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=formula_anonymous&page=10216",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=10214",
"results": [
{
"id": "mp-753988",
"created_at": "2022-09-04T14:41:53.198658Z",
"structure_string": "V4 Cr4 O12\n1.0\n5.116499 0.000000 0.000000\n0.001414 5.496804 0.000000\n0.006531 0.756411 7.468026\nV Cr O\n4 4 12\ndirect\n0.498925 0.200175 0.850697 V\n0.999590 0.702286 0.850772 V\n0.500524 0.794486 0.647563 V\n0.999590 0.300545 0.149467 V\n0.998994 0.300351 0.649246 Cr\n0.500304 0.200937 0.350812 Cr\n0.000530 0.699186 0.349008 Cr\n0.500883 0.803557 0.152738 Cr\n0.301006 0.495947 0.748180 O\n0.851162 0.346050 0.900554 O\n0.650798 0.149954 0.598821 O\n0.195116 0.998431 0.748806 O\n0.151262 0.350495 0.400875 O\n0.650017 0.845679 0.902725 O\n0.848713 0.648645 0.596586 O\n0.351511 0.152977 0.100332 O\n0.347534 0.851229 0.400224 O\n0.153732 0.655383 0.099938 O\n0.697494 0.502962 0.251162 O\n0.802315 0.000725 0.251492 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 4.773230239721962,
"density_atomic": 0.09522281789154023,
"volume": 210.03369195375214,
"volume_molar": 6.3242622864398745,
"formula_full": "V4 Cr4 O12",
"formula_reduced": "VCrO3",
"formula_anonymous": "ABC3",
"energy": -183.11036012,
"energy_per_atom": -9.155518006,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.07036012,
"band_gap": 0.9512,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9997955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.558000Z",
"spacegroup": 1
},
{
"id": "mp-1187518",
"created_at": "2022-09-04T14:41:48.740778Z",
"structure_string": "Yb1 Tc1 O3\n1.0\n3.903073 0.000000 0.000000\n0.000000 3.903073 0.000000\n0.000000 0.000000 3.903073\nYb Tc O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Tc\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Tc",
"O"
],
"chemical_system": "O-Tc-Yb",
"density": 8.909878086748487,
"density_atomic": 0.08409109005031598,
"volume": 59.45933150596865,
"volume_molar": 7.16144927648892,
"formula_full": "Yb1 Tc1 O3",
"formula_reduced": "YbTcO3",
"formula_anonymous": "ABC3",
"energy": -39.2835137,
"energy_per_atom": -7.85670274,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.2225137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0352302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.556000Z",
"spacegroup": 221
},
{
"id": "mp-18656",
"created_at": "2022-09-04T14:41:53.529415Z",
"structure_string": "Gd4 Ga4 O12\n1.0\n5.373171 0.000000 0.000000\n0.000000 5.619652 0.000000\n0.000000 0.000000 7.703354\nGd Ga O\n4 4 12\ndirect\n0.016917 0.936924 0.750000 Gd\n0.516917 0.563076 0.250000 Gd\n0.483083 0.436924 0.750000 Gd\n0.983083 0.063076 0.250000 Gd\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.698722 0.301024 0.447091 O\n0.198722 0.198976 0.552909 O\n0.801278 0.801025 0.052909 O\n0.301278 0.698975 0.947091 O\n0.301278 0.698975 0.552909 O\n0.801278 0.801025 0.447091 O\n0.198722 0.198976 0.947091 O\n0.698722 0.301024 0.052909 O\n0.101968 0.467668 0.250000 O\n0.601968 0.032332 0.750000 O\n0.398032 0.967668 0.250000 O\n0.898032 0.532332 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Gd",
"Ga",
"O"
],
"chemical_system": "Ga-Gd-O",
"density": 7.85192888029128,
"density_atomic": 0.08598249738693381,
"volume": 232.60547911276728,
"volume_molar": 7.0039146838216215,
"formula_full": "Gd4 Ga4 O12",
"formula_reduced": "GdGaO3",
"formula_anonymous": "ABC3",
"energy": -189.34708386,
"energy_per_atom": -9.467354193,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.10308386,
"band_gap": 3.3962000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0001128,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.285000Z",
