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_per_atom&page=10406",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10404",
"results": [
{
"id": "mp-19125",
"created_at": "2022-09-04T14:40:06.385196Z",
"structure_string": "Na8 W2 N4 O4\n1.0\n5.919523 0.000000 0.000000\n2.061709 5.585335 0.000000\n2.885447 0.053257 8.593896\nNa W N O\n8 2 4 4\ndirect\n0.241070 0.763735 0.984647 Na\n0.758930 0.236265 0.015353 Na\n0.055257 0.758169 0.406268 Na\n0.944743 0.241831 0.593732 Na\n0.479329 0.743439 0.551207 Na\n0.520671 0.256561 0.448793 Na\n0.613796 0.721849 0.187636 Na\n0.386204 0.278151 0.812364 Na\n0.841522 0.718478 0.764942 W\n0.158478 0.281522 0.235058 W\n0.298420 0.037874 0.358562 N\n0.159554 0.542444 0.646023 N\n0.840446 0.457556 0.353977 N\n0.701580 0.962126 0.641438 N\n0.641889 0.512149 0.818518 O\n0.149321 0.158561 0.052581 O\n0.358111 0.487851 0.181482 O\n0.850679 0.841439 0.947419 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Na",
"W",
"N",
"O"
],
"chemical_system": "N-Na-O-W",
"density": 3.9250784099741853,
"density_atomic": 0.06334997859753559,
"volume": 284.1358497428163,
"volume_molar": 9.506144900630277,
"formula_full": "Na8 W2 N4 O4",
"formula_reduced": "Na4W(NO)2",
"formula_anonymous": "AB2C2D4",
"energy": -109.82654061,
"energy_per_atom": -6.1014744783333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.75854061,
"band_gap": 1.9524,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006275,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.061000Z",
"spacegroup": 2
},
{
"id": "mp-1223683",
"created_at": "2022-09-04T14:40:06.389155Z",
"structure_string": "K2 In2 As6 H14 O26\n1.0\n4.907188 0.000000 -0.393401\n0.000000 8.842782 0.000000\n0.019830 0.000000 14.308133\nK In As H O\n2 2 6 14 26\ndirect\n0.150651 0.005884 0.510528 K\n0.650651 0.994116 0.010528 K\n0.249600 0.228979 0.753440 In\n0.749600 0.771021 0.253440 In\n0.699560 0.346070 0.597968 As\n0.296323 0.642456 0.403739 As\n0.796323 0.357544 0.903739 As\n0.199560 0.653930 0.097968 As\n0.748290 0.957629 0.747293 As\n0.248290 0.042371 0.247293 As\n0.393097 0.338384 0.471660 H\n0.604084 0.676269 0.529174 H\n0.104084 0.323731 0.029174 H\n0.893097 0.661616 0.971660 H\n0.474950 0.770463 0.804833 H\n0.514452 0.231878 0.192452 H\n0.014452 0.768122 0.692452 H\n0.974950 0.229537 0.304833 H\n0.348133 0.586648 0.711068 H\n0.646759 0.415658 0.289111 H\n0.146759 0.584342 0.789111 H\n0.848133 0.413352 0.211068 H\n0.974960 0.498202 0.509462 H\n0.474960 0.501798 0.009462 H\n0.821191 0.518089 0.557222 O\n0.184702 0.475209 0.446455 O\n0.684702 0.524791 0.946455 O\n0.321191 0.481911 0.057222 O\n0.488010 0.053134 0.687725 O\n0.503277 0.949062 0.309790 O\n0.003277 0.050938 0.809790 O\n0.988010 0.946866 0.187725 O\n0.485418 0.399736 0.680603 O\n0.516557 0.598793 0.320134 O\n0.016557 0.401207 0.820134 O\n0.985418 0.600264 0.180603 O\n0.624129 0.839464 0.833386 O\n0.374820 0.159940 0.160914 O\n0.874820 0.840060 0.660914 O\n0.124129 0.160536 0.333386 O\n0.962865 0.226384 0.627872 O\n0.038038 0.768411 0.374711 O\n0.538038 0.231589 0.874711 O\n0.462865 0.773616 0.127872 O\n0.524055 0.257876 0.501105 O\n0.466642 0.745531 0.497550 O\n0.966642 0.254469 0.997550 O\n0.024055 0.742124 0.001105 O\n0.245037 0.655994 0.749905 O\n0.745037 0.344006 0.249905 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"K",
"In",
