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_full&page=1758",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=1756",
"results": [
{
"id": "mp-616173",
"created_at": "2022-09-04T14:47:01.534763Z",
"structure_string": "Ce20 Ni4 Ge8\n1.0\n11.444419 0.000000 0.000000\n0.000000 11.444419 0.000000\n0.000000 0.000000 6.115731\nCe Ni Ge\n20 4 8\ndirect\n0.579568 0.211644 0.170358 Ce\n0.288356 0.079568 0.170358 Ce\n0.579568 0.788356 0.670358 Ce\n0.420432 0.788356 0.170358 Ce\n0.920432 0.288356 0.829642 Ce\n0.211644 0.420432 0.829642 Ce\n0.079568 0.711644 0.829642 Ce\n0.211644 0.579568 0.329642 Ce\n0.000000 0.000000 0.500000 Ce\n0.711644 0.079568 0.670358 Ce\n0.500000 0.500000 0.500000 Ce\n0.711644 0.920432 0.170358 Ce\n0.288356 0.920432 0.670358 Ce\n0.079568 0.288356 0.329642 Ce\n0.788356 0.420432 0.329642 Ce\n0.788356 0.579568 0.829642 Ce\n0.420432 0.211644 0.670358 Ce\n0.500000 0.500000 0.000000 Ce\n0.920432 0.711644 0.329642 Ce\n0.000000 0.000000 0.000000 Ce\n0.500000 0.000000 0.929547 Ni\n0.000000 0.500000 0.570453 Ni\n0.500000 0.000000 0.429547 Ni\n0.000000 0.500000 0.070453 Ni\n0.163112 0.836888 0.250000 Ge\n0.163112 0.163112 0.750000 Ge\n0.336888 0.663112 0.750000 Ge\n0.336888 0.336888 0.250000 Ge\n0.663112 0.336888 0.750000 Ge\n0.836888 0.836888 0.750000 Ge\n0.836888 0.163112 0.250000 Ge\n0.663112 0.663112 0.250000 Ge\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Ge"
],
"chemical_system": "Ce-Ge-Ni",
"density": 7.500797225593467,
"density_atomic": 0.039949753520666806,
"volume": 801.0061935287225,
"volume_molar": 15.074287647068024,
"formula_full": "Ce20 Ni4 Ge8",
"formula_reduced": "Ce5NiGe2",
"formula_anonymous": "AB2C5",
"energy": -192.49972721,
"energy_per_atom": -6.0156164753125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -192.49972721,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8144668,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.912000Z",
"spacegroup": 130
},
{
"id": "mp-680602",
"created_at": "2022-09-04T14:46:05.106073Z",
"structure_string": "Ce20 Rh16\n1.0\n7.356157 0.000000 0.000000\n0.000000 7.515946 0.000000\n0.000000 0.000000 15.075821\nCe Rh\n20 16\ndirect\n0.011540 0.678520 0.090884 Ce\n0.834570 0.834574 0.621708 Ce\n0.988460 0.321480 0.590884 Ce\n0.178055 0.026474 0.750000 Ce\n0.511540 0.821480 0.409116 Ce\n0.488460 0.178520 0.590884 Ce\n0.165430 0.165426 0.378292 Ce\n0.334570 0.665426 0.878292 Ce\n0.678055 0.473526 0.750000 Ce\n0.334570 0.665426 0.621708 Ce\n0.011540 0.678520 0.409116 Ce\n0.488460 0.178520 0.909116 Ce\n0.821945 0.973526 0.250000 Ce\n0.511540 0.821480 0.090884 Ce\n0.988460 0.321480 0.909116 Ce\n0.834570 0.834574 0.878292 Ce\n0.665430 0.334574 0.121708 Ce\n0.165430 0.165426 0.121708 Ce\n0.665430 0.334574 0.378292 Ce\n0.321945 0.526474 0.250000 Ce\n0.027902 0.621964 0.750000 Rh\n0.812911 0.033831 0.460583 Rh\n0.472098 0.121964 0.250000 Rh\n0.187089 0.966169 0.960583 Rh\n0.693023 0.640870 0.250000 Rh\n0.306977 0.359130 0.750000 Rh\n0.972098 0.378036 0.250000 Rh\n0.687089 0.533831 0.539417 Rh\n0.312911 0.466169 0.039417 Rh\n0.312911 0.466169 0.460583 Rh\n0.527902 0.878036 0.750000 Rh\n0.687089 0.533831 0.960583 Rh\n0.812911 0.033831 0.039417 Rh\n0.806977 0.140870 0.750000 Rh\n0.187089 0.966169 0.539417 Rh\n0.193023 0.859130 0.250000 Rh\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ce",
"Rh"
],
"chemical_system": "Ce-Rh",
"density": 8.862926493013674,
"density_atomic": 0.04319036633131006,
"volume": 833.519209442372,
"volume_molar": 13.943250015071905,
"formula_full": "Ce20 Rh16",
"formula_reduced": "Ce5Rh4",
"formula_anonymous": "A4B5",
"energy": -260.3291563,
"energy_per_atom": -7.231365452777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -260.3291563,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3262419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:17.968000Z",
