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=-elements&page=10396",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=10394",
"results": [
{
"id": "mp-561113",
"created_at": "2022-09-04T14:44:59.292845Z",
"structure_string": "Ag8 Bi4 O12\n1.0\n6.359449 0.000000 0.000000\n0.000000 6.123629 0.000000\n0.000000 5.822367 9.783089\nAg Bi O\n8 4 12\ndirect\n0.238480 0.229616 0.513830 Ag\n0.502433 0.232657 0.746580 Ag\n0.995620 0.281857 0.255137 Ag\n0.240184 0.750075 0.496629 Ag\n0.759816 0.750075 0.996629 Ag\n0.004380 0.281857 0.755137 Ag\n0.497567 0.232657 0.246580 Ag\n0.761520 0.229616 0.013830 Ag\n0.263293 0.601830 0.894289 Bi\n0.736707 0.601830 0.394289 Bi\n0.749492 0.898273 0.602846 Bi\n0.250508 0.898273 0.102846 Bi\n0.553162 0.846167 0.770260 O\n0.081272 0.888011 0.932314 O\n0.563354 0.626631 0.568357 O\n0.998886 0.662296 0.735429 O\n0.446838 0.846167 0.270260 O\n0.449602 0.221505 0.951838 O\n0.918728 0.888011 0.432314 O\n0.920450 0.245382 0.565412 O\n0.550398 0.221505 0.451838 O\n0.079550 0.245382 0.065412 O\n0.436646 0.626631 0.068357 O\n0.001114 0.662296 0.235429 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"O"
],
"chemical_system": "Ag-Bi-O",
"density": 8.24145910187676,
"density_atomic": 0.06299511561482482,
"volume": 380.9819184513412,
"volume_molar": 9.559694749703407,
"formula_full": "Ag8 Bi4 O12",
"formula_reduced": "Ag2BiO3",
"formula_anonymous": "AB2C3",
"energy": -119.66470473,
"energy_per_atom": -4.98602936375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.42070472999998,
"band_gap": 0.5211999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004219,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.007000Z",
"spacegroup": 7
},
{
"id": "mp-686119",
"created_at": "2022-09-04T14:47:38.730973Z",
"structure_string": "Ag13 Bi14 I56\n1.0\n8.797620 0.000000 0.000000\n-4.366309 7.901287 0.000000\n-0.004199 -3.877654 51.610849\nAg Bi I\n13 14 56\ndirect\n0.000000 0.500000 0.000000 Ag\n0.787580 0.072705 0.858315 Ag\n0.283697 0.071383 0.857993 Ag\n0.571201 0.643041 0.714526 Ag\n0.071885 0.643191 0.714552 Ag\n0.642515 0.785337 0.428519 Ag\n0.142920 0.785489 0.428508 Ag\n0.857080 0.214511 0.571492 Ag\n0.357485 0.214663 0.571481 Ag\n0.428799 0.356959 0.285474 Ag\n0.928115 0.356809 0.285448 Ag\n0.716303 0.928617 0.142007 Ag\n0.212420 0.927295 0.141685 Ag\n0.000000 0.000000 0.000000 Bi\n0.146919 0.290009 0.930252 Bi\n0.283674 0.569113 0.857617 Bi\n0.570714 0.141935 0.714447 Bi\n0.714138 0.427953 0.643011 Bi\n0.142968 0.285930 0.428514 Bi\n0.285862 0.572047 0.356989 Bi\n0.428184 0.855577 0.786108 Bi\n0.000000 0.000000 0.500000 Bi\n0.429286 0.858065 0.285553 Bi\n0.857032 0.714070 0.571486 Bi\n0.853081 0.709991 0.069748 Bi\n0.571816 0.144423 0.213892 Bi\n0.716326 0.430887 0.142383 Bi\n0.295632 0.615967 0.964296 I\n0.812527 0.124036 0.962267 I\n0.460352 0.922746 0.888465 I\n0.318644 0.140837 0.963677 I\n0.968170 0.437766 0.892927 I\n0.591498 0.183388 0.823045 I\n0.469803 0.441264 0.894100 I\n0.102714 0.704376 0.820047 I\n0.747010 0.494202 0.745564 I\n0.842983 0.649518 0.969106 I\n0.978803 0.956374 