"As",
"H",
"O"
],
"chemical_system": "As-H-In-K-O",
"density": 3.1755169352632393,
"density_atomic": 0.08052248518097889,
"volume": 620.944570794383,
"volume_molar": 7.478831218963119,
"formula_full": "K2 In2 As6 H14 O26",
"formula_reduced": "KInAs3H7O13",
"formula_anonymous": "ABC3D7E13",
"energy": -292.45458428,
"energy_per_atom": -5.8490916856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -274.59258428,
"band_gap": 3.1941,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014626,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.411000Z",
"spacegroup": 7
},
{
"id": "mp-1078205",
"created_at": "2022-09-04T14:40:06.393677Z",
"structure_string": "K1 Rb2 In1 F6\n1.0\n0.000000 4.648397 4.648397\n4.648397 0.000000 4.648397\n4.648397 4.648397 0.000000\nK Rb In F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 In\n0.773409 0.226591 0.226591 F\n0.226591 0.226591 0.773409 F\n0.226591 0.773409 0.773409 F\n0.226591 0.773409 0.226591 F\n0.773409 0.226591 0.773409 F\n0.773409 0.773409 0.226591 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"In",
"F"
],
"chemical_system": "F-In-K-Rb",
"density": 3.627588084241456,
"density_atomic": 0.0497806276066874,
"volume": 200.88135647885295,
"volume_molar": 12.097358047753904,
"formula_full": "K1 Rb2 In1 F6",
"formula_reduced": "KRb2InF6",
"formula_anonymous": "ABC2D6",
"energy": -47.19376665,
"energy_per_atom": -4.719376665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.42176665,
"band_gap": 5.3194,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007049,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:47.746000Z",
"spacegroup": 225
},
{
"id": "mp-677140",
"created_at": "2022-09-04T14:40:06.395389Z",
"structure_string": "Y1 Al6 Si30 N45 O3\n1.0\n7.886752 0.000000 0.000000\n-3.925062 6.853241 0.000000\n-0.042968 -0.066365 17.125747\nY Al Si N O\n1 6 30 45 3\ndirect\n0.673820 0.325897 0.087258 Y\n0.492039 0.897721 0.097594 Al\n0.083846 0.254589 0.996960 Al\n0.575226 0.088560 0.266792 Al\n0.914455 0.168897 0.828257 Al\n0.911168 0.163895 0.497181 Al\n0.916857 0.172791 0.167182 Al\n0.156201 0.910191 0.996293 Si\n0.155220 0.909929 0.662398 Si\n0.157812 0.913206 0.331287 Si\n0.489700 0.909571 0.761388 Si\n0.491939 0.908565 0.432592 Si\n0.077636 0.563735 0.760700 Si\n0.080118 0.564518 0.430261 Si\n0.087060 0.569457 0.096353 Si\n0.745837 0.831149 0.996361 Si\n0.744730 0.833354 0.664769 Si\n0.746096 0.835702 0.336188 Si\n0.834122 0.745503 0.830523 Si\n0.835982 0.742131 0.499221 Si\n0.834028 0.754575 0.168168 Si\n0.427143 0.511435 0.760700 Si\n0.429259 0.511346 0.429488 Si\n0.425385 0.511251 0.095898 Si\n0.089019 0.261222 0.332778 Si\n0.089160 0.259878 0.663153 Si\n0.514152 0.431198 0.927465 Si\n0.516821 0.430612 0.595940 Si\n0.521714 0.439599 0.266096 Si\n0.929981 0.488925 0.925368 Si\n0.920536 0.484808 0.596313 Si\n0.922139 0.490408 0.266746 Si\n0.248813 0.086034 0.835191 Si\n0.247249 0.082304 0.171653 Si\n0.250077 0.087284 0.502975 Si\n0.569409 0.075168 0.924641 Si\n0.570587 0.084739 0.596108 Si\n0.604721 0.952244 0.670982 N\n0.610230 0.950135 0.345106 N\n0.610174 0.952880 0.999685 N\n0.043390 0.660410 0.672300 N\n0.048228 0.664217 0.341446 N\n0.047024 0.658127 0.006229 N\n0.992489 0.987752 0.998348 N\n0.004529 0.989673 0.829393 N\n0.997978 0.002643 0.665004 N\n0.004740 0.987429 0.497621 N\n0.004802 0.995857 0.163665 