"spacegroup": 62
},
{
"id": "mp-645688",
"created_at": "2022-09-04T14:44:25.770154Z",
"structure_string": "Ce20 S38\n1.0\n8.930118 0.000000 0.000000\n0.000000 8.930118 0.000000\n0.000000 0.000000 15.990809\nCe S\n20 38\ndirect\n0.500000 0.000000 0.136845 Ce\n0.598654 0.709172 0.372040 Ce\n0.401346 0.290828 0.372040 Ce\n0.194584 0.896413 0.351842 Ce\n0.209172 0.901346 0.872040 Ce\n0.000000 0.500000 0.863155 Ce\n0.790828 0.098654 0.872040 Ce\n0.000000 0.500000 0.363155 Ce\n0.901346 0.790828 0.127960 Ce\n0.896413 0.805416 0.648158 Ce\n0.305416 0.603587 0.148158 Ce\n0.290828 0.598654 0.627960 Ce\n0.694584 0.396413 0.148158 Ce\n0.500000 0.000000 0.636845 Ce\n0.805416 0.103587 0.351842 Ce\n0.603587 0.694584 0.851842 Ce\n0.709172 0.401346 0.627960 Ce\n0.098654 0.209172 0.127960 Ce\n0.103587 0.194584 0.648158 Ce\n0.396413 0.305416 0.851842 Ce\n0.798682 0.098449 0.174495 S\n0.303606 0.602038 0.812782 S\n0.102038 0.196394 0.312782 S\n0.944241 0.278418 0.499183 S\n0.221582 0.444241 0.999183 S\n0.055759 0.721582 0.499183 S\n0.555759 0.221582 0.000817 S\n0.500000 0.000000 0.817344 S\n0.201318 0.901551 0.174495 S\n0.897962 0.803606 0.312782 S\n0.397962 0.303606 0.187218 S\n0.363635 0.827414 0.500069 S\n0.827414 0.636365 0.499931 S\n0.172586 0.363635 0.499931 S\n0.778418 0.555759 0.999183 S\n0.327414 0.136365 0.000069 S\n0.701318 0.401551 0.325505 S\n0.636365 0.172586 0.500069 S\n0.444241 0.778418 0.000817 S\n0.000000 0.500000 0.182656 S\n0.098449 0.201318 0.825505 S\n0.136365 0.672586 0.999931 S\n0.500000 0.500000 0.500000 S\n0.298682 0.598449 0.325505 S\n0.278418 0.055759 0.500817 S\n0.672586 0.863635 0.000069 S\n0.401551 0.298682 0.674495 S\n0.196394 0.897962 0.687218 S\n0.696394 0.397962 0.812782 S\n0.803606 0.102038 0.687218 S\n0.598449 0.701318 0.674495 S\n0.000000 0.000000 0.000000 S\n0.721582 0.944241 0.500817 S\n0.602038 0.696394 0.187218 S\n0.863635 0.327414 0.999931 S\n0.901551 0.798682 0.825505 S\n0.000000 0.500000 0.682656 S\n0.500000 0.000000 0.317344 S\n",
"nsites": 58,
"nelements": 2,
"elements": [
"Ce",
"S"
],
"chemical_system": "Ce-S",
"density": 5.2357108927021905,
"density_atomic": 0.04548237791961312,
"volume": 1275.2191651569074,
"volume_molar": 13.240602262801005,
"formula_full": "Ce20 S38",
"formula_reduced": "Ce10S19",
"formula_anonymous": "A10B19",
"energy": -397.15427517,
"energy_per_atom": -6.847487502931035,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -378.04027517,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.8387803,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.202000Z",
"spacegroup": 86
},
{
"id": "mp-652044",
"created_at": "2022-09-04T14:42:28.566642Z",
"structure_string": "Ce20 Se38\n1.0\n9.394273 0.000000 0.000000\n0.000000 9.394273 0.000000\n0.000000 0.000000 16.667876\nCe Se\n20 38\ndirect\n0.000000 0.500000 0.131078 Ce\n0.198437 0.897083 0.142338 Ce\n0.000000 0.500000 0.631078 Ce\n0.500000 0.000000 0.868922 Ce\n0.102917 0.198437 0.857662 Ce\n0.207090 0.900952 0.630054 Ce\n0.599048 0.707090 0.130054 Ce\n0.801563 0.102917 0.142338 Ce\n0.099048 0.207090 0.369946 Ce\n0.301563 0.602917 0.357662 Ce\n0.900952 0.792910 0.369946 Ce\n0.792910 0.099048 0.630054 Ce\n0.698437 0.397083 0.357662 Ce\n0.602917 0.698437 0.642338 Ce\n0.400952 0.292910 0.130054 Ce\n0.707090 0.400952 0.869946 Ce\n0.500000 0.000000 0.368922 Ce\n0.292910 0.599048 0.869946 Ce\n0.897083 0.801563 0.857662 Ce\n0.397083 0.301563 0.642338 Ce\n0.691411 0.880781 0.500096 Se\n0.500000 0.000000 0.684161 Se\n0.775657 0.578622 0.499789 Se\n0.224343 0.421378 0.499789 Se\n0.808589 0.619219 0.999904 Se\n0.119219 0.691411 0.499904 Se\n0.578622 0.224343 0.500211 Se\n0.000000 0.500000 0.315839 