"spacegroup": 62
},
{
"id": "mp-4551",
"created_at": "2022-09-04T14:41:52.788492Z",
"structure_string": "Sr1 Hf1 O3\n1.0\n4.141206 0.000000 0.000000\n0.000000 4.141206 0.000000\n0.000000 0.000000 4.141206\nSr Hf O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hf\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Hf",
"O"
],
"chemical_system": "Hf-O-Sr",
"density": 7.34425703345636,
"density_atomic": 0.07040273009169855,
"volume": 71.01997313864919,
"volume_molar": 8.55384550024729,
"formula_full": "Sr1 Hf1 O3",
"formula_reduced": "SrHfO3",
"formula_anonymous": "ABC3",
"energy": -45.39053625999999,
"energy_per_atom": -9.078107251999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.32953626,
"band_gap": 3.7226,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.746000Z",
"spacegroup": 221
},
{
"id": "mp-1076360",
"created_at": "2022-09-04T14:41:51.100997Z",
"structure_string": "Rb1 Cr1 O3\n1.0\n3.946930 0.000000 0.000000\n0.000000 3.946930 0.000000\n0.000000 0.000000 3.946930\nRb Cr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"O"
],
"chemical_system": "Cr-O-Rb",
"density": 5.008711280005005,
"density_atomic": 0.08131894431480516,
"volume": 61.486287631130566,
"volume_molar": 7.405581578490305,
"formula_full": "Rb1 Cr1 O3",
"formula_reduced": "RbCrO3",
"formula_anonymous": "ABC3",
"energy": -33.26602518,
"energy_per_atom": -6.653205036,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.20602518,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9996848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:28.886000Z",
"spacegroup": 221
},
{
"id": "mp-1186533",
"created_at": "2022-09-04T14:41:48.777145Z",
"structure_string": "Pm1 Be1 O3\n1.0\n3.638462 0.000000 0.000000\n0.000000 3.638462 0.000000\n0.000000 0.000000 3.638462\nPm Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Be\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pm",
"Be",
"O"
],
"chemical_system": "Be-O-Pm",
"density": 6.964168280987622,
"density_atomic": 0.10380457000207045,
"volume": 48.16743617261043,
"volume_molar": 5.8014216135955134,
"formula_full": "Pm1 Be1 O3",
"formula_reduced": "PmBeO3",
"formula_anonymous": "ABC3",
"energy": -37.76244841,
"energy_per_atom": -7.552489681999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.70144841,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9998513,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:30.593000Z",
"spacegroup": 221
},
{
"id": "mp-1206878",
"created_at": "2022-09-04T14:41:51.562013Z",
"structure_string": "Tb3 Ga1 C1\n1.0\n4.885899 0.000000 0.000000\n0.000000 4.885899 0.000000\n0.000000 0.000000 4.885899\nTb Ga C\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"C"
],
"chemical_system": "C-Ga-Tb",
"density": 7.951451260141187,
"density_atomic": 0.04286832839659249,
"volume": 116.63622508773724,
"volume_molar": 14.047995303867939,
"formula_full": "Tb3 Ga1 C1",
"formula_reduced": "Tb3GaC",
"formula_anonymous": "ABC3",
"energy": -28.24267049,
"energy_per_atom": -5.648534098,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.24267049,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.026000Z",
"spacegroup": 221
},
{
"id": "mp-1096988",
"created_at": "2022-09-04T14:41:51.256023Z",
"structure_string": "Ga2 Cu2 Br6\n1.0\n-3.821598 3.821598 4.818426\n3.821598 -3.821598 4.818426\n3.821598 3.821598 -4.818426\nGa Cu Br\n2 2 6\ndirect\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.750000 0.750000 0.000000 Br\n0.250000 0.250000 0.000000 Br\n0.152352 0.652352 0.804705 Br\n0.847648 0.347648 0.195295 Br\n0.652352 0.847648 0.500000 Br\n0.347648 0.152352 0.500000 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Br"