0.891133 I\n0.602719 0.705043 0.820141 I\n0.254851 0.010303 0.750617 I\n0.878626 0.757301 0.679602 I\n0.755037 0.009604 0.750804 I\n0.111709 0.221181 0.825442 I\n0.388344 0.276572 0.677391 I\n0.032684 0.065593 0.602751 I\n0.887917 0.275905 0.677517 I\n0.263521 0.526835 0.748708 I\n0.540851 0.581638 0.607965 I\n0.164585 0.329190 0.536846 I\n0.040384 0.580904 0.608091 I\n0.396091 0.791881 0.682826 I\n0.674113 0.847820 0.534635 I\n0.318225 0.636685 0.459993 I\n0.173424 0.846997 0.534760 I\n0.549422 0.098807 0.605923 I\n0.826576 0.153003 0.465240 I\n0.450578 0.901193 0.394077 I\n0.325887 0.152180 0.465365 I\n0.681775 0.363315 0.540007 I\n0.959616 0.419096 0.391909 I\n0.603909 0.208119 0.317174 I\n0.835415 0.670810 0.463154 I\n0.459149 0.418362 0.392035 I\n0.112083 0.724095 0.322483 I\n0.736479 0.473165 0.251292 I\n0.611656 0.723428 0.322609 I\n0.967316 0.934407 0.397249 I\n0.244963 0.990396 0.249196 I\n0.888291 0.778819 0.174558 I\n0.121374 0.242699 0.320398 I\n0.745149 0.989697 0.249383 I\n0.021197 0.043626 0.108867 I\n0.397281 0.294957 0.179859 I\n0.897286 0.295624 0.179953 I\n0.252990 0.505798 0.254436 I\n0.530197 0.558736 0.105900 I\n0.157017 0.350482 0.030894 I\n0.031830 0.562234 0.107073 I\n0.408502 0.816612 0.176955 I\n0.681356 0.859163 0.036323 I\n0.187473 0.875964 0.037733 I\n0.539648 0.077254 0.111535 I\n0.704368 0.384033 0.035704 I\n",
"nsites": 83,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 5.292591917665477,
"density_atomic": 0.023135242320453303,
"volume": 3587.6002010414095,
"volume_molar": 26.030160724428512,
"formula_full": "Ag13 Bi14 I56",
"formula_reduced": "Ag13(BiI4)14",
"formula_anonymous": "A13B14C56",
"energy": -228.78605669,
"energy_per_atom": -2.7564585143373495,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -207.56205669,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5530968,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.860000Z",
"spacegroup": 2
},
{
"id": "mp-685283",
"created_at": "2022-09-04T14:44:02.543283Z",
"structure_string": "Ag13 Bi15 I64\n1.0\n7.701419 0.148423 4.720454\n2.664719 7.479040 4.793566\n0.438762 1.048271 74.712989\nAg Bi I\n13 15 64\ndirect\n0.506595 0.001439 0.998659 Ag\n0.486225 0.993708 0.128346 Ag\n0.457042 0.993267 0.255233 Ag\n0.489464 0.002298 0.376938 Ag\n0.004107 0.482846 0.377922 Ag\n0.004307 0.513532 0.622520 Ag\n0.499871 0.999879 0.499999 Ag\n0.998988 0.500887 0.499925 Ag\n0.514765 0.002383 0.622470 Ag\n0.006412 0.524800 0.870367 Ag\n0.525503 0.002851 0.745649 Ag\n0.006951 0.521042 0.745871 Ag\n0.528680 0.999969 0.870466 Ag\n0.994862 0.004728 0.999413 Bi\n0.993641 0.509489 0.998738 Bi\n0.004076 0.490080 0.126373 Bi\n0.993357 0.006458 0.062423 Bi\n-0.000469 0.960129 0.315979 Bi\n0.007518 0.991095 0.126582 Bi\n0.993952 0.472050 0.253717 Bi\n0.985827 0.989893 0.195418 Bi\n0.994161 0.000195 0.437981 Bi\n0.004631 0.003495 0.562451 Bi\n0.007411 0.010072 0.682149 Bi\n0.000105 0.997255 0.873391 Bi\n0.012206 0.014568 0.933057 Bi\n0.000820 0.997812 0.747802 Bi\n0.002724 0.005006 0.809212 Bi\n0.249564 0.241161 0.029573 I\n0.242061 0.251041 