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=-band_gap&page=10177",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-band_gap&page=10175",
"results": [
{
"id": "mp-865499",
"created_at": "2022-09-04T14:47:44.105789Z",
"structure_string": "V2 Tc1 Os1\n1.0\n0.000000 3.023349 3.023349\n3.023349 0.000000 3.023349\n3.023349 3.023349 0.000000\nV Tc Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 V\n0.750000 0.750000 0.750000 V\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Tc",
"Os"
],
"chemical_system": "Os-Tc-V",
"density": 11.720460517301333,
"density_atomic": 0.07237109558676873,
"volume": 55.27068462303756,
"volume_molar": 8.321196067537493,
"formula_full": "V2 Tc1 Os1",
"formula_reduced": "V2TcOs",
"formula_anonymous": "ABC2",
"energy": -41.14824471,
"energy_per_atom": -10.2870611775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.14824471,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0347309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.047000Z",
"spacegroup": 225
},
{
"id": "mp-20211",
"created_at": "2022-09-04T14:47:56.722846Z",
"structure_string": "Mn3 Si1\n1.0\n0.000000 2.828335 2.828335\n2.828335 0.000000 2.828335\n2.828335 2.828335 0.000000\nMn Si\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Si"
],
"chemical_system": "Mn-Si",
"density": 7.078772647934179,
"density_atomic": 0.08839698490591616,
"volume": 45.250412152148996,
"volume_molar": 6.812608785706394,
"formula_full": "Mn3 Si1",
"formula_reduced": "Mn3Si",
"formula_anonymous": "AB3",
"energy": -34.03866498,
"energy_per_atom": -8.509666245,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.10966498,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.8462284,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:17.131000Z",
"spacegroup": 225
},
{
"id": "mp-1035975",
"created_at": "2022-09-04T14:47:56.741362Z",
"structure_string": "Y1 Mg14 Sn1 O16\n1.0\n8.842513 0.000000 0.000000\n0.000000 8.842513 0.000000\n0.000000 0.000000 4.451059\nY Mg Sn O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.262444 0.000000 0.500000 Mg\n0.737556 0.000000 0.500000 Mg\n0.242849 0.500000 0.500000 Mg\n0.757151 0.500000 0.500000 Mg\n0.000000 0.262444 0.500000 Mg\n0.500000 0.242849 0.500000 Mg\n0.000000 0.737556 0.500000 Mg\n0.500000 0.757151 0.500000 Mg\n0.253401 0.253401 0.000000 Mg\n0.746599 0.253401 0.000000 Mg\n0.253401 0.746599 0.000000 Mg\n0.746599 0.746599 0.000000 Mg\n0.500000 0.500000 0.000000 Sn\n0.000000 0.255597 0.000000 O\n0.500000 0.227436 0.000000 O\n0.000000 0.744403 0.000000 O\n0.500000 0.772564 0.000000 O\n0.250854 0.250854 0.500000 O\n0.749146 0.250854 0.500000 O\n0.250854 0.749146 0.500000 O\n0.749146 0.749146 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.255597 0.000000 0.000000 O\n0.744403 0.000000 0.000000 O\n0.227436 0.500000 0.000000 O\n0.772564 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn-Y",
"density": 3.83551363001325,
"density_atomic": 0.09194650236205595,
"volume": 348.0284641387904,
"volume_molar": 6.549613748532525,
"formula_full": "Y1 Mg14 Sn1 O16",
"formula_reduced": "YMg14SnO16",
"formula_anonymous": "ABC14D16",
"energy": -201.71802761,
"energy_per_atom": -6.3036883628125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.72602761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039585,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.261000Z",
"spacegroup": 123
},
{
"id": "mp-1586",
"created_at": "2022-09-04T14:47:46.271132Z",
"structure_string": "Nd1 Sb1\n1.0\n0.000000 3.200032 3.200032\n3.200032 0.000000 3.200032\n3.200032 3.200032 0.000000\nNd Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Nd",