N\n0.329216 0.665911 0.778466 N\n0.330465 0.664333 0.448592 N\n0.322437 0.648692 0.120338 N\n0.676935 0.689514 0.750326 N\n0.680364 0.681616 0.418519 N\n0.678615 0.681744 0.084480 N\n0.685411 0.677453 0.915221 N\n0.687579 0.680369 0.583764 N\n0.684171 0.692012 0.250447 N\n0.009587 0.325925 0.743743 N\n0.009130 0.325511 0.413703 N\n0.977377 0.326266 0.079324 N\n0.348570 0.387156 0.670994 N\n0.363024 0.385190 0.008240 N\n0.348242 0.389762 0.338709 N\n0.394492 0.341320 0.836348 N\n0.392752 0.341549 0.504419 N\n0.407061 0.341045 0.169525 N\n0.951035 0.606795 0.836169 N\n0.954047 0.604516 0.505890 N\n0.941287 0.601338 0.169756 N\n0.670816 0.332089 0.948547 N\n0.669167 0.334103 0.614755 N\n0.676210 0.352949 0.284631 N\n0.319032 0.006864 0.918514 N\n0.319009 0.009315 0.586610 N\n0.308460 0.002910 0.253094 N\n0.009878 0.331627 0.911764 N\n0.010325 0.332135 0.253207 N\n0.003482 0.322799 0.584239 N\n0.640670 0.045364 0.834400 N\n0.639847 0.040302 0.507192 N\n0.651208 0.074565 0.166680 N\n0.999118 0.004707 0.333898 N\n0.310565 0.991323 0.749930 O\n0.313116 0.992841 0.418729 O\n0.310322 0.999910 0.082750 O\n",
"nsites": 85,
"nelements": 5,
"elements": [
"Y",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-N-O-Si-Y",
"density": 3.1782328411133762,
"density_atomic": 0.09182801845613504,
"volume": 925.6434085050339,
"volume_molar": 6.558064587745289,
"formula_full": "Y1 Al6 Si30 N45 O3",
"formula_reduced": "YAl6Si30(N15O)3",
"formula_anonymous": "AB3C6D30E45",
"energy": -700.0814087,
"energy_per_atom": -8.236251867058824,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -681.7754087,
"band_gap": 3.0805,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.540000Z",
"spacegroup": 1
},
{
"id": "mp-1220643",
"created_at": "2022-09-04T14:40:06.396065Z",
"structure_string": "Nd4 Er4 Fe56 B4\n1.0\n8.759202 0.000000 0.000000\n0.000000 8.759202 0.000000\n0.000000 0.000000 12.001845\nNd Er Fe B\n4 4 56 4\ndirect\n0.233630 0.766370 0.500000 Nd\n0.766370 0.233630 0.500000 Nd\n0.266370 0.266370 0.000000 Nd\n0.733630 0.733630 0.000000 Nd\n0.644930 0.644930 0.500000 Er\n0.355070 0.355070 0.500000 Er\n0.855070 0.144930 0.000000 Er\n0.144930 0.855070 0.000000 Er\n0.932012 0.724993 0.372319 Fe\n0.067988 0.275007 0.372319 Fe\n0.567988 0.224993 0.872319 Fe\n0.432012 0.775007 0.872319 Fe\n0.067988 0.275007 0.627681 Fe\n0.932012 0.724993 0.627681 Fe\n0.432012 0.775007 0.127681 Fe\n0.567988 0.224993 0.127681 Fe\n0.724993 0.932012 0.372319 Fe\n0.275007 0.067988 0.372319 Fe\n0.224993 0.567988 0.872319 Fe\n0.775007 0.432012 0.872319 Fe\n0.275007 0.067988 0.627681 Fe\n0.724993 0.932012 0.627681 Fe\n0.775007 0.432012 0.127681 Fe\n0.224993 0.567988 0.127681 Fe\n0.140742 0.535543 0.324788 Fe\n0.859258 0.464457 0.324788 Fe\n0.359258 0.035543 0.824788 Fe\n0.640742 0.964457 0.824788 Fe\n0.859258 0.464457 0.675212 Fe\n0.140742 0.535543 0.675212 Fe\n0.640742 0.964457 0.175212 Fe\n0.359258 0.035543 0.175212 Fe\n0.535543 0.140742 0.324788 Fe\n0.464457 0.859258 0.324788 Fe\n0.035543 0.359258 0.824788 Fe\n0.964457 0.640742 0.824788 Fe\n0.464457 0.859258 0.675212 Fe\n0.535543 0.140742 0.675212 Fe\n0.964457 0.640742 0.175212 Fe\n0.035543 0.359258 0.175212 Fe\n0.182302 0.817698 0.252835 Fe\n0.817698 0.182302 0.252835 Fe\n0.317698 0.317698 0.752835 Fe\n0.682302 0.682302 0.752835 Fe\n0.817698 0.182302 0.747165 Fe\n0.182302 