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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=11532",
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"results": [
{
"id": "mp-1233899",
"created_at": "2022-09-04T14:46:39.143011Z",
"structure_string": "Mg1 Tl2 Pb16 Br18 O8\n1.0\n8.482053 0.032710 0.120161\n0.047323 12.601601 -0.043934\n0.182672 -0.042653 12.800738\nMg Tl Pb Br O\n1 2 16 18 8\ndirect\n0.809280 0.363988 0.906567 Mg\n0.661889 0.756822 0.749122 Tl\n0.330234 0.253255 0.248472 Tl\n0.874711 0.285261 0.113463 Pb\n0.355272 0.186960 0.610626 Pb\n0.188507 0.671132 0.018813 Pb\n0.626642 0.393035 0.667336 Pb\n0.653754 0.128627 0.797485 Pb\n0.643161 0.805848 0.382901 Pb\n0.171317 0.832640 0.475567 Pb\n0.822443 0.979039 0.164041 Pb\n0.362836 0.610501 0.301295 Pb\n0.165891 0.479466 0.649607 Pb\n0.818894 0.162119 0.504450 Pb\n0.358111 0.885276 0.195433 Pb\n0.354914 0.317252 0.873325 Pb\n0.187233 0.022653 0.835039 Pb\n0.654503 0.691333 0.113604 Pb\n0.825941 0.517646 0.330812 Pb\n0.890891 0.866916 0.961946 Br\n0.142694 0.127358 0.044810 Br\n0.115901 0.468133 0.134984 Br\n0.584633 0.437464 0.128333 Br\n0.397917 0.572464 0.859134 Br\n0.396240 0.626893 0.558729 Br\n0.110284 0.361573 0.455024 Br\n0.118338 0.035546 0.367255 Br\n0.592272 0.066195 0.366913 Br\n0.003442 0.754069 0.249171 Br\n0.872433 0.965148 0.626466 Br\n0.381273 0.927501 0.631029 Br\n0.892208 0.551634 0.849773 Br\n0.598041 0.367479 0.421602 Br\n0.399490 0.872706 0.932041 Br\n0.879890 0.630997 0.531146 Br\n0.604524 0.124521 0.061059 Br\n0.994365 0.257232 0.752025 Br\n0.625589 0.205794 0.629671 O\n0.376404 0.145638 0.791131 O\n0.380447 0.702866 0.139057 O\n0.633401 0.642293 0.293764 O\n0.630189 0.856332 0.202583 O\n0.362328 0.358827 0.689981 O\n0.622344 0.311819 0.836545 O\n0.372678 0.794749 0.355162 O\n",
"nsites": 45,
"nelements": 5,
"elements": [
"Mg",
"Tl",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-Pb-Tl",
"density": 6.451374726027132,
"density_atomic": 0.03289653096347809,
"volume": 1367.9253915848833,
"volume_molar": 18.30630946067175,
"formula_full": "Mg1 Tl2 Pb16 Br18 O8",
"formula_reduced": "MgTl2Pb16(Br9O4)2",
"formula_anonymous": "AB2C8D16E18",
"energy": -186.82989559,
"energy_per_atom": -4.151775457555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.33389559,
"band_gap": 1.0173,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.423000Z",
"spacegroup": 1
},
{
"id": "mp-1234249",
"created_at": "2022-09-04T14:43:56.006254Z",
"structure_string": "Mg1 Tl2 Pb16 Br18 O8\n1.0\n8.465128 -0.047545 0.028543\n-0.072739 12.628872 -0.231361\n0.044962 -0.233574 12.957983\nMg Tl Pb Br O\n1 2 16 18 8\ndirect\n0.099149 0.580940 0.464084 Mg\n0.654797 0.764783 0.755587 Tl\n0.345122 0.237870 0.247060 Tl\n0.826034 0.331399 0.977583 Pb\n0.353832 0.185656 0.621971 Pb\n0.172415 0.673616 0.019803 Pb\n0.645586 0.382288 0.697486 Pb\n0.647615 0.109558 0.801299 Pb\n0.660062 0.810011 0.372746 Pb\n0.183501 0.832413 0.460389 Pb\n0.831583 0.982925 0.156824 Pb\n0.354838 0.614294 0.289568 Pb\n0.176773 0.470574 0.702390 Pb\n0.818738 0.161394 0.520597 Pb\n0.364757 0.891245 0.193631 Pb\n0.366793 0.300009 0.893567 Pb\n0.178116 0.015266 0.833638 Pb\n0.649198 0.695025 0.108984 Pb\n0.818589 0.511398 0.310792 