Se\n0.399938 0.303524 0.315146 Se\n0.000000 0.500000 0.815839 Se\n0.421378 0.775657 0.500211 Se\n0.619219 0.191411 0.000096 Se\n0.803524 0.100062 0.815146 Se\n0.724343 0.921378 0.000211 Se\n0.902100 0.798792 0.677371 Se\n0.701208 0.402100 0.177371 Se\n0.078622 0.724343 0.999789 Se\n0.298792 0.597900 0.177371 Se\n0.097900 0.201208 0.677371 Se\n0.880781 0.308589 0.499904 Se\n0.275657 0.078622 0.000211 Se\n0.798792 0.097900 0.322629 Se\n0.100062 0.196476 0.184854 Se\n0.597900 0.701208 0.822629 Se\n0.191411 0.380781 0.999904 Se\n0.000000 0.000000 0.500000 Se\n0.308589 0.119219 0.500096 Se\n0.201208 0.902100 0.322629 Se\n0.921378 0.275657 0.999789 Se\n0.696476 0.399938 0.684854 Se\n0.380781 0.808589 0.000096 Se\n0.402100 0.298792 0.822629 Se\n0.196476 0.899938 0.815146 Se\n0.303524 0.600062 0.684854 Se\n0.600062 0.696476 0.315146 Se\n0.899938 0.803524 0.184854 Se\n0.500000 0.000000 0.184161 Se\n0.500000 0.500000 0.000000 Se\n",
"nsites": 58,
"nelements": 2,
"elements": [
"Ce",
"Se"
],
"chemical_system": "Ce-Se",
"density": 6.550584986231151,
"density_atomic": 0.03942950992523325,
"volume": 1470.9794798357968,
"volume_molar": 15.273181866625434,
"formula_full": "Ce20 Se38",
"formula_reduced": "Ce10Se19",
"formula_anonymous": "A10B19",
"energy": -365.59675395,
"energy_per_atom": -6.303392309482758,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -347.66075395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.5620837,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.703000Z",
"spacegroup": 86
},
{
"id": "mp-571312",
"created_at": "2022-09-04T14:40:43.701849Z",
"structure_string": "Ce20 Si12 N36\n1.0\n5.282451 -5.627154 0.000000\n5.282451 5.627154 0.000000\n0.000000 0.000000 15.748586\nCe Si N\n20 12 36\ndirect\n0.014781 0.985219 0.661428 Ce\n0.994296 0.005704 0.888151 Ce\n0.985219 0.014781 0.338572 Ce\n0.704774 0.704774 0.000000 Ce\n0.955718 0.468632 0.627936 Ce\n0.795226 0.795226 0.500000 Ce\n0.514781 0.485219 0.838572 Ce\n0.505704 0.494296 0.388151 Ce\n0.295226 0.295226 0.000000 Ce\n0.485219 0.514781 0.161428 Ce\n0.544282 0.031368 0.127936 Ce\n0.494296 0.505704 0.611849 Ce\n0.031368 0.544282 0.872064 Ce\n0.468632 0.955718 0.372064 Ce\n0.204774 0.204774 0.500000 Ce\n0.968632 0.455718 0.127936 Ce\n0.005704 0.994296 0.111849 Ce\n0.044282 0.531368 0.372064 Ce\n0.531368 0.044282 0.627936 Ce\n0.455718 0.968632 0.872064 Ce\n0.726814 0.273186 0.273059 Si\n0.273186 0.726814 0.726941 Si\n0.760417 0.239583 0.983947 Si\n0.715954 0.784046 0.750000 Si\n0.239583 0.760417 0.016053 Si\n0.260417 0.739583 0.516053 Si\n0.739583 0.260417 0.483947 Si\n0.773186 0.226814 0.773059 Si\n0.215954 0.284046 0.750000 Si\n0.784046 0.715954 0.250000 Si\n0.284046 0.215954 0.250000 Si\n0.226814 0.773186 0.226941 Si\n0.987598 0.277981 0.998614 N\n0.743459 0.006917 0.758401 N\n0.635806 0.364194 0.050282 N\n0.303739 0.226248 0.846707 N\n0.656053 0.343947 0.702854 N\n0.273752 0.196261 0.653293 N\n0.196261 0.273752 0.346707 N\n0.343947 0.656053 0.297146 N\n0.722019 0.012402 0.998614 N\n0.156053 0.843947 0.797146 N\n0.256541 0.993083 0.241599 N\n0.722623 0.277377 0.876487 N\n0.277377 0.722623 0.123513 N\n0.803739 0.726248 0.653293 N\n0.006917 0.743459 0.241599 N\n0.135806 0.864194 0.449718 N\n0.696261 0.773752 0.153293 N\n0.506917 0.243459 0.258401 N\n0.012402 0.722019 0.001386 N\n0.777377 0.222623 0.376487 N\n0.493083 0.756541 0.741599 N\n0.726248 0.803739 0.346707 N\n0.512402 0.222019 0.498614 N\n0.756541 0.493083 0.258401 N\n0.226248 0.303739 0.153293 N\n0.364194 0.635806 0.949718 N\n0.243459 0.506917 0.741599 N\n0.222019 0.512402 0.501386 N\n0.277981 0.987598 0.001386 N\n0.773752 0.696261 0.846707 N\n0.993083 0.256541 0.758401 N\n0.843947 0.156053 0.202854 N\n0.777981 0.487598 0.498614 N\n0.487598 0.777981 0.501386 N\n0.222623 0.777377 0.623513 N\n0.864194 0.135806 0.550282 N\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Ce",