"Sb"
],
"chemical_system": "Nd-Sb",
"density": 6.739707364766981,
"density_atomic": 0.030516662615966486,
"volume": 65.53796609966088,
"volume_molar": 19.7339428488133,
"formula_full": "Nd1 Sb1",
"formula_reduced": "NdSb",
"formula_anonymous": "AB",
"energy": -11.45327507,
"energy_per_atom": -5.726637535,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.26127507,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004081,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:22.713000Z",
"spacegroup": 225
},
{
"id": "mp-30154",
"created_at": "2022-09-04T14:47:44.092380Z",
"structure_string": "Fe4 Mo8 O14\n1.0\n-3.014826 3.126318 8.875804\n3.014826 -3.126318 8.875804\n3.014826 3.126318 -8.875804\nFe Mo O\n4 8 14\ndirect\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.945104 0.695104 0.250000 Fe\n0.054896 0.304896 0.750000 Fe\n0.881318 0.879360 0.001958 Mo\n0.118682 0.120640 0.998042 Mo\n0.622598 0.120640 0.501958 Mo\n0.377402 0.879360 0.498042 Mo\n0.251742 0.765325 0.013584 Mo\n0.748258 0.761842 0.513584 Mo\n0.748258 0.234675 0.986416 Mo\n0.251742 0.238158 0.486416 Mo\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.132006 0.634419 0.002413 O\n0.867994 0.870408 0.502413 O\n0.867994 0.365581 0.997587 O\n0.132006 0.129592 0.497587 O\n0.368557 0.879177 0.010620 O\n0.631443 0.642063 0.510620 O\n0.631443 0.120823 0.989380 O\n0.368557 0.357937 0.489380 O\n0.279782 0.762591 0.517192 O\n0.720218 0.237409 0.482808 O\n0.254601 0.237409 0.017192 O\n0.745399 0.762591 0.982808 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-Mo-O",
"density": 6.028697999742566,
"density_atomic": 0.07769807340257294,
"volume": 334.62863184892075,
"volume_molar": 7.750695089693923,
"formula_full": "Fe4 Mo8 O14",
"formula_reduced": "Fe2Mo4O7",
"formula_anonymous": "A2B4C7",
"energy": -221.26022206,
"energy_per_atom": -8.510008540769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.00222206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 35.999621,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:23.841000Z",
"spacegroup": 74
},
{
"id": "mp-1093856",
"created_at": "2022-09-04T14:47:44.030623Z",
"structure_string": "Mg1 Ti1 Zn2\n1.0\n-5.525518 5.565561 7.894743\n5.525518 -5.565561 7.894743\n5.525518 5.565561 -7.894743\nMg Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254311 0.254311 Zn\n0.000000 0.745689 0.745689 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Zn"
],
"chemical_system": "Mg-Ti-Zn",
"density": 0.3470913637180988,
"density_atomic": 0.004118888712967315,
"volume": 971.1357307146895,
"volume_molar": 146.20790168573288,
"formula_full": "Mg1 Ti1 Zn2",
"formula_reduced": "MgTiZn2",
"formula_anonymous": "ABC2",
"energy": -5.03329618,
"energy_per_atom": -1.258324045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.03329618,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1928649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.366000Z",
"spacegroup": 71
},
{
"id": "mp-863670",
"created_at": "2022-09-04T14:47:46.264300Z",
"structure_string": "Pm2 Cu1 Rh1\n1.0\n0.000000 3.542278 3.542278\n3.542278 0.000000 3.542278\n3.542278 3.542278 0.000000\nPm Cu Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Cu",
"Rh"
],
"chemical_system": "Cu-Pm-Rh",
"density": 8.526402196825215,
"density_atomic": 0.044996845643753315,
"volume": 88.89512015283454,
"volume_molar": 13.383473160937058,
"formula_full": "Pm2 Cu1 Rh1",
"formula_reduced": "Pm2CuRh",
"formula_anonymous": "ABC2",
"energy": -22.73260619,
"energy_per_atom": -5.6831515475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.73260619,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.065000Z",
