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=10184",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10182",
"results": [
{
"id": "mp-997046",
"created_at": "2022-09-04T14:48:15.469492Z",
"structure_string": "Au2 Cl2 O4\n1.0\n3.432030 0.000000 0.000000\n0.000000 4.459390 0.000000\n0.000000 2.120120 11.796190\nAu Cl O\n2 2 4\ndirect\n0.250000 0.866280 0.072800 Au\n0.750000 0.133720 0.927200 Au\n0.750000 0.630480 0.201580 Cl\n0.250000 0.369520 0.798420 Cl\n0.250000 0.143760 0.434170 O\n0.750000 0.136690 0.549770 O\n0.750000 0.856240 0.565830 O\n0.250000 0.863310 0.450230 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"Cl",
"O"
],
"chemical_system": "Au-Cl-O",
"density": 4.86409921740735,
"density_atomic": 0.04431203517174059,
"volume": 180.5378599514629,
"volume_molar": 13.590305064210956,
"formula_full": "Au2 Cl2 O4",
"formula_reduced": "AuClO2",
"formula_anonymous": "ABC2",
"energy": -32.52337102,
"energy_per_atom": -4.0654213775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.65137102,
"band_gap": 0.8831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:43.618000Z",
"spacegroup": 11
},
{
"id": "mp-11169",
"created_at": "2022-09-04T14:48:15.472500Z",
"structure_string": "Ba1 P2 Ir2\n1.0\n-1.995365 1.995365 6.396127\n1.995365 -1.995365 6.396127\n1.995365 1.995365 -6.396127\nBa P Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.648623 0.648623 0.000000 P\n0.351377 0.351377 0.000000 P\n0.250000 0.750000 0.500000 Ir\n0.750000 0.250000 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"P",
"Ir"
],
"chemical_system": "Ba-Ir-P",
"density": 9.515319226555592,
"density_atomic": 0.04908493659281791,
"volume": 101.86424485942187,
"volume_molar": 12.268816419090898,
"formula_full": "Ba1 P2 Ir2",
"formula_reduced": "Ba(PIr)2",
"formula_anonymous": "AB2C2",
"energy": -34.65309461,
"energy_per_atom": -6.930618921999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.65309461,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:40:01.337000Z",
"spacegroup": 139
},
{
"id": "mp-675679",
"created_at": "2022-09-04T14:48:15.479686Z",
"structure_string": "U2 Ta4 O14\n1.0\n-3.686474 3.743905 5.275276\n3.686474 -3.743905 5.275276\n3.686474 3.743905 -5.275276\nU Ta O\n2 4 14\ndirect\n0.500000 0.500000 0.000000 U\n0.000000 0.500000 0.500000 U\n0.500000 0.000000 0.500000 Ta\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.000000 Ta\n0.305128 0.055128 0.250000 O\n0.317095 0.083999 0.640235 O\n0.943764 0.083999 0.266904 O\n0.317095 0.676860 0.233096 O\n0.928673 0.678673 0.250000 O\n0.682905 0.916001 0.359765 O\n0.694872 0.944872 0.750000 O\n0.943764 0.676860 0.859765 O\n0.682905 0.323140 0.766904 O\n0.056236 0.916001 0.733096 O\n0.336880 0.586880 0.750000 O\n0.056236 0.323140 0.140235 O\n0.071327 0.321327 0.750000 O\n0.663120 0.413120 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Ta",
"O"
],
"chemical_system": "O-Ta-U",
"density": 8.118380459256567,
"density_atomic": 0.06867344309649061,
"volume": 291.23339530098576,
"volume_molar": 8.769242502576295,
"formula_full": "U2 Ta4 O14",
"formula_reduced": "UTa2O7",
"formula_anonymous": "AB2C7",
"energy": -207.52245756,
"energy_per_atom": -10.376122878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -197.90445756,
"band_gap": 0.0949999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0006882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:44.457000Z",
"spacegroup": 74
},
{
"id": "mp-1024994",
"created_at": "2022-09-04T14:48:15.485243Z",