0.095433 I\n0.237049 0.776257 0.030814 I\n0.728596 0.287399 0.030890 I\n0.258704 0.248046 0.153933 I\n0.255261 0.740527 0.096253 I\n0.755595 0.224215 0.094831 I\n0.758350 0.756658 0.029330 I\n0.277822 0.246706 0.221585 I\n0.256880 0.760714 0.154428 I\n0.752060 0.254088 0.154400 I\n0.753773 0.760855 0.094810 I\n0.236372 0.265478 0.281723 I\n0.257982 0.756981 0.217792 I\n0.755058 0.238270 0.218804 I\n0.758690 0.745801 0.154936 I\n0.244909 0.247346 0.352827 I\n0.237518 0.761926 0.282638 I\n0.751493 0.252566 0.281524 I\n0.766876 0.750812 0.217498 I\n0.236424 0.246045 0.411154 I\n0.227825 0.724641 0.346012 I\n0.742732 0.763929 0.275528 I\n0.725062 0.205199 0.347257 I\n0.249689 0.254959 0.476472 I\n0.269220 0.783374 0.404504 I\n0.766808 0.265188 0.406094 I\n0.757367 0.748879 0.340105 I\n0.245008 0.238615 0.535630 I\n0.220023 0.722022 0.471413 I\n0.729748 0.212972 0.471272 I\n0.743450 0.742153 0.399331 I\n0.256611 0.260160 0.600353 I\n0.271508 0.786910 0.528506 I\n0.779449 0.278810 0.528501 I\n0.756727 0.760405 0.464255 I\n0.243337 0.239023 0.657740 I\n0.239842 0.740239 0.593155 I\n0.242279 0.242231 0.723701 I\n0.745017 0.230390 0.593501 I\n0.748996 0.744917 0.523688 I\n0.259059 0.773185 0.655123 I\n0.762825 0.263292 0.655433 I\n0.753788 0.757001 0.591069 I\n0.236928 0.238311 0.779749 I\n0.255197 0.760196 0.719840 I\n0.240781 0.241976 0.849110 I\n0.757905 0.252421 0.719717 I\n0.758886 0.752257 0.646821 I\n0.236631 0.750192 0.783850 I\n0.743605 0.235921 0.783648 I\n0.754559 0.753931 0.720396 I\n0.239970 0.245846 0.904817 I\n0.254474 0.760207 0.844946 I\n0.757640 0.250566 0.844566 I\n0.755303 0.758061 0.776829 I\n0.239234 0.243596 0.970792 I\n0.237600 0.753942 0.907556 I\n0.745000 0.238479 0.908184 I\n0.749074 0.748807 0.846406 I\n0.258801 0.725000 0.967207 I\n0.754812 0.230222 0.969221 I\n0.753769 0.759460 0.902699 I\n0.738690 0.757997 0.970780 I\n",
"nsites": 92,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 4.965679953584602,
"density_atomic": 0.0217331269716667,
"volume": 4233.169029009937,
"volume_molar": 27.709499732141698,
"formula_full": "Ag13 Bi15 I64",
"formula_reduced": "Ag13Bi15I64",
"formula_anonymous": "A13B15C64",
"energy": -243.30382136,
"energy_per_atom": -2.6446067539130436,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -219.04782136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0349192,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.689000Z",
"spacegroup": 1
},
{
"id": "mp-35909",
"created_at": "2022-09-04T14:48:22.166386Z",
"structure_string": "Ag2 Bi2 I8\n1.0\n-4.402388 4.464136 6.436530\n4.402388 -4.464136 6.436530\n4.402388 4.464136 -6.436530\nAg Bi I\n2 2 8\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.224202 0.240824 0.983378 I\n0.757445 0.240824 0.516622 I\n0.745240 0.245512 0.000272 I\n0.745240 0.744968 0.499728 I\n0.254760 0.255032 0.500272 I\n0.242555 0.759176 0.483378 I\n0.254760 0.754488 0.999728 I\n0.775798 0.759176 0.016622 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 5.41146151853963,
"density_atomic": 0.023716124633640107,
"volume": 505.9848598947998,