Pb\n0.878203 0.870910 0.950917 Br\n0.118727 0.136819 0.033359 Br\n0.106341 0.473440 0.138024 Br\n0.595678 0.432554 0.120487 Br\n0.395244 0.566295 0.871128 Br\n0.366602 0.620628 0.573378 Br\n0.118885 0.373277 0.477201 Br\n0.107333 0.047625 0.354564 Br\n0.601156 0.068660 0.367706 Br\n0.005147 0.779931 0.220513 Br\n0.885121 0.963197 0.627733 Br\n0.394908 0.926558 0.635434 Br\n0.883293 0.535188 0.875613 Br\n0.612658 0.367897 0.436193 Br\n0.386223 0.870384 0.936351 Br\n0.859450 0.621282 0.581119 Br\n0.601774 0.135122 0.063737 Br\n0.002703 0.248404 0.752591 Br\n0.626034 0.198017 0.644050 O\n0.374607 0.137900 0.798460 O\n0.373172 0.708030 0.136723 O\n0.650174 0.646676 0.284335 O\n0.635592 0.861000 0.198121 O\n0.374711 0.351080 0.715104 O\n0.634741 0.293417 0.856401 O\n0.389027 0.798381 0.349842 O\n",
"nsites": 45,
"nelements": 5,
"elements": [
"Mg",
"Tl",
"Pb",
"Br",
"O"
],
"chemical_system": "Br-Mg-O-Pb-Tl",
"density": 6.372963811318725,
"density_atomic": 0.03249670190484763,
"volume": 1384.7559094385272,
"volume_molar": 18.531544455290273,
"formula_full": "Mg1 Tl2 Pb16 Br18 O8",
"formula_reduced": "MgTl2Pb16(Br9O4)2",
"formula_anonymous": "AB2C8D16E18",
"energy": -185.66073152,
"energy_per_atom": -4.125794033777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -180.16473152,
"band_gap": 0.8283,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:25.538000Z",
"spacegroup": 1
},
{
"id": "mp-1233086",
"created_at": "2022-09-04T14:39:42.346386Z",
"structure_string": "Mg1 Tl4 V4 Te4 O20\n1.0\n7.295558 0.358151 -0.232576\n0.381830 8.104440 -0.257325\n-0.278960 -0.296146 9.295869\nMg Tl V Te O\n1 4 4 4 20\ndirect\n0.843587 0.845064 0.025070 Mg\n0.067199 0.947779 0.831719 Tl\n0.525015 0.917286 0.610163 Tl\n0.524317 0.404864 0.392304 Tl\n0.029180 0.411317 0.097103 Tl\n0.265533 0.780515 0.257201 V\n0.240095 0.283573 0.740464 V\n0.769185 0.761613 0.286143 V\n0.724495 0.317984 0.746596 V\n0.976310 0.092267 0.460954 Te\n0.037956 0.592358 0.533387 Te\n0.494105 0.590485 0.970189 Te\n0.496305 0.063467 0.058554 Te\n0.943686 0.263528 0.818748 O\n0.150081 0.057483 0.622500 O\n0.018835 0.758177 0.179747 O\n0.868844 0.547832 0.374217 O\n0.234179 0.975101 0.342293 O\n0.544038 0.753069 0.330008 O\n0.893434 0.868271 0.458925 O\n0.222568 0.476154 0.825634 O\n0.460829 0.263256 0.678522 O\n0.614142 0.366677 0.930341 O\n0.285281 0.143316 0.887320 O\n0.362663 0.551293 0.131445 O\n0.720669 0.647594 0.077465 O\n0.356269 0.874001 0.068107 O\n0.764801 0.166512 0.579737 O\n0.728588 0.505704 0.684038 O\n0.645734 0.975003 0.906445 O\n0.715721 0.980280 0.190234 O\n0.238765 0.632947 0.421731 O\n0.112591 0.358224 0.554126 O\n",
"nsites": 33,
"nelements": 5,
"elements": [
"Mg",
"Tl",
"V",
"Te",
"O"
],
"chemical_system": "Mg-O-Te-Tl-V",
"density": 5.6915502200575885,
"density_atomic": 0.06029265191657724,
"volume": 547.3303785950535,
"volume_molar": 9.988183582192434,
"formula_full": "Mg1 Tl4 V4 Te4 O20",
"formula_reduced": "MgTl4V4(TeO5)4",
"formula_anonymous": "AB4C4D4E20",
"energy": -219.78331974,
"energy_per_atom": -6.660100598181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.24331974,
"band_gap": 1.8105,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.987000Z",
"spacegroup": 1
},
{
"id": "mp-1234173",