"Si",
"N"
],
"chemical_system": "Ce-N-Si",
"density": 6.4622302084549075,
"density_atomic": 0.07262950305554931,
"volume": 936.2586433779048,
"volume_molar": 8.291590203218213,
"formula_full": "Ce20 Si12 N36",
"formula_reduced": "Ce5(SiN3)3",
"formula_anonymous": "A3B5C9",
"energy": -584.74218295,
"energy_per_atom": -8.599149749264706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -571.74618295,
"band_gap": 0.0038,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9914346,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.878000Z",
"spacegroup": 64
},
{
"id": "mp-1196829",
"created_at": "2022-09-04T14:41:13.445047Z",
"structure_string": "Ce20 Si16\n1.0\n7.817201 0.000000 0.000000\n0.000000 7.817201 0.000000\n0.000000 0.000000 14.627391\nCe Si\n20 16\ndirect\n0.178602 0.821398 0.750000 Ce\n0.821398 0.178602 0.250000 Ce\n0.321398 0.321398 0.500000 Ce\n0.678602 0.678602 0.000000 Ce\n0.139850 0.503759 0.292742 Ce\n0.860150 0.496241 0.792742 Ce\n0.003759 0.360150 0.042742 Ce\n0.996241 0.639850 0.542742 Ce\n0.496241 0.860150 0.207258 Ce\n0.503759 0.139850 0.707258 Ce\n0.360150 0.003759 0.957258 Ce\n0.639850 0.996241 0.457258 Ce\n0.132823 0.995922 0.374734 Ce\n0.867177 0.004078 0.874734 Ce\n0.495922 0.367177 0.124734 Ce\n0.504078 0.632823 0.624734 Ce\n0.004078 0.867177 0.125266 Ce\n0.995922 0.132823 0.625266 Ce\n0.367177 0.495922 0.875266 Ce\n0.632823 0.504078 0.375266 Ce\n0.343605 0.708114 0.439540 Si\n0.656395 0.291886 0.939540 Si\n0.208114 0.156395 0.189540 Si\n0.791886 0.843605 0.689540 Si\n0.291886 0.656395 0.060460 Si\n0.708114 0.343605 0.560460 Si\n0.156395 0.208114 0.810460 Si\n0.843605 0.791886 0.310460 Si\n0.298269 0.935260 0.558981 Si\n0.701731 0.064740 0.058981 Si\n0.435260 0.201731 0.308981 Si\n0.564740 0.798269 0.808981 Si\n0.064740 0.701731 0.941019 Si\n0.935260 0.298269 0.441019 Si\n0.201731 0.435260 0.691019 Si\n0.798269 0.564740 0.191019 Si\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ce",
"Si"
],
"chemical_system": "Ce-Si",
"density": 6.0407176586457,
"density_atomic": 0.04027477032226728,
"volume": 893.8598460509698,
"volume_molar": 14.952638368419086,
"formula_full": "Ce20 Si16",
"formula_reduced": "Ce5Si4",
"formula_anonymous": "A4B5",
"energy": -226.13097407,
"energy_per_atom": -6.281415946388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -227.26697407,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9942799,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:29.040000Z",
"spacegroup": 92
},
{
"id": "mp-694972",
"created_at": "2022-09-04T14:45:11.150789Z",
"structure_string": "Ce20 Si20 Br2 N34 O18\n1.0\n10.639753 -0.008085 -0.003504\n-0.007936 11.296154 -0.001647\n-0.002760 -0.001950 11.627681\nCe Si Br N O\n20 20 2 34 18\ndirect\n0.992106 -0.000243 0.832838 Ce\n0.109780 0.628444 -0.000135 Ce\n0.127240 0.880481 0.500001 Ce\n0.137435 0.398262 0.756844 Ce\n0.139209 0.397843 0.242604 Ce\n0.358410 0.904080 0.242037 Ce\n0.361662 0.899442 0.758960 Ce\n0.373112 0.378606 0.498339 Ce\n0.382143 0.127842 0.003653 Ce\n0.500513 0.500158 0.171526 Ce\n0.501250 0.501783 0.828673 Ce\n0.634857 0.872677 0.995219 Ce\n0.622918 0.623720 0.501040 Ce\n0.642362 0.102116 0.237472 Ce\n0.644658 0.098011 0.762673 Ce\n0.857744 0.597577 0.232479 Ce\n0.857076 0.598529 0.767875 Ce\n0.878095 0.124590 0.500037 Ce\n0.880311 0.373896 0.000149 Ce\n0.991667 -0.000840 0.166855 Ce\n0.116467 0.744819 0.247208 Si\n0.116796 0.744554 0.752914 Si\n0.149779 0.142610 0.637192 Si\n0.149817 0.143147 0.363890 Si\n0.212593 0.887418 -0.000055 Si\n0.286702 0.388383 -0.000527 Si\n0.349207 0.643740 0.635786 Si\n0.349303 0.644687 0.364403 Si\n0.384788 