"volume_molar": 25.392600405961364,
"formula_full": "Ag2 Bi2 I8",
"formula_reduced": "AgBiI4",
"formula_anonymous": "ABC4",
"energy": -33.16127657,
"energy_per_atom": -2.7634397141666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.12927657,
"band_gap": 0.9912,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:12.703000Z",
"spacegroup": 74
},
{
"id": "mp-686149",
"created_at": "2022-09-04T14:48:22.695632Z",
"structure_string": "Ag15 Bi16 I64\n1.0\n-8.808996 0.000000 0.000000\n-4.375854 -7.897557 0.000000\n-4.403488 -1.253881 59.097989\nAg Bi I\n15 16 64\ndirect\n0.000000 0.500000 0.000000 Ag\n0.627633 0.124783 0.124283 Ag\n0.123436 0.126172 0.124048 Ag\n0.875168 0.375467 0.374866 Ag\n0.250146 0.750791 0.249763 Ag\n0.749259 0.751008 0.249742 Ag\n0.374569 0.375442 0.374875 Ag\n0.625431 0.624558 0.625125 Ag\n0.500000 0.000000 0.500000 Ag\n0.124832 0.624533 0.625134 Ag\n0.000000 0.000000 0.500000 Ag\n0.749854 0.249209 0.750237 Ag\n0.372367 0.875217 0.875717 Ag\n0.250741 0.248992 0.750258 Ag\n0.876564 0.873828 0.875952 Ag\n0.000000 0.000000 0.000000 Bi\n0.808829 0.315482 0.060929 Bi\n0.437823 0.936062 0.187224 Bi\n0.627019 0.622918 0.124674 Bi\n0.062935 0.561686 0.312322 Bi\n0.875429 0.874265 0.374931 Bi\n0.251253 0.248627 0.249896 Bi\n0.124571 0.125735 0.625069 Bi\n0.687709 0.187201 0.437440 Bi\n0.937065 0.438314 0.687678 Bi\n0.500000 0.500000 0.500000 Bi\n0.312291 0.812799 0.562560 Bi\n0.191171 0.684518 0.939071 Bi\n0.748747 0.751373 0.750104 Bi\n0.562177 0.063938 0.812776 Bi\n0.372981 0.377082 0.875326 Bi\n0.681782 0.629540 0.031341 I\n0.469791 0.964666 0.097727 I\n0.161316 0.140595 0.032866 I\n0.659537 0.155380 0.031789 I\n0.297761 0.249957 0.154942 I\n0.964557 0.477190 0.093778 I\n0.465692 0.479844 0.092802 I\n0.093868 0.589825 0.222674 I\n0.137726 0.661723 0.027122 I\n0.783523 0.772567 0.157412 I\n0.953706 0.996877 0.095241 I\n0.285424 0.773599 0.157382 I\n0.921031 0.877638 0.280279 I\n0.588302 0.103397 0.218359 I\n0.090200 0.102843 0.218183 I\n0.779179 0.286693 0.152788 I\n0.408390 0.398417 0.282304 I\n0.718847 0.214828 0.347625 I\n0.579713 0.620729 0.219879 I\n0.911116 0.397971 0.282214 I\n0.545821 0.503015 0.405272 I\n0.213296 0.728078 0.343155 I\n0.715832 0.727589 0.343052 I\n0.405909 0.910335 0.277534 I\n0.343997 0.839627 0.472558 I\n0.033572 0.022985 0.407177 I\n0.536520 0.022425 0.407079 I\n0.204349 0.246447 0.344800 I\n0.170740 0.128225 0.530245 I\n0.838390 0.352734 0.468040 I\n0.341236 0.352206 0.467935 I\n0.030979 0.535434 0.402485 I\n0.658764 0.647794 0.532065 I\n0.969021 0.464566 0.597515 I\n0.161610 0.647266 0.531960 I\n0.829260 0.871775 0.469755 I\n0.795651 0.753553 0.655200 I\n0.463480 0.977575 0.592921 I\n0.966428 0.977015 0.592823 I\n0.656003 0.160373 0.527442 I\n0.594091 0.089665 0.722466 I\n0.284168 0.272411 0.656948 I\n0.454179 0.496985 0.594728 I\n0.786704 0.271922 0.656845 I\n0.420287 0.379271 0.780121 I\n0.088884 0.602029 0.717786 I\n0.220821 0.713307 0.847212 I\n0.909800 0.897157 0.781817 I\n0.591610 0.601583 0.717696 I\n0.281153 0.785172 0.652375 I\n0.411698 0.896603 0.781641 I\n0.078969 0.122362 0.719721 I\n0.046294 0.003123 0.904759 I\n0.714576 0.226401 0.842618 I\n0.906132 0.410175 0.777326 I\n0.534308 0.520156 0.907198 I\n0.216477 0.227433 0.842588 I\n0.862274 0.338277 0.972878 I\n0.035443 0.522810 0.906222 I\n0.702239 0.750043 0.845058 I\n0.340463 0.844620 0.968211 I\n0.838684 0.859405 0.967134 I\n0.530209 0.035334 0.902273 I\n0.318218 0.370460 0.968659 I\n",
