8.58645528,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.34582112,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.5481672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:52.555000Z",
"spacegroup": 221
},
{
"id": "mp-1194009",
"created_at": "2022-09-04T14:45:10.380872Z",
"structure_string": "Mg1 U8 Se17\n1.0\n6.844311 4.376311 -1.450839\n6.844311 -4.376311 -1.450839\n0.006253 0.000000 -10.988146\nMg U Se\n1 8 17\ndirect\n0.000000 0.000000 0.000000 Mg\n0.182055 0.697076 0.699537 U\n0.697076 0.182055 0.699537 U\n0.817945 0.302924 0.300463 U\n0.302924 0.817945 0.300463 U\n0.798741 0.798741 0.460140 U\n0.201259 0.201259 0.539860 U\n0.320175 0.320175 0.011228 U\n0.679825 0.679825 0.988772 U\n0.181027 0.565256 0.464666 Se\n0.565256 0.181027 0.464666 Se\n0.818973 0.434744 0.535334 Se\n0.434744 0.818973 0.535334 Se\n0.056092 0.671315 0.963904 Se\n0.671315 0.056092 0.963904 Se\n0.943908 0.328685 0.036096 Se\n0.328685 0.943908 0.036096 Se\n0.786368 0.786368 0.723331 Se\n0.213632 0.213632 0.276669 Se\n0.940620 0.940620 0.234286 Se\n0.059380 0.059380 0.765714 Se\n0.699834 0.699834 0.247899 Se\n0.300166 0.300166 0.752101 Se\n0.479344 0.479344 0.171218 Se\n0.520656 0.520656 0.828782 Se\n0.000000 0.000000 0.500000 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"U",
"Se"
],
"chemical_system": "Mg-Se-U",
"density": 8.25221665756695,
"density_atomic": 0.03950330303377097,
"volume": 658.172810961475,
"volume_molar": 15.244651200057204,
"formula_full": "Mg1 U8 Se17",
"formula_reduced": "MgU8Se17",
"formula_anonymous": "AB8C17",
"energy": -189.37752322,
"energy_per_atom": -7.283750893076923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.35352322,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.892258,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:50.349000Z",
"spacegroup": 12
},
{
"id": "mp-1111577",
"created_at": "2022-09-04T14:45:10.382731Z",
"structure_string": "K2 Tl1 In1 Cl6\n1.0\n0.000000 5.566608 5.566608\n5.566608 0.000000 5.566608\n5.566608 5.566608 0.000000\nK Tl In Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 In\n0.771452 0.228548 0.228548 Cl\n0.228548 0.228548 0.771452 Cl\n0.228548 0.771452 0.771452 Cl\n0.228548 0.771452 0.228548 Cl\n0.771452 0.228548 0.771452 Cl\n0.771452 0.771452 0.228548 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"In",
"Cl"
],
"chemical_system": "Cl-In-K-Tl",
"density": 2.936699617769308,
"density_atomic": 0.028986653968789546,
"volume": 344.98635167643636,
"volume_molar": 20.775563700743618,
"formula_full": "K2 Tl1 In1 Cl6",
"formula_reduced": "K2TlInCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.036991,
"energy_per_atom": -3.6036991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.352991,
"band_gap": 2.5682,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.84e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:48.998000Z",
"spacegroup": 225
},
{
"id": "mp-1311133",
"created_at": "2022-09-04T14:45:10.387510Z",
"structure_string": "Co4 Cu3 O12\n1.0\n-2.928351 5.121902 -2.011844\n2.872535 5.118623 2.080130\n5.859406 -0.046135 -2.127521\nCo Cu O\n4 3 12\ndirect\n0.000050 0.499968 0.000076 Co\n0.000101 0.999969 0.500029 Co\n0.499928 0.499995 0.499963 Co\n0.499958 0.000033 0.999872 Co\n0.500230 0.999877 0.500097 Cu\n0.999865 0.500161 0.500029 Cu\n0.499955 0.499926 0.000099 Cu\n0.179238 0.137067 0.673640 O\n0.820649 0.863120 0.326284 O\n0.182531 0.501238 0.319538 O\n0.314087 0.183480 0.134287 O\n0.863854 0.294890 0.192421 O\n0.503151 0.331726 0.804436 O\n0.691493 0.171917 0.524879 O\n0.136270 0.704956 0.807551 O\n0.817301 0.498894 0.680501 O\n0.685982 0.816464 0.865721 O\n0.496850 0.668224 0.195562 O\n0.308508 0.828094 0.475015 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Co",
"Cu",
"O"
],
"chemical_system": "Co-Cu-O",
"density": 5.522184266869717,
"density_atomic": 0.10218131676117545,
"volume": 185.94397295161096,
"volume_molar": 5.893583045201231,
"formula_full": "Co4 Cu3 O12",
"formula_reduced": "Co4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy": -118.00879665,
"energy_per_atom": -6.210989297368421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.21279665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9081205,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.745000Z",
"spacegroup": 12
},
{
"id": "mp-556391",
"created_at": "2022-09-04T14:45:10.391572Z",
"structure_string": "Ba4 Mn4 Bi4 O2\n1.0\n4.895147 -0.000004 0.000000\n-2.447576 4.239317 0.000000\n0.000002 0.000001 20.482410\nBa Mn Bi O\n4 4 4 2\ndirect\n0.999999 0.000001 0.749992 Ba\n0.000000 0.000001 0.249992 Ba\n0.000000 0.000001 0.499994 Ba\n0.000000 0.000001 0.999994 Ba\n0.333345 0.666654 0.848876 Mn\n0.666662 0.333338 0.348882 Mn\n0.666663 0.333338 0.151161 Mn\n0.333334 0.666663 0.651163 Mn\n0.666667 0.333334 0.888931 Bi\n0.666667 0.333334 0.611058 Bi\n0.333333 0.666668 0.388931 Bi\n0.333333 0.666668 0.111058 Bi\n0.666667 0.333334 0.249984 O\n0.333333 0.666667 0.749984 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Mn-O",
"density": 6.395141285535727,
"density_atomic": 0.032937114880647884,
"volume": 425.05240822491294,
"volume_molar": 18.283753090767195,
"formula_full": "Ba4 Mn4 Bi4 O2",
"formula_reduced": "Ba2Mn2Bi2O",
"formula_anonymous": "AB2C2D2",
"energy": -84.47615561,
"energy_per_atom": -6.034011115,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.43015561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.925000Z",
"spacegroup": 194
},
{
"id": "mp-582433",
"created_at": "2022-09-04T14:45:10.398211Z",
"structure_string": "Gd1 Ni2 As2\n1.0\n-2.026540 2.026540 4.984667\n2.026540 -2.026540 4.984667\n2.026540 2.026540 -4.984667\nGd Ni As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.750000 0.250000 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.370726 0.370726 0.000000 As\n0.629274 0.629274 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Gd",
"Ni",
"As"
],
"chemical_system": "As-Gd-Ni",
"density": 8.607951820496744,
"density_atomic": 0.06106094225433926,
"volume": 81.88540522636102,
"volume_molar": 9.862508729255714,
"formula_full": "Gd1 Ni2 As2",
"formula_reduced": "Gd(NiAs)2",
"formula_anonymous": "AB2C2",
"energy": -38.88559624,
"energy_per_atom": -7.777119248,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.88559624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9214575,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.557000Z",
"spacegroup": 139
}
]
}