"structure_string": "Ho1 Cu4 Au1\n1.0\n0.000000 3.569416 3.569416\n3.569416 0.000000 3.569416\n3.569416 3.569416 0.000000\nHo Cu Au\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.625809 0.625809 0.625809 Cu\n0.625809 0.625809 0.122572 Cu\n0.625809 0.122572 0.625809 Cu\n0.122572 0.625809 0.625809 Cu\n0.000000 0.000000 0.000000 Au\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Ho",
"density": 11.247741864022336,
"density_atomic": 0.06596745911463767,
"volume": 90.95393517542115,
"volume_molar": 9.128956671705025,
"formula_full": "Ho1 Cu4 Au1",
"formula_reduced": "HoCu4Au",
"formula_anonymous": "ABC4",
"energy": -26.34400198,
"energy_per_atom": -4.390666996666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.34400198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.589000Z",
"spacegroup": 216
},
{
"id": "mp-29146",
"created_at": "2022-09-04T14:48:15.488725Z",
"structure_string": "V4 Sb4 O16\n1.0\n5.368934 0.002685 -1.759454\n2.550137 4.569525 2.130001\n2.816124 -4.570200 7.407208\nV Sb O\n4 4 16\ndirect\n0.496448 0.496448 0.503725 V\n0.871391 0.871390 0.628574 V\n0.996452 0.996452 0.003693 V\n0.371400 0.371402 0.128460 V\n0.753338 0.753337 0.246636 Sb\n0.253352 0.253352 0.746660 Sb\n0.628415 0.628416 0.871642 Sb\n0.128393 0.128394 0.371650 Sb\n0.648778 0.648776 0.653944 O\n0.148749 0.148747 0.153967 O\n0.175225 0.569563 0.627602 O\n0.675206 0.069567 0.127623 O\n0.069565 0.675210 0.127622 O\n0.569562 0.175227 0.627602 O\n0.845794 0.845792 0.851213 O\n0.345788 0.345787 0.351211 O\n0.598580 0.598579 0.093008 O\n0.098560 0.098559 0.592992 O\n0.819260 0.436260 0.372280 O\n0.319245 0.936249 0.872270 O\n0.936250 0.319242 0.872272 O\n0.436260 0.819258 0.372280 O\n0.406992 0.406992 0.901563 O\n0.906994 0.906993 0.401516 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Sb",
"O"
],
"chemical_system": "O-Sb-V",
"density": 5.673714491285428,
"density_atomic": 0.08661099423795104,
"volume": 277.10107950110245,
"volume_molar": 6.953090439598291,
"formula_full": "V4 Sb4 O16",
"formula_reduced": "VSbO4",
"formula_anonymous": "ABC4",
"energy": -185.66215472,
"energy_per_atom": -7.735923113333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.87015472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:47.451000Z",
"spacegroup": 109
},
{
"id": "mp-1383198",
"created_at": "2022-09-04T14:48:15.492676Z",
"structure_string": "Mn1 V1 P2 H2 O10\n1.0\n5.148896 0.000000 0.000000\n-0.806408 5.187304 0.000000\n-1.940915 -2.757235 6.399054\nMn V P H O\n1 1 2 2 10\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 V\n0.326759 0.658983 0.223549 P\n0.673241 0.341017 0.776451 P\n0.644591 0.968538 0.332320 H\n0.355409 0.031462 0.667680 H\n0.142643 0.970024 0.723441 O\n0.290268 0.817219 0.379848 O\n0.725543 0.651198 0.655555 O\n0.636687 0.767672 0.060073 O\n0.112592 0.680953 0.117920 O\n0.887408 0.319047 0.882080 O\n0.363313 0.232328 0.939927 O\n0.274457 0.348802 0.344445 O\n0.709732 0.182781 0.620152 O\n0.857357 0.029976 0.276559 O\n",
"nsites": 16,
"nelements": 5,
"elements": [
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Mn-O-P-V",
"density": 3.204621977153682,
"density_atomic": 0.09361563496964405,
"volume": 170.9116218160373,
"volume_molar": 6.432836525600397,
"formula_full": "Mn1 V1 P2 H2 O10",
"formula_reduced": "MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E10",
"energy": -73.23964786,
"energy_per_atom": -4.57747799125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.64364786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0876928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.337000Z",