"nsites": 95,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 5.28426173879392,
"density_atomic": 0.02310636985083684,
"volume": 4111.420383784751,
"volume_molar": 26.06268660493157,
"formula_full": "Ag15 Bi16 I64",
"formula_reduced": "Ag15(BiI4)16",
"formula_anonymous": "A15B16C64",
"energy": -261.86016843,
"energy_per_atom": -2.756422825578947,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -237.60416843,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5451095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:22.850000Z",
"spacegroup": 2
},
{
"id": "mp-685512",
"created_at": "2022-09-04T14:43:06.936578Z",
"structure_string": "Ag15 Bi7 I40\n1.0\n2.275858 7.268676 0.000000\n-2.275858 7.268676 0.000000\n0.000000 0.517399 73.684319\nAg Bi I\n15 7 40\ndirect\n0.004607 0.004607 0.997789 Ag\n0.907829 0.907829 0.097707 Ag\n0.140263 0.140263 0.352905 Ag\n0.042325 0.042325 0.452212 Ag\n0.943778 0.943778 0.553794 Ag\n0.402156 0.402156 0.599899 Ag\n0.850202 0.850202 0.650055 Ag\n0.750212 0.750212 0.749984 Ag\n0.299763 0.299763 0.700071 Ag\n0.198491 0.198491 0.800094 Ag\n0.104075 0.104075 0.897397 Ag\n0.646510 0.646510 0.849422 Ag\n0.553667 0.553667 0.949288 Ag\n0.828369 0.828369 0.922838 Ag\n0.272549 0.272549 0.973392 Ag\n0.449598 0.449598 0.049256 Bi\n0.353750 0.353750 0.146550 Bi\n0.805027 0.805027 0.199135 Bi\n0.696756 0.696756 0.303647 Bi\n0.244416 0.244416 0.250958 Bi\n0.601183 0.601183 0.401019 Bi\n0.501739 0.501739 0.501063 Bi\n0.365290 0.365290 0.012469 I\n0.810723 0.810723 0.062132 I\n0.086378 0.086378 0.037669 I\n0.263680 0.263680 0.111850 I\n0.532680 0.532680 0.089124 I\n0.711322 0.711322 0.161887 I\n0.989314 0.989314 0.137352 I\n0.160455 0.160455 0.213487 I\n0.446807 0.446807 0.186963 I\n0.603293 0.603293 0.262769 I\n0.888688 0.888688 0.236588 I\n0.061194 0.061194 0.312503 I\n0.339180 0.339180 0.288124 I\n0.517657 0.517657 0.360569 I\n0.787064 0.787064 0.337998 I\n0.963049 0.963049 0.411456 I\n0.240413 0.240413 0.387855 I\n0.418699 0.418699 0.460820 I\n0.684650 0.684650 0.437152 I\n0.863973 0.863973 0.512276 I\n0.140157 0.140157 0.487912 I\n0.323286 0.323286 0.564043 I\n0.584699 0.584699 0.537421 I\n0.773772 0.773772 0.614291 I\n0.030554 0.030554 0.589031 I\n0.223908 0.223908 0.663691 I\n0.474883 0.474883 0.636617 I\n0.674116 0.674116 0.713843 I\n0.925612 0.925612 0.686075 I\n0.124395 0.124395 0.763831 I\n0.376531 0.376531 0.736341 I\n0.571748 0.571748 0.811799 I\n0.825904 0.825904 0.786237 I\n0.025069 0.025069 0.861577 I\n0.274217 0.274217 0.836114 I\n0.462558 0.462558 0.914960 I\n0.729963 0.729963 0.888678 I\n0.904594 0.904594 0.963891 I\n0.188537 0.188537 0.937507 I\n0.633724 0.633724 0.986622 I\n",