"created_at": "2022-09-04T14:40:33.480235Z",
"structure_string": "Mg1 Tl4 V4 Te4 O20\n1.0\n7.235187 -0.014280 0.057542\n-0.015978 7.829064 0.169138\n0.071113 0.185075 9.179891\nMg Tl V Te O\n1 4 4 4 20\ndirect\n0.083698 0.018672 0.102372 Mg\n0.927759 0.865853 0.825282 Tl\n0.473939 0.904745 0.610039 Tl\n0.509237 0.395251 0.420933 Tl\n0.012895 0.435372 0.110206 Tl\n0.301882 0.780571 0.248136 V\n0.195499 0.295449 0.770145 V\n0.801086 0.792963 0.251185 V\n0.705936 0.283207 0.755858 V\n0.984692 0.106924 0.474160 Te\n0.011805 0.599783 0.531241 Te\n0.520519 0.599331 0.979448 Te\n0.500835 0.097799 0.039317 Te\n0.954481 0.231356 0.826598 O\n0.135426 0.021606 0.624401 O\n0.059300 0.760897 0.162974 O\n0.866085 0.552686 0.366853 O\n0.260614 0.000798 0.276131 O\n0.571786 0.784745 0.309957 O\n0.902027 0.866883 0.434454 O\n0.210521 0.494418 0.831830 O\n0.422341 0.255682 0.702645 O\n0.609345 0.360783 0.959949 O\n0.253054 0.154832 0.959681 O\n0.374986 0.548147 0.150003 O\n0.745131 0.658994 0.080255 O\n0.401970 0.858545 0.044744 O\n0.758203 0.143222 0.581084 O\n0.726196 0.487281 0.681784 O\n0.629771 0.049007 0.865222 O\n0.817549 0.001198 0.168456 O\n0.243257 0.654311 0.429590 O\n0.099603 0.361686 0.567925 O\n",
"nsites": 33,
"nelements": 5,
"elements": [
"Mg",
"Tl",
"V",
"Te",
"O"
],
"chemical_system": "Mg-O-Te-Tl-V",
"density": 5.993782817483048,
"density_atomic": 0.06349431123431437,
"volume": 519.7316004928286,
"volume_molar": 9.484535926023938,
"formula_full": "Mg1 Tl4 V4 Te4 O20",
"formula_reduced": "MgTl4V4(TeO5)4",
"formula_anonymous": "AB4C4D4E20",
"energy": -219.71246885,
"energy_per_atom": -6.6579536015151515,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.17246885,
"band_gap": 1.3607999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.292000Z",
"spacegroup": 1
},
{
"id": "mp-1234310",
"created_at": "2022-09-04T14:47:01.286027Z",
"structure_string": "Mg1 Tl4 V4 Te4 O20\n1.0\n7.094754 -0.063771 -0.043489\n-0.089954 8.170060 0.007861\n-0.048378 0.012952 9.177503\nMg Tl V Te O\n1 4 4 4 20\ndirect\n0.400516 0.096248 0.526472 Mg\n0.986233 0.920844 0.891856 Tl\n0.552561 0.756982 0.597274 Tl\n0.524674 0.426696 0.347250 Tl\n0.001727 0.417355 0.097020 Tl\n0.309910 0.800375 0.254078 V\n0.178420 0.304555 0.759663 V\n0.802145 0.799084 0.232124 V\n0.675869 0.295752 0.739767 V\n0.944380 0.095689 0.463310 Te\n0.020964 0.589557 0.519796 Te\n0.507853 0.608667 0.961356 Te\n0.475864 0.107709 0.027061 Te\n0.935871 0.263601 0.800482 O\n0.128552 0.050372 0.609277 O\n0.052479 0.785330 0.189780 O\n0.873724 0.543425 0.353050 O\n0.326819 0.992545 0.338397 O\n0.573241 0.739284 0.313817 O\n0.877318 0.866546 0.439541 O\n0.212098 0.497943 0.820832 O\n0.410927 0.264152 0.675887 O\n0.596840 0.387058 0.939806 O\n0.242184 0.170625 0.926173 O\n0.354592 0.568959 0.125797 O\n0.743393 0.669700 0.061680 O\n0.385522 0.883674 0.049673 O\n0.710852 0.137715 0.566187 O\n0.703643 0.486756 0.658391 O\n0.621396 0.072138 0.860201 O\n0.761683 0.991793 0.173366 O\n0.254070 0.650458 0.422457 O\n0.094750 0.364742 0.551036 O\n",
"nsites": 33,
"nelements": 5,
"elements": [
"Mg",
"Tl",
"V",
"Te",
"O"
],
"chemical_system": "Mg-O-Te-Tl-V",
"density": 5.856667228211519,
"density_atomic": 0.0620417961590453,