"spacegroup": 225
},
{
"id": "mp-1094055",
"created_at": "2022-09-04T14:47:44.236709Z",
"structure_string": "Sr3 Ca1 Fe4 O12\n1.0\n-0.010959 0.000210 5.504699\n5.482215 -0.000058 -0.010907\n-0.000082 7.790028 0.000295\nSr Ca Fe O\n3 1 4 12\ndirect\n0.496815 0.484584 0.750020 Sr\n0.500563 0.512121 0.250002 Sr\n0.001402 0.989119 0.749995 Sr\n0.998204 0.027064 0.250049 Ca\n0.499908 0.998787 0.001934 Fe\n0.000021 0.501671 0.001653 Fe\n0.000077 0.501617 0.498331 Fe\n0.499881 0.998815 0.498011 Fe\n0.732146 0.266073 0.020604 O\n0.230301 0.228580 0.982257 O\n0.776513 0.777679 0.469330 O\n0.273140 0.728118 0.517763 O\n0.273131 0.728068 0.982158 O\n0.776575 0.777603 0.030648 O\n0.230435 0.228480 0.517724 O\n0.732181 0.266072 0.479430 O\n0.035992 0.482915 0.250004 O\n0.536984 0.996115 0.750039 O\n0.443007 0.000825 0.250053 O\n0.962723 0.505693 0.749993 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Sr",
"density": 5.07381415566359,
"density_atomic": 0.08507521548066915,
"volume": 235.0860927827378,
"volume_molar": 7.078607707280336,
"formula_full": "Sr3 Ca1 Fe4 O12",
"formula_reduced": "Sr3Ca(FeO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -144.56157955,
"energy_per_atom": -7.2280789775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.29357955,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.999275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.343000Z",
"spacegroup": 6
},
{
"id": "mp-1184901",
"created_at": "2022-09-04T14:47:44.099619Z",
"structure_string": "K3 Mn1\n1.0\n5.735421 0.000000 0.000000\n0.000000 5.735421 0.000000\n0.000000 0.000000 5.735421\nK Mn\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Mn"
],
"chemical_system": "K-Mn",
"density": 1.515896040737927,
"density_atomic": 0.02120137779216457,
"volume": 188.666983778681,
"volume_molar": 28.404478326996344,
"formula_full": "K3 Mn1",
"formula_reduced": "K3Mn",
"formula_anonymous": "AB3",
"energy": -9.85344925,
"energy_per_atom": -2.4633623125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.85344925,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.5749991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.978000Z",
"spacegroup": 221
},
{
"id": "mp-769567",
"created_at": "2022-09-04T14:47:56.357892Z",
"structure_string": "Li10 Ti11 Cr9 O40\n1.0\n4.202520 -4.216064 -0.007491\n-4.212437 -0.017359 -4.212249\n12.663925 16.898060 -12.593714\nLi Ti Cr O\n10 11 9 40\ndirect\n0.849902 0.676464 0.024164 Li\n0.949506 0.723301 0.174957 Li\n0.450494 0.476699 0.425043 Li\n0.249973 0.876361 0.625463 Li\n0.651481 0.077242 0.225480 Li\n0.748519 0.122759 0.374520 Li\n0.550098 0.523536 0.575836 Li\n0.351318 0.923723 0.775530 Li\n0.048682 0.276277 0.824470 Li\n0.150027 0.323639 0.974537 Li\n0.200000 0.600000 0.300000 Ti\n0.492637 0.998386 0.999288 Ti\n0.402505 0.205190 0.101342 Ti\n0.902547 0.202487 0.100604 Ti\n0.700000 0.600000 0.300000 Ti\n0.997495 0.994810 0.498658 Ti\n0.497453 0.997513 0.499396 Ti\n0.601925 0.801805 0.899943 Ti\n0.798075 0.398195 0.700057 Ti\n0.907363 0.201614 0.600712 Ti\n0.700000 0.600000 0.800000 Ti\n0.399765 0.699908 0.099503 Cr\n0.300296 0.400876 0.200391 Cr\n0.099704 0.799124 0.399609 Cr\n0.200000 0.100000 0.300000 Cr\n0.000235 0.500092 0.500497 Cr\n0.300688 0.400815 0.700214 Cr\n0.099312 0.799185 0.899786 Cr\n0.799308 0.899425 0.700042 Cr\n0.600692 0.300575 0.899958 Cr\n0.236840 0.873920 0.051544 O\n0.688897 0.874710 0.051894 O\n0.000574 0.744770 0.257300 O\n0.201747 0.346140 0.057303 O\n0.109614 0.528178 0.146313 O\n0.364295 0.925947 0.346811 O\n0.113236 0.078594 0.146522 O\n0.565351 