0.238648 0.245141 Si\n0.383228 0.244147 0.753498 Si\n0.616327 0.756205 0.246352 Si\n0.614979 0.761289 0.754385 Si\n0.650844 0.355106 0.635513 Si\n0.650570 0.355923 0.364810 Si\n0.718380 0.611290 0.000197 Si\n0.788076 0.108331 -0.000241 Si\n0.849580 0.854974 0.365014 Si\n0.849670 0.854875 0.635327 Si\n0.884563 0.261481 0.245230 Si\n0.884906 0.261406 0.754653 Si\n0.040297 0.472329 0.500455 Br\n0.461095 0.972054 0.500070 Br\n0.019908 0.191261 0.288671 N\n0.020391 0.191328 0.712069 N\n0.103787 0.107677 0.500291 N\n0.167531 0.814897 0.121878 N\n0.168355 0.813405 0.878673 N\n0.231558 0.747659 0.649238 N\n0.230788 0.747630 0.351285 N\n0.268078 0.247275 0.650156 N\n0.268607 0.247332 0.349741 N\n0.331440 0.315640 0.877727 N\n0.331058 0.317210 0.122308 N\n0.396197 0.607911 0.499889 N\n0.422136 0.099354 0.197815 N\n0.478847 0.692906 0.288631 N\n0.479494 0.690861 0.711000 N\n0.520307 0.308279 0.289245 N\n0.521347 0.306539 0.711464 N\n0.579247 0.900918 0.801230 N\n0.603319 0.392797 0.500202 N\n0.666039 0.680976 0.877036 N\n0.665360 0.682921 0.122356 N\n0.730817 0.751375 0.648950 N\n0.730470 0.751823 0.351224 N\n0.769042 0.251290 0.648471 N\n0.768236 0.251642 0.350924 N\n0.828809 0.183043 0.123665 N\n0.829302 0.182832 0.876089 N\n0.847292 0.966779 0.999521 N\n0.879460 0.591100 0.000856 N\n0.897499 0.891752 0.500160 N\n0.922188 0.401255 0.199845 N\n0.923511 0.401038 0.799728 N\n0.978451 0.806151 0.288607 N\n0.978542 0.806388 0.712329 N\n0.084129 0.606491 0.204541 O\n0.084282 0.606238 0.794924 O\n0.130329 0.409534 0.998489 O\n0.153490 0.024688 0.999394 O\n0.181793 0.009695 0.693649 O\n0.180334 0.009129 0.308424 O\n0.318855 0.511591 0.306339 O\n0.317896 0.510972 0.693416 O\n0.346781 0.525542 0.999154 O\n0.368763 0.909215 0.000363 O\n0.417754 0.106363 0.795587 O\n0.582851 0.894013 0.204077 O\n0.626855 0.095491 0.999510 O\n0.649971 0.475309 0.000347 O\n0.681355 0.490004 0.308444 O\n0.680979 0.489003 0.692472 O\n0.816788 0.988060 0.308375 O\n0.818864 0.989025 0.690869 O\n",
"nsites": 94,
"nelements": 5,
"elements": [
"Ce",
"Si",
"Br",
"N",
"O"
],
"chemical_system": "Br-Ce-N-O-Si",
"density": 5.095120528196038,
"density_atomic": 0.0672624792343655,
"volume": 1397.5101879975584,
"volume_molar": 8.953194750697191,
"formula_full": "Ce20 Si20 Br2 N34 O18",
"formula_reduced": "Ce10Si10BrN17O9",
"formula_anonymous": "AB9C10D10E17",
"energy": -808.27431129,
"energy_per_atom": -8.59866288606383,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -782.5663112899999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3435264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.033000Z",
"spacegroup": 1
},
{
"id": "mp-21693",
"created_at": "2022-09-04T14:39:58.318880Z",
"structure_string": "Ce20 Sn16\n1.0\n8.347293 0.000000 0.000000\n0.000000 8.459252 0.000000\n0.000000 0.000000 15.963947\nCe Sn\n20 16\ndirect\n0.123534 0.337086 0.877691 Ce\n0.623534 0.162914 0.622309 Ce\n0.376466 0.837086 0.122309 Ce\n0.876466 0.662914 0.377691 Ce\n0.123534 0.337086 0.622309 Ce\n0.623534 0.162914 0.877691 Ce\n0.376466 0.837086 0.377691 Ce\n0.876466 0.662914 0.122309 Ce\n0.015057 0.200131 0.405437 Ce\n0.515057 0.299869 0.094563 Ce\n0.484943 0.700131 0.594563 Ce\n0.984943 0.799869 0.905437 Ce\n0.984943 0.799869 0.594563 Ce\n0.484943 0.700131 0.905437 Ce\n0.515057 0.299869 0.405437 Ce\n0.015057 0.200131 0.094563 Ce\n0.306612 0.011634 0.750000 Ce\n0.806612 0.488366 0.750000 Ce\n0.193388 0.511634 0.250000 Ce\n0.693388 0.988366 0.250000 Ce\n0.781956 0.467828 0.541309 Sn\n0.281956 0.032172 0.958691 Sn\n0.718044 0.967828 0.458691 Sn\n0.218044 0.532172 0.041309 Sn\n0.218044 0.532172 0.458691 Sn\n0.718044 0.967828 0.041309 Sn\n0.281956 0.032172 0.541309 Sn\n0.781956 0.467828 0.958691 Sn\n0.931637 0.095017 0.750000 Sn\n0.431637 0.404983 0.750000 Sn\n0.568363 0.595017 0.250000 Sn\n0.068363 0.904983 0.250000 Sn\n0.177033 0.648643 0.750000 Sn\n0.677033 0.851357 0.750000 Sn\n0.322967 0.148643 0.250000 Sn\n0.822967 0.351357 0.250000 Sn\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ce",