0.817698 0.747165 Fe\n0.682302 0.682302 0.247165 Fe\n0.317698 0.317698 0.247165 Fe\n0.403193 0.596807 0.300703 Fe\n0.596807 0.403193 0.300703 Fe\n0.096807 0.096807 0.800703 Fe\n0.903193 0.903193 0.800703 Fe\n0.596807 0.403193 0.699297 Fe\n0.403193 0.596807 0.699297 Fe\n0.903193 0.903193 0.199297 Fe\n0.096807 0.096807 0.199297 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.117286 Fe\n0.000000 0.000000 0.617286 Fe\n0.500000 0.500000 0.882714 Fe\n0.000000 0.000000 0.382714 Fe\n0.876239 0.876239 0.500000 B\n0.123761 0.123761 0.500000 B\n0.623761 0.376239 0.000000 B\n0.376239 0.623761 0.000000 B\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Nd",
"Er",
"Fe",
"B"
],
"chemical_system": "B-Er-Fe-Nd",
"density": 7.964470745671711,
"density_atomic": 0.07384682284891875,
"volume": 920.8249911999517,
"volume_molar": 8.154908400488045,
"formula_full": "Nd4 Er4 Fe56 B4",
"formula_reduced": "NdErFe14B",
"formula_anonymous": "ABCD14",
"energy": -543.82547349,
"energy_per_atom": -7.997433433676471,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -543.82547349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 124.8891658,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.110000Z",
"spacegroup": 136
},
{
"id": "mp-864786",
"created_at": "2022-09-04T14:40:06.397140Z",
"structure_string": "Yb2 Pd1 Pt1\n1.0\n0.000000 3.437221 3.437221\n3.437221 0.000000 3.437221\n3.437221 3.437221 0.000000\nYb Pd Pt\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Pd",
"Pt"
],
"chemical_system": "Pd-Pt-Yb",
"density": 13.24014807965126,
"density_atomic": 0.049250157784292356,
"volume": 81.21801391011469,
"volume_molar": 12.227657800358717,
"formula_full": "Yb2 Pd1 Pt1",
"formula_reduced": "Yb2PdPt",
"formula_anonymous": "ABC2",
"energy": -18.35678134,
"energy_per_atom": -4.589195335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.35678134,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001065,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.284000Z",
"spacegroup": 225
},
{
"id": "mp-1175507",
"created_at": "2022-09-04T14:40:06.407533Z",
"structure_string": "Li9 Co7 O16\n1.0\n5.796535 0.000000 0.000000\n-2.859134 5.138035 0.000000\n-0.195797 -1.673670 9.564336\nLi Co O\n9 7 16\ndirect\n0.500000 0.500000 0.000000 Li\n0.376398 0.751928 0.249026 Li\n0.248938 0.999692 0.499735 Li\n0.123349 0.246118 0.750663 Li\n0.000000 0.500000 0.000000 Li\n0.876651 0.753882 0.249337 Li\n0.751062 0.000308 0.500265 Li\n0.623602 0.248072 0.750974 Li\n0.000000 0.000000 0.000000 Li\n0.631764 0.757062 0.756885 Co\n0.500000 0.000000 0.000000 Co\n0.368236 0.242938 0.243115 Co\n0.752980 0.505483 0.499946 Co\n0.124084 0.757012 0.755927 Co\n0.875916 0.242988 0.244073 Co\n0.247020 0.494517 0.500054 Co\n0.813905 0.631153 0.860682 O\n0.679910 0.897892 0.120011 O\n0.571720 0.143639 0.365795 O\n0.437431 0.391472 0.620567 O\n0.325460 0.653168 0.882753 O\n0.221587 0.898767 0.117675 O\n0.067984 0.133338 0.371328 O\n0.936668 0.390205 0.620337 O\n0.186095 0.368847 0.139318 O\n0.063332 0.609795 0.379663 O\n0.932016 0.866662 0.628672 O\n0.778413 0.101233 0.882325 O\n0.674540 0.346832 0.117247 O\n0.562569 0.608528 0.379433 O\n0.428280 0.856361 0.634205 O\n0.320090 0.102108 0.879989 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.261291427141366,
"density_atomic": 0.11233876180258141,
"volume": 284.8527034349481,