"nsites": 62,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"I"
],
"chemical_system": "Ag-Bi-I",
"density": 5.55619472209692,
"density_atomic": 0.025432329866751226,
"volume": 2437.841925015893,
"volume_molar": 23.679076166250116,
"formula_full": "Ag15 Bi7 I40",
"formula_reduced": "Ag15Bi7I40",
"formula_anonymous": "A7B15C40",
"energy": -158.35717506,
"energy_per_atom": -2.5541479848387096,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.19717506,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.2252505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.112000Z",
"spacegroup": 8
},
{
"id": "mp-28965",
"created_at": "2022-09-04T14:42:42.584483Z",
"structure_string": "Ag1 Bi2 F12\n1.0\n-5.416455 0.000000 0.000000\n2.451757 5.199716 0.000000\n-0.217598 -2.364483 -8.914669\nAg Bi F\n1 2 12\ndirect\n0.500000 0.500000 0.500000 Ag\n0.275034 0.017531 0.772896 Bi\n0.724966 0.982469 0.227104 Bi\n0.768667 0.759228 0.372581 F\n0.231333 0.240772 0.627419 F\n0.319481 0.752376 0.222470 F\n0.316883 0.763085 0.876339 F\n0.683117 0.236915 0.123661 F\n0.864317 0.786818 0.708354 F\n0.135683 0.213182 0.291646 F\n0.314206 0.766984 0.566626 F\n0.685794 0.233016 0.433374 F\n0.200803 0.250511 0.952166 F\n0.799197 0.749489 0.047834 F\n0.680519 0.247624 0.777530 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"F"
],
"chemical_system": "Ag-Bi-F",
"density": 4.985525169080717,
"density_atomic": 0.05974358414748644,
"volume": 251.0729848910661,
"volume_molar": 10.07997904031569,
"formula_full": "Ag1 Bi2 F12",
"formula_reduced": "AgBi2F12",
"formula_anonymous": "AB2C12",
"energy": -63.77190761,
"energy_per_atom": -4.251460507333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.22790761,
"band_gap": 0.3971,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9931108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.323000Z",
"spacegroup": 2
},
{
"id": "mp-685586",
"created_at": "2022-09-04T14:45:55.050364Z",
"structure_string": "Ag6 Bi28 Br42\n1.0\n15.002858 0.000000 0.000000\n0.000000 13.022649 0.000000\n0.000000 4.355615 13.499308\nAg Bi Br\n6 28 42\ndirect\n0.841068 0.540920 0.617724 Ag\n0.158932 0.540920 0.617724 Ag\n0.347631 0.449922 0.390307 Ag\n0.652369 0.449922 0.390307 Ag\n0.336894 0.134027 0.378023 Ag\n0.663106 0.134027 0.378023 Ag\n0.000000 0.899619 0.930715 Bi\n0.814737 0.880681 0.612870 Bi\n0.185263 0.880681 0.612870 Bi\n0.824805 0.754522 0.970495 Bi\n0.175195 0.754522 0.970495 Bi\n0.000000 0.639653 0.919744 Bi\n0.324146 0.779498 0.393155 Bi\n0.675854 0.779498 0.393155 Bi\n0.892908 0.843668 0.140327 Bi\n0.107092 0.843668 0.140327 Bi\n0.500000 0.740630 0.024848 Bi\n0.000000 0.651637 0.282902 Bi\n0.397954 0.457659 0.859492 Bi\n0.602046 0.457659 0.859492 Bi\n0.105256 0.555235 0.136620 Bi\n0.894744 0.555235 0.136620 Bi\n0.500000 0.345785 0.720431 Bi\n0.000000 0.264540 0.979148 Bi\n0.396834 0.145212 0.856612 Bi\n0.603166 0.145212 0.856612 Bi\n0.174544 0.226293 0.599446 Bi\n0.825456 0.226293 0.599446 Bi\n0.500000 0.361811 0.086714 Bi\n0.339287 0.245091 0.027417 Bi\n0.660713 0.245091 0.027417 Bi\n0.871325 0.189375 0.176112 