"spacegroup": 2
},
{
"id": "mp-1184846",
"created_at": "2022-09-04T14:48:15.496209Z",
"structure_string": "Ho1 Th1 Ru2\n1.0\n0.000000 3.473446 3.473446\n3.473446 0.000000 3.473446\n3.473446 3.473446 0.000000\nHo Th Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ho",
"Th",
"Ru"
],
"chemical_system": "Ho-Ru-Th",
"density": 11.869784701204749,
"density_atomic": 0.047725264190931205,
"volume": 83.81305096599304,
"volume_molar": 12.618349761056603,
"formula_full": "Ho1 Th1 Ru2",
"formula_reduced": "HoThRu2",
"formula_anonymous": "ABC2",
"energy": -32.32792527,
"energy_per_atom": -8.0819813175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.32792527,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0018106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:05.019000Z",
"spacegroup": 225
},
{
"id": "mp-1187669",
"created_at": "2022-09-04T14:48:15.497314Z",
"structure_string": "Yb1 Dy3\n1.0\n-2.532453 2.532453 5.074817\n2.532453 -2.532453 5.074817\n2.532453 2.532453 -5.074817\nYb Dy\n1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.750000 0.250000 0.500000 Dy\n0.250000 0.750000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Dy"
],
"chemical_system": "Dy-Yb",
"density": 8.425293800807474,
"density_atomic": 0.030725349096407232,
"volume": 130.18566485442233,
"volume_molar": 19.5999099671879,
"formula_full": "Yb1 Dy3",
"formula_reduced": "YbDy3",
"formula_anonymous": "AB3",
"energy": -14.92926259,
"energy_per_atom": -3.7323156475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.92926259,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:05.193000Z",
"spacegroup": 139
},
{
"id": "mp-753210",
"created_at": "2022-09-04T14:48:15.503368Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.822539 0.000000 0.000000\n0.022276 6.200481 0.000000\n0.412796 0.057370 9.625105\nFe O F\n8 6 10\ndirect\n0.015919 0.006015 0.982596 Fe\n0.950789 0.488251 0.011618 Fe\n0.028892 0.001746 0.486867 Fe\n0.989838 0.498552 0.506153 Fe\n0.480106 0.261483 0.257533 Fe\n0.477434 0.740704 0.254882 Fe\n0.536826 0.251785 0.763971 Fe\n0.505351 0.750241 0.746865 Fe\n0.808024 0.260630 0.903935 O\n0.680855 0.502059 0.160126 O\n0.691952 0.502657 0.652669 O\n0.324600 0.000356 0.335270 O\n0.283753 0.501203 0.356451 O\n0.336741 0.996269 0.832215 O\n0.796878 0.258395 0.402632 F\n0.797805 0.742695 0.404422 F\n0.800119 0.734787 0.897623 F\n0.702929 0.994909 0.150431 F\n0.713609 0.999538 0.644162 F\n0.297069 0.504555 0.852887 F\n0.196514 0.741166 0.602413 F\n0.186552 0.736670 0.092244 F\n0.196671 0.260771 0.602307 F\n0.200772 0.264565 0.099731 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.227587919700973,
"density_atomic": 0.08338820709109052,
"volume": 287.8104810885692,
"volume_molar": 7.221813455494506,
"formula_full": "Fe8 O6 F10",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy": -168.03145974999998,
"energy_per_atom": -7.001310822916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.24145975,
"band_gap": 1.1787,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.9998582,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:58.310000Z",
"spacegroup": 1
},
{
"id": "mp-1025441",
"created_at": "2022-09-04T14:48:15.512511Z",