"volume_molar": 5.360697112349354,
"formula_full": "Li9 Co7 O16",
"formula_reduced": "Li9Co7O16",
"formula_anonymous": "A7B9C16",
"energy": -200.32990881,
"energy_per_atom": -6.2603096503125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.87190881,
"band_gap": 0.0922999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.27e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.400000Z",
"spacegroup": 2
},
{
"id": "mp-1539038",
"created_at": "2022-09-04T14:40:06.408676Z",
"structure_string": "Al2 Tl4 F10\n1.0\n6.333213 0.631564 0.000000\n-0.628191 6.333548 0.000000\n0.000000 0.000000 7.581368\nAl Tl F\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.498382 0.997738 0.750000 Tl\n0.501618 0.002262 0.250000 Tl\n0.997738 0.498382 0.750000 Tl\n0.002262 0.501618 0.250000 Tl\n0.798262 0.798262 0.495745 F\n0.201856 0.798144 0.000000 F\n0.996153 0.996153 0.750000 F\n0.798144 0.201856 0.000000 F\n0.798144 0.201856 0.500000 F\n0.201856 0.798144 0.500000 F\n0.201738 0.201738 0.504255 F\n0.798262 0.798262 0.004255 F\n0.201738 0.201738 0.995745 F\n0.003847 0.003847 0.250000 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"Tl",
"F"
],
"chemical_system": "Al-F-Tl",
"density": 5.73941755308811,
"density_atomic": 0.052098685350996515,
"volume": 307.10947679784323,
"volume_molar": 11.559103112541038,
"formula_full": "Al2 Tl4 F10",
"formula_reduced": "AlTl2F5",
"formula_anonymous": "AB2C5",
"energy": -83.66686403,
"energy_per_atom": -5.229179001875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.04686403,
"band_gap": 4.0476,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.102000Z",
"spacegroup": 123
},
{
"id": "mp-1222859",
"created_at": "2022-09-04T14:40:06.409421Z",
"structure_string": "Li2 La3 Nd1 Sb2 O12\n1.0\n5.651008 0.000000 0.000000\n-0.016476 5.785009 0.000000\n-0.053800 -0.001015 8.071922\nLi La Nd Sb O\n2 3 1 2 12\ndirect\n0.501010 0.999957 0.498559 Li\n0.999206 0.498997 0.001274 Li\n0.513938 0.545853 0.748616 La\n0.987302 0.043840 0.750695 La\n0.487247 0.454070 0.251219 La\n0.016585 0.946786 0.247924 Nd\n0.998846 0.499552 0.498262 Sb\n0.501333 0.000315 0.001615 Sb\n0.902867 0.537163 0.260074 O\n0.403860 0.968530 0.762352 O\n0.096991 0.467842 0.737836 O\n0.605953 0.032507 0.239247 O\n0.714128 0.303888 0.548321 O\n0.216287 0.194941 0.052873 O\n0.280377 0.699933 0.448941 O\n0.783340 0.803234 0.952447 O\n0.805937 0.781979 0.552846 O\n0.302716 0.720616 0.056797 O\n0.189658 0.215524 0.443583 O\n0.692418 0.284474 0.946517 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"La",
"Nd",
"Sb",
"O"
],
"chemical_system": "La-Li-Nd-O-Sb",
"density": 6.35792507116496,
"density_atomic": 0.07579194949718629,
"volume": 263.8802687182823,
"volume_molar": 7.945620610040604,
"formula_full": "Li2 La3 Nd1 Sb2 O12",
"formula_reduced": "Li2La3Nd(SbO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy": -151.92629729,
"energy_per_atom": -7.5963148645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.68229729,
"band_gap": 3.9249,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001268,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.535000Z",
"spacegroup": 1
},
{
"id": "mp-1032771",
"created_at": "2022-09-04T14:40:06.417020Z",