Bi\n0.128675 0.189375 0.176112 Bi\n0.500000 0.088344 0.071756 Bi\n0.777610 0.997975 0.748496 Br\n0.222390 0.997975 0.748496 Br\n0.500000 0.015078 0.748359 Br\n0.360562 0.908413 0.535532 Br\n0.639438 0.908413 0.535532 Br\n0.000000 0.851476 0.694433 Br\n0.500000 0.658351 0.749370 Br\n0.500000 0.819990 0.302169 Br\n0.858911 0.764248 0.465054 Br\n0.141089 0.764248 0.465054 Br\n0.361603 0.895634 0.019916 Br\n0.638397 0.895634 0.019916 Br\n0.777658 0.682687 0.752337 Br\n0.222342 0.682687 0.752337 Br\n0.277555 0.665426 0.261730 Br\n0.722445 0.665426 0.261730 Br\n0.000000 0.530865 0.705745 Br\n0.346630 0.574721 0.535882 Br\n0.653370 0.574721 0.535882 Br\n0.862686 0.429694 0.968520 Br\n0.137314 0.429694 0.968520 Br\n0.357882 0.588250 0.025298 Br\n0.642118 0.588250 0.025298 Br\n0.858293 0.424222 0.461932 Br\n0.141707 0.424222 0.461932 Br\n0.500000 0.472129 0.288101 Br\n0.781194 0.327238 0.742116 Br\n0.218806 0.327238 0.742116 Br\n0.748865 0.326058 0.243385 Br\n0.251135 0.326058 0.243385 Br\n0.863413 0.093619 0.990129 Br\n0.136587 0.093619 0.990129 Br\n0.353463 0.241548 0.528158 Br\n0.646537 0.241548 0.528158 Br\n0.000000 0.178000 0.697779 Br\n0.000000 0.295351 0.266871 Br\n0.500000 0.156791 0.286902 Br\n0.855367 0.090992 0.464507 Br\n0.144633 0.090992 0.464507 Br\n0.000000 0.014343 0.255202 Br\n0.270065 0.990864 0.254964 Br\n0.729935 0.990864 0.254964 Br\n",
"nsites": 76,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br",
"density": 6.204467438859882,
"density_atomic": 0.028815671999999515,
"volume": 2637.453674514385,
"volume_molar": 20.89883852092744,
"formula_full": "Ag6 Bi28 Br42",
"formula_reduced": "Ag3(Bi2Br3)7",
"formula_anonymous": "A3B14C21",
"energy": -251.87883291,
"energy_per_atom": -3.314195169868421,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -229.45083291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:16.135000Z",
"spacegroup": 6
},
{
"id": "mp-1120715",
"created_at": "2022-09-04T14:40:42.400015Z",
"structure_string": "Ag3 Bi1 Br6\n1.0\n0.000000 5.589855 5.589855\n5.589855 0.000000 5.589855\n5.589855 5.589855 0.000000\nAg Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746425 0.746425 0.253575 Br\n0.253575 0.746425 0.253575 Br\n0.746425 0.253575 0.253575 Br\n0.253575 0.253575 0.746425 Br\n0.746425 0.253575 0.746425 Br\n0.253575 0.746425 0.746425 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"Bi",
"Br"
],
"chemical_system": "Ag-Bi-Br",
"density": 4.810628823628253,
"density_atomic": 0.028626508193122853,
"volume": 349.3265728581724,
"volume_molar": 21.0369379296031,
"formula_full": "Ag3 Bi1 Br6",
"formula_reduced": "Ag3BiBr6",
"formula_anonymous": "AB3C6",
"energy": -27.16144356,
"energy_per_atom": -2.716144356,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.95744356,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041485,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.790000Z",
"spacegroup": 225
},
{
"id": "mp-1229225",
"created_at": "2022-09-04T14:47:39.407383Z",