],
"chemical_system": "Br-Cu-Ga",
"density": 4.400587038196068,
"density_atomic": 0.03552587743049429,
"volume": 281.4849547225065,
"volume_molar": 16.951420191611607,
"formula_full": "Ga2 Cu2 Br6",
"formula_reduced": "GaCuBr3",
"formula_anonymous": "ABC3",
"energy": -29.0044701,
"energy_per_atom": -2.9004470099999997,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.8004701,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.052000Z",
"spacegroup": 140
},
{
"id": "mp-675069",
"created_at": "2022-09-04T14:41:55.271485Z",
"structure_string": "Li14 Nb14 O42\n1.0\n5.229927 0.000000 0.000000\n2.610517 4.931253 0.000000\n2.609380 0.186298 30.179014\nLi Nb O\n14 14 42\ndirect\n0.315611 0.399386 0.967021 Li\n0.848598 0.488621 0.814668 Li\n0.027031 0.048650 0.897122 Li\n0.277308 0.773570 0.672680 Li\n0.562413 0.129902 0.743959 Li\n0.706116 0.059120 0.529589 Li\n0.990836 0.416270 0.601032 Li\n0.134673 0.344873 0.386733 Li\n0.419466 0.701983 0.458149 Li\n0.563284 0.630365 0.243925 Li\n0.848035 0.987688 0.315309 Li\n0.991072 0.916273 0.100947 Li\n0.276891 0.273266 0.172605 Li\n0.702619 0.567336 0.029539 Li\n0.019538 0.971999 0.997603 Nb\n0.448654 0.253206 0.854297 Nb\n0.720441 0.625033 0.924696 Nb\n0.880220 0.526486 0.712070 Nb\n0.166699 0.884069 0.783862 Nb\n0.309950 0.810535 0.569121 Nb\n0.595746 0.168189 0.640593 Nb\n0.738603 0.096245 0.426236 Nb\n0.024844 0.453399 0.497653 Nb\n0.167174 0.382050 0.283402 Nb\n0.453399 0.739148 0.354793 Nb\n0.594150 0.670086 0.140826 Nb\n0.881634 0.025429 0.212048 Nb\n0.306500 0.316344 0.069777 Nb\n0.443610 0.967815 0.893672 O\n0.427834 0.776790 0.982437 O\n0.917396 0.853312 0.946458 O\n0.525646 0.422609 0.910613 O\n0.001314 0.488381 0.875172 O\n0.870626 0.257126 0.751762 O\n0.973016 0.329532 0.965366 O\n0.857305 0.086617 0.839098 O\n0.328413 0.152956 0.803553 O\n0.934028 0.726523 0.767935 O\n0.429631 0.798118 0.732370 O\n0.298852 0.541984 0.608947 O\n0.412332 0.606384 0.821839 O\n0.286257 0.368368 0.696294 O\n0.754686 0.440116 0.660717 O\n0.362836 0.010592 0.624839 O\n0.858764 0.082667 0.589180 O\n0.727289 0.827858 0.466077 O\n0.835276 0.899799 0.680443 O\n0.715871 0.653582 0.553388 O\n0.183509 0.725589 0.517669 O\n0.791331 0.296312 0.481948 O\n0.287546 0.368415 0.446243 O\n0.155846 0.113588 0.323219 O\n0.264364 0.185113 0.537508 O\n0.144484 0.939310 0.410518 O\n0.612069 0.011311 0.374800 O\n0.219925 0.581970 0.339107 O\n0.716190 0.654051 0.303399 O\n0.584734 0.399755 0.180433 O\n0.692963 0.470871 0.394646 O\n0.573108 0.224980 0.267729 O\n0.040778 0.296936 0.231991 O\n0.648024 0.868229 0.196535 O\n0.144430 0.940271 0.160691 O\n0.015432 0.685555 0.036307 O\n0.121459 0.756738 0.251808 O\n0.000615 0.514376 0.125187 O\n0.467967 0.585291 0.089511 O\n0.074640 0.155482 0.054186 O\n0.567867 0.232123 0.018234 O\n0.549373 0.043720 0.109004 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 4.415984295457482,
"density_atomic": 0.08993734892306078,
"volume": 778.319584001562,
"volume_molar": 6.695928701602929,
"formula_full": "Li14 Nb14 O42",
"formula_reduced": "LiNbO3",
"formula_anonymous": "ABC3",
"energy": -578.8208020000001,
"energy_per_atom": -8.268868600000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -549.966802,
"band_gap": 3.0231000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009241,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.452000Z",
"spacegroup": 1
},
{
"id": "mp-3205",
"created_at": "2022-09-04T14:41:51.260446Z",