"Sn"
],
"chemical_system": "Ce-Sn",
"density": 6.926028380702411,
"density_atomic": 0.031936300256659604,
"volume": 1127.2439108688866,
"volume_molar": 18.856726394737024,
"formula_full": "Ce20 Sn16",
"formula_reduced": "Ce5Sn4",
"formula_anonymous": "A4B5",
"energy": -203.5752676,
"energy_per_atom": -5.654868544444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -203.5752676,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.868474,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.021000Z",
"spacegroup": 62
},
{
"id": "mp-645273",
"created_at": "2022-09-04T14:45:03.297411Z",
"structure_string": "Ce20 Te38\n1.0\n10.068877 0.000000 0.000000\n0.000000 10.068877 0.000000\n0.000000 0.000000 18.126749\nCe Te\n20 38\ndirect\n0.500000 0.000000 0.630634 Ce\n0.600384 0.706402 0.368579 Ce\n0.706402 0.399616 0.631421 Ce\n0.399616 0.293598 0.368579 Ce\n0.793598 0.100384 0.868579 Ce\n0.397218 0.299261 0.859830 Ce\n0.700739 0.397218 0.140170 Ce\n0.102782 0.200739 0.640170 Ce\n0.200739 0.897218 0.359830 Ce\n0.299261 0.602782 0.140170 Ce\n0.100384 0.206402 0.131421 Ce\n0.899616 0.793598 0.131421 Ce\n0.602782 0.700739 0.859830 Ce\n0.293598 0.600384 0.631421 Ce\n0.206402 0.899616 0.868579 Ce\n0.000000 0.500000 0.369366 Ce\n0.897218 0.799261 0.640170 Ce\n0.799261 0.102782 0.359830 Ce\n0.500000 0.000000 0.130634 Ce\n0.000000 0.500000 0.869366 Ce\n0.099591 0.197104 0.315345 Te\n0.902446 0.799769 0.820811 Te\n0.802896 0.099591 0.684655 Te\n0.197104 0.900409 0.684655 Te\n0.585861 0.225650 0.999557 Te\n0.774350 0.585861 0.000443 Te\n0.914139 0.274350 0.500443 Te\n0.097554 0.200231 0.820811 Te\n0.597554 0.700231 0.679189 Te\n0.000000 0.000000 0.000000 Te\n0.085861 0.725650 0.500443 Te\n0.195214 0.390970 0.500115 Te\n0.697104 0.400409 0.815345 Te\n0.402446 0.299769 0.679189 Te\n0.000000 0.500000 0.184539 Te\n0.500000 0.000000 0.815461 Te\n0.200231 0.902446 0.179189 Te\n0.109030 0.695214 0.000115 Te\n0.302896 0.599591 0.815345 Te\n0.799769 0.097554 0.179189 Te\n0.304786 0.109030 0.999885 Te\n0.890970 0.304786 0.000115 Te\n0.299769 0.597554 0.320811 Te\n0.000000 0.500000 0.684539 Te\n0.225650 0.414139 0.000443 Te\n0.700231 0.402446 0.320811 Te\n0.609030 0.195214 0.499885 Te\n0.725650 0.914139 0.499557 Te\n0.274350 0.085861 0.499557 Te\n0.400409 0.302896 0.184655 Te\n0.414139 0.774350 0.999557 Te\n0.599591 0.697104 0.184655 Te\n0.390970 0.804786 0.499885 Te\n0.900409 0.802896 0.315345 Te\n0.695214 0.890970 0.999885 Te\n0.804786 0.609030 0.500115 Te\n0.500000 0.000000 0.315461 Te\n0.500000 0.500000 0.500000 Te\n",
"nsites": 58,
"nelements": 2,
"elements": [
"Ce",
"Te"
],
"chemical_system": "Ce-Te",
"density": 6.913406897372273,
"density_atomic": 0.03156065451761394,
"volume": 1837.7312158602513,
"volume_molar": 19.081165622338585,
"formula_full": "Ce20 Te38",
"formula_reduced": "Ce10Te19",
"formula_anonymous": "A10B19",
"energy": -327.13371196,
"energy_per_atom": -5.640236413103449,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.09771196,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3839884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:53.318000Z",
"spacegroup": 86
},
{
"id": "mp-1195151",
"created_at": "2022-09-04T14:43:05.448475Z",