"structure_string": "Ta4 Al2 C2\n1.0\n1.552215 -2.688516 0.000000\n1.552215 2.688516 0.000000\n0.000000 0.000000 13.931074\nTa Al C\n4 2 2\ndirect\n0.333333 0.666667 0.410270 Ta\n0.666667 0.333333 0.589730 Ta\n0.666667 0.333333 0.910270 Ta\n0.333333 0.666667 0.089730 Ta\n0.333333 0.666667 0.750000 Al\n0.666667 0.333333 0.250000 Al\n0.000000 0.000000 0.500000 C\n0.000000 0.000000 0.000000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Al",
"C"
],
"chemical_system": "Al-C-Ta",
"density": 11.450463109215853,
"density_atomic": 0.06880355697903394,
"volume": 116.273058418154,
"volume_molar": 8.752659054872828,
"formula_full": "Ta4 Al2 C2",
"formula_reduced": "Ta2AlC",
"formula_anonymous": "ABC2",
"energy": -77.56924513,
"energy_per_atom": -9.69615564125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.56924513,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0036375,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:55.647000Z",
"spacegroup": 194
},
{
"id": "mp-764470",
"created_at": "2022-09-04T14:48:15.516084Z",
"structure_string": "V8 O2 F22\n1.0\n5.273341 0.000000 0.000000\n2.624051 4.770856 0.000000\n2.598278 0.785267 17.244791\nV O F\n8 2 22\ndirect\n0.241978 0.260278 0.752070 V\n0.758022 0.739722 0.247930 V\n0.879392 0.853615 0.870733 V\n0.377364 0.370666 0.374508 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.622636 0.629334 0.625492 V\n0.120608 0.146385 0.129267 V\n0.024523 0.422204 0.184084 O\n0.975477 0.577796 0.815916 O\n0.464405 0.461307 0.713014 F\n0.533914 0.942567 0.689152 F\n0.257666 0.674822 0.913824 F\n0.968716 0.954881 0.211379 F\n0.767083 0.157713 0.411472 F\n0.011884 0.412949 0.662656 F\n0.031284 0.045119 0.788621 F\n0.535595 0.538693 0.286986 F\n0.742334 0.325178 0.086176 F\n0.782541 0.180548 0.934783 F\n0.466086 0.057433 0.310848 F\n0.713044 0.714859 0.963014 F\n0.512232 0.915283 0.160651 F\n0.212942 0.212827 0.462426 F\n0.232917 0.842287 0.588528 F\n0.286956 0.285141 0.036986 F\n0.487768 0.084717 0.839349 F\n0.988116 0.587051 0.337344 F\n0.293617 0.683980 0.437606 F\n0.706383 0.316020 0.562394 F\n0.217459 0.819452 0.065217 F\n0.787058 0.787173 0.537574 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2820178138176725,
"density_atomic": 0.07375812684581096,
"volume": 433.8504971376916,
"volume_molar": 8.164714882997362,
"formula_full": "V8 O2 F22",
"formula_reduced": "V4OF11",
"formula_anonymous": "AB4C11",
"energy": -224.85733223,
"energy_per_atom": -7.0267916321875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.71933223,
"band_gap": 1.486,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0000812,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:54.594000Z",
"spacegroup": 2
},
{
"id": "mp-862854",
"created_at": "2022-09-04T14:48:15.590119Z",
"structure_string": "Pa2 Pd6\n1.0\n2.864982 -4.962294 0.000000\n2.864982 4.962294 0.000000\n0.000000 0.000000 5.071054\nPa Pd\n2 6\ndirect\n0.666667 0.333333 0.250000 Pa\n0.333333 0.666667 0.750000 Pa\n0.835458 0.164542 0.750000 Pd\n0.329084 0.164542 0.750000 Pd\n0.835458 0.670916 0.750000 Pd\n0.164542 0.835458 0.250000 Pd\n0.670916 0.835458 0.250000 Pd\n0.164542 0.329084 0.250000 Pd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pa",
"Pd"
],
"chemical_system": "Pa-Pd",
"density": 12.674847261065771,
"density_atomic": 0.055482671863010466,
"volume": 144.18916269483933,
"volume_molar": 10.854092922685794,
"formula_full": "Pa2 Pd6",
"formula_reduced": "PaPd3",
"formula_anonymous": "AB3",
"energy": -56.29676166,
"energy_per_atom": -7.0370952075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -56.29676166,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:08.892000Z",
"spacegroup": 194
}
]
}