"structure_string": "Ca2 C2 O6\n1.0\n4.343253 0.000000 0.000000\n0.000000 4.961191 0.000000\n0.000000 0.000000 5.140678\nCa C O\n2 2 6\ndirect\n0.607525 0.500000 0.000000 Ca\n0.392475 0.000000 0.500000 Ca\n0.989844 0.000000 0.000000 C\n0.010156 0.500000 0.500000 C\n0.130308 0.228971 0.000000 O\n0.130308 0.771029 0.000000 O\n0.312307 0.500000 0.500000 O\n0.687693 0.000000 0.000000 O\n0.869692 0.271029 0.500000 O\n0.869692 0.728971 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O",
"density": 3.000784819551508,
"density_atomic": 0.09027729193358663,
"volume": 110.76982689463699,
"volume_molar": 6.6707148952033775,
"formula_full": "Ca2 C2 O6",
"formula_reduced": "CaCO3",
"formula_anonymous": "ABC3",
"energy": -77.34772092,
"energy_per_atom": -7.734772092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.22572092,
"band_gap": 4.275500000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003809,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.151000Z",
"spacegroup": 59
},
{
"id": "mp-1374707",
"created_at": "2022-09-04T14:41:52.978635Z",
"structure_string": "Al6 Sb6 O18\n1.0\n2.839732 -4.918560 0.000000\n2.839732 4.918560 0.000000\n0.000000 0.000000 13.101949\nAl Sb O\n6 6 18\ndirect\n0.666667 0.333333 0.266094 Al\n0.333333 0.666667 0.766094 Al\n0.666667 0.333333 0.766094 Al\n0.333333 0.666667 0.266094 Al\n0.000000 0.000000 0.729902 Al\n0.000000 0.000000 0.229902 Al\n0.703232 0.000000 0.483946 Sb\n0.703232 0.703232 0.983946 Sb\n0.000000 0.296768 0.983946 Sb\n0.000000 0.703232 0.483946 Sb\n0.296768 0.296768 0.483946 Sb\n0.296768 0.000000 0.983946 Sb\n0.666667 0.333333 0.027141 O\n0.333333 0.666667 0.527141 O\n0.666667 0.333333 0.527141 O\n0.333333 0.666667 0.027141 O\n0.000000 0.000000 0.864289 O\n0.000000 0.000000 0.364289 O\n0.473461 0.000000 0.851790 O\n0.473461 0.473461 0.351790 O\n0.000000 0.526539 0.351790 O\n0.000000 0.473461 0.851790 O\n0.526539 0.526539 0.851790 O\n0.526539 0.000000 0.351790 O\n0.315612 0.000000 0.195710 O\n0.315612 0.315612 0.695710 O\n0.000000 0.684388 0.695710 O\n0.000000 0.315612 0.195710 O\n0.684388 0.684388 0.195710 O\n0.684388 0.000000 0.695710 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Al",
"Sb",
"O"
],
"chemical_system": "Al-O-Sb",
"density": 5.355637929534241,
"density_atomic": 0.08196718596838652,
"volume": 366.00012121400067,
"volume_molar": 7.347014160425914,
"formula_full": "Al6 Sb6 O18",
"formula_reduced": "AlSbO3",
"formula_anonymous": "ABC3",
"energy": -201.80197221,
"energy_per_atom": -6.726732407,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.43597221,
"band_gap": 1.2462,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.682000Z",
"spacegroup": 185
},
{
"id": "mp-754323",
"created_at": "2022-09-04T14:41:51.161041Z",
"structure_string": "Tm2 Bi2 O6\n1.0\n5.326480 -2.983564 0.000000\n5.326480 2.983564 0.000000\n3.655273 0.000000 4.889992\nTm Bi O\n2 2 6\ndirect\n0.777988 0.777988 0.777988 Tm\n0.277988 0.277988 0.277988 Tm\n0.992126 0.992126 0.992126 Bi\n0.492126 0.492126 0.492126 Bi\n0.584946 0.924821 0.141709 O\n0.641709 0.424821 0.084946 O\n0.084946 0.641709 0.424821 O\n0.141709 0.584946 0.924821 O\n0.924821 0.141709 0.584946 O\n0.424821 0.084946 0.641709 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Bi",
"O"
],
"chemical_system": "Bi-O-Tm",
"density": 9.10093457425762,
"density_atomic": 0.06434076151955868,
"volume": 155.422468802458,
"volume_molar": 9.359759843951107,
"formula_full": "Tm2 Bi2 O6",
"formula_reduced": "TmBiO3",
"formula_anonymous": "ABC3",
"energy": -74.7916348,
"energy_per_atom": -7.4791634799999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.6696348,
"band_gap": 3.1128000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.65e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.975000Z",
"spacegroup": 161
}
]
}