"structure_string": "Ce20 Zn10 Se20 O20\n1.0\n-0.000000 -5.627010 0.000000\n14.065239 -2.813505 -8.977849\n14.065239 -2.813505 8.977849\nCe Zn Se O\n20 10 20 20\ndirect\n0.557734 0.019388 0.380844 Ce\n0.042035 0.380844 0.019388 Ce\n0.457965 0.480612 0.119156 Ce\n0.942266 0.119156 0.480612 Ce\n0.442266 0.980612 0.619156 Ce\n0.957965 0.619156 0.980612 Ce\n0.542035 0.519388 0.880844 Ce\n0.057734 0.880844 0.519388 Ce\n0.328314 0.219334 0.581022 Ce\n0.871330 0.581022 0.219334 Ce\n0.628670 0.280666 0.918978 Ce\n0.171686 0.918978 0.280666 Ce\n0.671686 0.780666 0.418978 Ce\n0.128670 0.418978 0.780666 Ce\n0.371330 0.719334 0.081022 Ce\n0.828314 0.081022 0.719334 Ce\n0.726046 0.319502 0.680498 Ce\n0.273954 0.680498 0.319502 Ce\n0.226046 0.180498 0.819502 Ce\n0.773954 0.819502 0.180498 Ce\n0.943943 0.556057 0.556057 Zn\n0.556057 0.943943 0.943943 Zn\n0.056057 0.443943 0.443943 Zn\n0.443943 0.056057 0.056057 Zn\n0.348263 0.651737 0.651737 Zn\n0.151737 0.848263 0.848263 Zn\n0.651737 0.348263 0.348263 Zn\n0.848263 0.151737 0.151737 Zn\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.545754 0.286459 0.113559 Se\n0.054228 0.113559 0.286459 Se\n0.445772 0.213541 0.386441 Se\n0.954246 0.386441 0.213541 Se\n0.454246 0.713541 0.886441 Se\n0.945772 0.886441 0.713541 Se\n0.554228 0.786459 0.613559 Se\n0.045754 0.613559 0.786459 Se\n0.365893 0.486536 0.312241 Se\n0.835329 0.312241 0.486536 Se\n0.664671 0.013464 0.187759 Se\n0.134107 0.187759 0.013464 Se\n0.634107 0.513464 0.687759 Se\n0.164671 0.687759 0.513464 Se\n0.335329 0.986536 0.812241 Se\n0.865893 0.812241 0.986536 Se\n0.780290 0.586136 0.413864 Se\n0.219710 0.413864 0.586136 Se\n0.280290 0.913864 0.086136 Se\n0.719710 0.086136 0.913864 Se\n0.750000 0.502241 0.997759 O\n0.750000 0.997759 0.502241 O\n0.250000 0.497759 0.002241 O\n0.250000 0.002241 0.497759 O\n0.164108 0.601376 0.098576 O\n0.135940 0.098576 0.601376 O\n0.364060 0.898624 0.401424 O\n0.335892 0.401424 0.898624 O\n0.835892 0.398624 0.901424 O\n0.864060 0.901424 0.398624 O\n0.635940 0.101376 0.598576 O\n0.664108 0.598576 0.101376 O\n0.574160 0.699929 0.199916 O\n0.525996 0.199916 0.699929 O\n0.974004 0.800071 0.300084 O\n0.925840 0.300084 0.800071 O\n0.425840 0.300071 0.800084 O\n0.474004 0.800084 0.300071 O\n0.025996 0.199929 0.699916 O\n0.074160 0.699916 0.199929 O\n",
"nsites": 70,
"nelements": 4,
"elements": [
"Ce",
"Zn",
"Se",
"O"
],
"chemical_system": "Ce-O-Se-Zn",
"density": 6.257919506918982,
"density_atomic": 0.04925733877693504,
"volume": 1421.1080366521505,
"volume_molar": 12.22587518840927,
"formula_full": "Ce20 Zn10 Se20 O20",
"formula_reduced": "Ce2Zn(SeO)2",
"formula_anonymous": "AB2C2D2",
"energy": -483.38479944,
"energy_per_atom": -6.905497134857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -460.20479944,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9999794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.175000Z",
"spacegroup": 72
},
{
"id": "mp-647805",
"created_at": "2022-09-04T14:44:19.765974Z",
"structure_string": "Ce21 Fe8 Bi7 C12\n1.0\n0.000000 8.059582 8.059582\n8.059582 0.000000 8.059582\n8.059582 8.059582 0.000000\nCe Fe Bi C\n21 8 7 12\ndirect\n0.657148 0.000000 0.342852 Ce\n0.000000 0.342852 0.000000 Ce\n0.657148 0.000000 0.000000 Ce\n0.638719 0.083843 0.638719 Ce\n0.000000 0.342852 0.657148 Ce\n0.000000 0.000000 0.342852 Ce\n0.361281 0.361281 0.361281 Ce\n0.916157 0.361281 0.361281 Ce\n0.000000 0.000000 0.657148 Ce\n0.342852 0.000000 0.657148 Ce\n0.000000 0.657148 0.342852 Ce\n0.342852 0.657148 0.000000 Ce\n0.000000 0.657148 0.000000 Ce\n0.342852 0.000000 0.000000 Ce\n0.361281 0.361281 0.916157 Ce\n0.638719 0.638719 0.083843 Ce\n0.361281 0.916157 0.361281 Ce\n0.657148 0.342852 0.000000 Ce\n0.638719 0.638719 0.638719 Ce\n0.083843 0.638719 0.638719 Ce\n0.500000 0.500000 0.500000 Ce\n0.193742 0.193742 0.418775 Fe\n0.581225 0.806258 0.806258 Fe\n0.806258 0.581225 0.806258 Fe\n0.193742 0.418775 0.193742 Fe\n0.806258 0.806258 0.806258 Fe\n0.193742 0.193742 0.193742 Fe\n0.418775 0.193742 0.193742 Fe\n0.806258 