"structure_string": "Y1 Mg6 Cu1 O8\n1.0\n9.070317 0.000000 0.000000\n0.000000 4.377934 0.000000\n0.000000 0.000000 4.377934\nY Mg Cu O\n1 6 1 8\ndirect\n0.000000 0.000000 -0.000000 Y\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.274175 0.000000 0.500000 Mg\n0.725825 -0.000000 0.500000 Mg\n0.274175 0.500000 -0.000000 Mg\n0.725825 0.500000 0.000000 Mg\n0.500000 0.000000 -0.000000 Cu\n0.244782 0.000000 -0.000000 O\n0.755218 -0.000000 0.000000 O\n0.250824 0.500000 0.500000 O\n0.749176 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Y",
"Mg",
"Cu",
"O"
],
"chemical_system": "Cu-Mg-O-Y",
"density": 4.071741172327646,
"density_atomic": 0.09203628855559848,
"volume": 173.84447212182522,
"volume_molar": 6.543224259159546,
"formula_full": "Y1 Mg6 Cu1 O8",
"formula_reduced": "YMg6CuO8",
"formula_anonymous": "ABC6D8",
"energy": -104.06195312,
"energy_per_atom": -6.50387207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.56595312,
"band_gap": 3.2338,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.1095029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.016000Z",
"spacegroup": 123
},
{
"id": "mp-1356094",
"created_at": "2022-09-04T14:40:06.416958Z",
"structure_string": "Ca8 Co4 N8\n1.0\n-4.174355 4.174355 5.978124\n4.174355 -4.174355 5.978124\n4.174355 4.174355 -5.978124\nCa Co N\n8 4 8\ndirect\n0.202459 0.996989 0.500000 Ca\n0.797541 0.003011 0.500000 Ca\n0.702459 0.202459 0.205470 Ca\n0.003011 0.503011 0.205470 Ca\n0.503011 0.297541 0.500000 Ca\n0.496989 0.702459 0.500000 Ca\n0.297541 0.797541 0.794530 Ca\n0.996989 0.496989 0.794530 Ca\n0.853233 0.646767 0.500000 Co\n0.146767 0.353233 0.500000 Co\n0.646767 0.146767 0.793534 Co\n0.353233 0.853233 0.206466 Co\n0.208894 0.708894 0.207454 N\n0.998560 0.791106 0.500000 N\n0.791106 0.291106 0.792546 N\n0.498560 0.998560 0.207454 N\n0.501440 0.001440 0.792546 N\n0.291106 0.498560 0.500000 N\n0.001440 0.208894 0.500000 N\n0.708894 0.501440 0.500000 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Co",
"N"
],
"chemical_system": "Ca-Co-N",
"density": 2.663720251862109,
"density_atomic": 0.04799835187335002,
"volume": 416.6809738128642,
"volume_molar": 12.54655738157471,
"formula_full": "Ca8 Co4 N8",
"formula_reduced": "Ca2CoN2",
"formula_anonymous": "AB2C2",
"energy": -123.53377802,
"energy_per_atom": -6.176688901,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.64577802,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999158,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.827000Z",
"spacegroup": 140
},
{
"id": "mp-1216436",
"created_at": "2022-09-04T14:40:06.424086Z",
"structure_string": "V6 Ga1 Ge1\n1.0\n4.777937 0.000000 0.000000\n0.000000 4.777937 0.000000\n0.000000 0.000000 4.777937\nV Ga Ge\n6 1 1\ndirect\n0.000000 0.500000 0.750517 V\n0.500000 0.249483 0.000000 V\n0.750517 0.000000 0.500000 V\n0.000000 0.500000 0.249483 V\n0.500000 0.750517 0.000000 V\n0.249483 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ga",
"Ge"
],
"chemical_system": "Ga-Ge-V",
"density": 6.8205200061722095,
"density_atomic": 0.07334469888799311,
"volume": 109.07400427421538,
"volume_molar": 8.210737587452085,
"formula_full": "V6 Ga1 Ge1",
"formula_reduced": "V6GaGe",
"formula_anonymous": "ABC6",
"energy": -64.17986204,
"energy_per_atom": -8.022482755,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.17986204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0041939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.574000Z",
"spacegroup": 200
}
]
}