"structure_string": "Ag10 B2 S8\n1.0\n0.000000 5.795921 5.795921\n5.795921 0.000000 5.795921\n5.795921 5.795921 0.000000\nAg B S\n10 2 8\ndirect\n0.221330 0.221330 0.778670 Ag\n0.778670 0.778670 0.221330 Ag\n0.221330 0.778670 0.221330 Ag\n0.778670 0.221330 0.778670 Ag\n0.778670 0.221330 0.221330 Ag\n0.221330 0.778670 0.778670 Ag\n0.508442 0.163853 0.163853 Ag\n0.163853 0.508442 0.163853 Ag\n0.163853 0.163853 0.508442 Ag\n0.163853 0.163853 0.163853 Ag\n0.750000 0.750000 0.750000 B\n0.500000 0.500000 0.500000 B\n0.452617 0.849128 0.849128 S\n0.849128 0.452617 0.849128 S\n0.849128 0.849128 0.452617 S\n0.849128 0.849128 0.849128 S\n0.796796 0.401068 0.401068 S\n0.401068 0.796796 0.401068 S\n0.401068 0.401068 0.796796 S\n0.401068 0.401068 0.401068 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"B",
"S"
],
"chemical_system": "Ag-B-S",
"density": 5.78595760142882,
"density_atomic": 0.051360900336724025,
"volume": 389.401273515052,
"volume_molar": 11.725146406154517,
"formula_full": "Ag10 B2 S8",
"formula_reduced": "Ag5BS4",
"formula_anonymous": "AB4C5",
"energy": -76.98914872,
"energy_per_atom": -3.8494574360000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.96514872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.8500819,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:20.556000Z",
"spacegroup": 216
},
{
"id": "mp-985292",
"created_at": "2022-09-04T14:46:22.083719Z",
"structure_string": "Ag1 B1 O3\n1.0\n3.483287 0.000000 0.000000\n0.000000 3.483287 0.000000\n0.000000 0.000000 3.483287\nAg B O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 B\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": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.548744367105115,
"density_atomic": 0.11830476235408299,
"volume": 42.26372548752631,
"volume_molar": 5.090362078557661,
"formula_full": "Ag1 B1 O3",
"formula_reduced": "AgBO3",
"formula_anonymous": "ABC3",
"energy": -27.09928241,
"energy_per_atom": -5.419856482,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.03828241,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9870728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.916000Z",
"spacegroup": 221
},
{
"id": "mp-27816",
"created_at": "2022-09-04T14:47:07.601558Z",
"structure_string": "Ag3 B1 O3\n1.0\n3.132063 -5.070279 0.000000\n3.132063 5.070279 0.000000\n-5.075861 0.000000 3.123008\nAg B O\n3 1 3\ndirect\n0.000000 0.509386 0.490614 Ag\n0.490614 0.000000 0.509386 Ag\n0.509386 0.490614 0.000000 Ag\n0.000000 0.000000 0.000000 B\n0.863468 0.000000 0.136532 O\n0.136532 0.863468 0.000000 O\n0.000000 0.136532 0.863468 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ag",
"B",
"O"
],
"chemical_system": "Ag-B-O",
"density": 6.402022767932245,
"density_atomic": 0.0705720284921081,
"volume": 99.18944020126604,
"volume_molar": 8.533325297108954,
"formula_full": "Ag3 B1 O3",
"formula_reduced": "Ag3BO3",
"formula_anonymous": "AB3C3",
"energy": -38.0952333,
"energy_per_atom": -5.442176185714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.0342333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006357,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.615000Z",
"spacegroup": 155
}
]
}