0.806258 0.581225 Fe\n0.291974 0.708026 0.708026 Bi\n0.708026 0.708026 0.291974 Bi\n0.708026 0.291974 0.291974 Bi\n0.291974 0.291974 0.708026 Bi\n0.708026 0.291974 0.708026 Bi\n0.291974 0.708026 0.291974 Bi\n0.000000 0.000000 0.000000 Bi\n0.895830 0.604170 0.604170 C\n0.895830 0.895830 0.604170 C\n0.395830 0.395830 0.104170 C\n0.104170 0.104170 0.395830 C\n0.395830 0.104170 0.104170 C\n0.604170 0.604170 0.895830 C\n0.604170 0.895830 0.604170 C\n0.895830 0.604170 0.895830 C\n0.604170 0.895830 0.895830 C\n0.104170 0.395830 0.395830 C\n0.395830 0.104170 0.395830 C\n0.104170 0.395830 0.104170 C\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Ce",
"Fe",
"Bi",
"C"
],
"chemical_system": "Bi-C-Ce-Fe",
"density": 7.923558148656938,
"density_atomic": 0.04584306929836128,
"volume": 1047.0503117407068,
"volume_molar": 13.136425750217533,
"formula_full": "Ce21 Fe8 Bi7 C12",
"formula_reduced": "Ce21Fe8Bi7C12",
"formula_anonymous": "A7B8C12D21",
"energy": -351.4601994,
"energy_per_atom": -7.3220874875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.4601994,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.6689154,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.619000Z",
"spacegroup": 225
},
{
"id": "mp-675160",
"created_at": "2022-09-04T14:45:06.431072Z",
"structure_string": "Ce22 Mn2 S32\n1.0\n24.073816 -0.033810 17.124012\n6.010001 6.010001 0.000000\n0.000000 0.000000 8.562006\nCe Mn S\n22 2 32\ndirect\n0.998975 0.124284 0.745732 Ce\n0.059643 0.633638 0.378875 Ce\n0.124623 0.251026 0.627454 Ce\n0.250668 0.369345 0.246292 Ce\n0.190357 0.872209 0.121125 Ce\n0.251025 0.120183 0.754268 Ce\n0.125377 0.749517 0.872546 Ce\n0.313970 0.624682 0.365148 Ce\n0.375000 0.250000 0.621303 Ce\n0.498975 0.379817 0.258370 Ce\n0.436030 0.875318 0.121026 Ce\n0.499332 0.130655 0.748965 Ce\n0.559643 0.627791 0.382554 Ce\n0.625377 0.248974 0.625944 Ce\n0.751025 0.375716 0.241630 Ce\n0.690357 0.866362 0.117446 Ce\n0.750668 0.127982 0.751035 Ce\n0.624623 0.750483 0.874056 Ce\n0.813970 0.619439 0.378974 Ce\n0.999332 0.372018 0.253708 Ce\n0.936030 0.880561 0.134852 Ce\n0.875000 0.750000 0.878697 Ce\n0.375000 0.750000 0.873396 Mn\n0.875000 0.250000 0.626604 Mn\n0.086522 0.501459 0.003269 S\n0.038304 0.347496 0.498754 S\n0.029612 0.011446 0.359092 S\n0.220388 0.129893 0.140908 S\n0.211696 0.500713 0.001246 S\n0.087264 0.649333 0.650452 S\n0.162736 -0.001611 0.849548 S\n0.163478 0.847546 0.496731 S\n0.340452 0.507547 -0.014060 S\n0.287404 0.350361 0.498608 S\n0.285269 0.006975 0.361819 S\n0.462596 0.149639 0.148225 S\n0.464731 0.493025 0.002893 S\n0.409548 -0.007547 0.847748 S\n0.336505 0.648237 0.644554 S\n0.413495 0.851763 0.490575 S\n0.587264 0.501611 0.000492 S\n0.529612 0.370107 0.522461 S\n0.538304 -0.000713 0.348029 S\n0.711696 0.152504 0.151971 S\n0.720388 0.488554 -0.022461 S\n0.663478 -0.001459 0.849356 S\n0.586522 0.652454 0.650644 S\n0.662736 0.850667 0.499508 S\n0.836505 0.505742 0.009425 S\n0.785269 0.351950 0.497107 S\n0.787404 0.000022 0.351775 S\n0.964731 0.148050 0.138181 S\n0.962596 0.499978 0.001392 S\n0.913495 -0.005742 0.855446 S\n0.840452 0.630645 0.652252 S\n0.909548 0.869355 0.514060 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"S"
],
"chemical_system": "Ce-Mn-S",
"density": 5.646813786561938,
"density_atomic": 0.04514228201649444,
"volume": 1240.522133540752,
"volume_molar": 13.34035518585344,
"formula_full": "Ce22 Mn2 S32",
"formula_reduced": "Ce11MnS16",
"formula_anonymous": "AB11C16",
"energy": -403.20839323,
"energy_per_atom": -7.200149879107143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -387.11239323,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.3105314,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.812000Z",
"spacegroup": 18
}
]
}