0.528287 0.146632 O\n0.487144 0.721457 0.253911 O\n0.684612 0.317736 0.052568 O\n0.035705 0.274053 0.253189 O\n0.399426 0.455230 0.342700 O\n0.290386 0.671822 0.453687 O\n0.491429 0.273522 0.253391 O\n0.198253 0.853860 0.542697 O\n0.597981 0.053271 0.142382 O\n0.908571 0.926478 0.346609 O\n0.163160 0.326080 0.548456 O\n0.715388 0.882264 0.547432 O\n0.912856 0.478543 0.346089 O\n0.286764 0.121406 0.453478 O\n0.079359 0.517340 0.651611 O\n0.834649 0.671713 0.453368 O\n0.082044 0.067698 0.650924 O\n0.711103 0.325290 0.548106 O\n0.802019 0.146729 0.457618 O\n0.518252 0.731640 0.748962 O\n0.608376 0.548198 0.657726 O\n0.408624 0.948111 0.857905 O\n0.964801 0.727050 0.748399 O\n0.520847 0.282522 0.748197 O\n0.320641 0.682660 0.948389 O\n0.435199 0.472950 0.851601 O\n0.879153 0.917478 0.851803 O\n0.635384 0.072953 0.651564 O\n0.881748 0.468360 0.851038 O\n0.991376 0.251889 0.742095 O\n0.791624 0.651802 0.942274 O\n0.317956 0.132302 0.949076 O\n0.764616 0.127047 0.948436 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-Ti",
"density": 3.776807171145659,
"density_atomic": 0.09343997977281017,
"volume": 749.1439977855078,
"volume_molar": 6.444929434533509,
"formula_full": "Li10 Ti11 Cr9 O40",
"formula_reduced": "Li10Ti11Cr9O40",
"formula_anonymous": "A9B10C11D40",
"energy": -595.26359309,
"energy_per_atom": -8.503765615571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -549.79259309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.999131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.747000Z",
"spacegroup": 2
},
{
"id": "mp-1073256",
"created_at": "2022-09-04T14:47:56.364409Z",
"structure_string": "Mg4 Si6\n1.0\n3.859040 0.000000 0.000000\n-1.832814 5.909526 0.000000\n-1.923530 -2.335402 8.472072\nMg Si\n4 6\ndirect\n0.867906 0.722321 0.503845 Mg\n0.132094 0.277679 0.496155 Mg\n0.170159 0.983126 0.852737 Mg\n0.829841 0.016874 0.147263 Mg\n0.500126 0.612030 0.904313 Si\n0.499874 0.387970 0.095687 Si\n0.855159 0.484957 0.734991 Si\n0.144841 0.515043 0.265009 Si\n0.598227 0.059224 0.645178 Si\n0.401773 0.940776 0.354822 Si\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2838786364199333,
"density_atomic": 0.051758112963127406,
"volume": 193.20642557281835,
"volume_molar": 11.635162905359756,
"formula_full": "Mg4 Si6",
"formula_reduced": "Mg2Si3",
"formula_anonymous": "A2B3",
"energy": -37.95219393,
"energy_per_atom": -3.795219393,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.37819393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0031424,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.689000Z",
"spacegroup": 2
},
{
"id": "mp-979465",
"created_at": "2022-09-04T14:47:56.365590Z",
"structure_string": "Sm2 Cd6\n1.0\n3.381925 -5.857665 0.000000\n3.381925 5.857665 0.000000\n0.000000 0.000000 5.026562\nSm Cd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n0.160753 0.321505 0.250000 Cd\n0.678495 0.839247 0.250000 Cd\n0.160753 0.839247 0.250000 Cd\n0.839247 0.678495 0.750000 Cd\n0.321505 0.160753 0.750000 Cd\n0.839247 0.160753 0.750000 Cd\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sm",
"Cd"
],
"chemical_system": "Cd-Sm",
"density": 8.131057139846796,
"density_atomic": 0.04016987170913621,
"volume": 199.15423325040106,
"volume_molar": 14.991685319797345,
"formula_full": "Sm2 Cd6",
"formula_reduced": "SmCd3",
"formula_anonymous": "AB3",
"energy": -17.34565487,
"energy_per_atom": -2.16820685875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.34565487,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0032493,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.247000Z",
"spacegroup": 194
}
]
}