"volume": 531.8994942603513,
"volume_molar": 9.706586741238326,
"formula_full": "Mg1 Tl4 V4 Te4 O20",
"formula_reduced": "MgTl4V4(TeO5)4",
"formula_anonymous": "AB4C4D4E20",
"energy": -220.07515859,
"energy_per_atom": -6.66894419969697,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -199.53515859,
"band_gap": 1.5946999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.943000Z",
"spacegroup": 1
},
{
"id": "mp-1211200",
"created_at": "2022-09-04T14:43:38.959689Z",
"structure_string": "Mg2 U4 P4 H40 O44\n1.0\n19.982675 0.000000 0.000000\n0.000000 7.019492 0.000000\n0.000000 6.917556 7.027715\nMg U P H O\n2 4 4 40 44\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.707001 0.528199 0.019387 U\n0.292999 0.471801 0.980613 U\n0.207001 0.471801 0.480613 U\n0.792999 0.528199 0.519387 U\n0.250560 0.972590 0.476719 P\n0.749440 0.027410 0.523281 P\n0.750560 0.027410 0.023281 P\n0.249440 0.972590 0.976719 P\n0.557000 0.827084 0.143458 H\n0.443000 0.172916 0.856542 H\n0.057000 0.172916 0.356542 H\n0.943000 0.827084 0.643458 H\n0.535207 0.446488 0.138958 H\n0.464793 0.553512 0.861042 H\n0.035207 0.553512 0.361042 H\n0.964793 0.446488 0.638958 H\n0.425019 0.639084 0.547549 H\n0.574981 0.360916 0.452451 H\n0.925019 0.360916 0.952451 H\n0.074981 0.639084 0.047549 H\n0.388198 0.918356 0.386810 H\n0.611802 0.081644 0.613190 H\n0.888198 0.081644 0.113190 H\n0.111802 0.918356 0.886810 H\n0.383370 0.759052 0.110489 H\n0.616630 0.240948 0.889511 H\n0.883370 0.240948 0.389511 H\n0.116630 0.759052 0.610489 H\n0.581323 0.835851 0.366261 H\n0.418677 0.164149 0.633739 H\n0.081323 0.164149 0.133739 H\n0.918677 0.835851 0.866261 H\n0.971347 0.477037 0.307054 H\n0.028653 0.522963 0.692946 H\n0.471347 0.522963 0.192946 H\n0.528653 0.477037 0.807054 H\n0.421782 0.753282 0.251745 H\n0.578218 0.246718 0.748255 H\n0.921782 0.246718 0.248255 H\n0.078218 0.753282 0.751745 H\n0.629665 0.735877 0.212453 H\n0.370335 0.264123 0.787547 H\n0.129665 0.264123 0.287547 H\n0.870335 0.735877 0.712453 H\n0.625496 0.975124 0.410628 H\n0.374504 0.024876 0.589372 H\n0.125496 0.024876 0.089372 H\n0.874504 0.975124 0.910628 H\n0.797827 0.899553 0.194224 O\n0.202173 0.100447 0.805776 O\n0.297827 0.100447 0.305776 O\n0.702173 0.899553 0.694224 O\n0.616040 0.530682 0.025078 O\n0.383960 0.469318 0.974922 O\n0.116040 0.469318 0.474922 O\n0.883960 0.530682 0.525078 O\n0.797734 0.523801 0.015082 O\n0.202266 0.476199 0.984918 O\n0.297734 0.476199 0.484918 O\n0.702266 0.523801 0.515082 O\n0.584121 0.715027 0.260004 O\n0.415879 0.284973 0.739996 O\n0.084121 0.284973 0.239996 O\n0.915879 0.715027 0.760004 O\n0.428258 0.776349 0.142150 O\n0.571742 0.223651 0.857850 O\n0.928258 0.223651 0.357850 O\n0.071742 0.776349 0.642150 O\n0.432484 0.831466 0.430601 O\n0.567516 0.168534 0.569399 O\n0.932484 0.168534 0.069399 O\n0.067516 0.831466 0.930601 O\n0.298175 0.768052 0.012491 O\n0.701825 0.231948 0.987509 O\n0.798175 0.231948 0.487509 O\n0.201825 0.768052 0.512491 O\n0.581030 0.897300 0.431300 O\n0.418970 0.102700 0.568700 O\n0.081030 0.102700 0.068700 O\n0.918970 0.897300 0.931300 O\n0.996879 0.626965 0.274038 O\n0.003121 0.373035 0.725962 O\n0.496879 0.373035 0.225962 O\n0.503121 0.626965 0.774038 O\n0.204330 0.833037 0.153316 O\n0.795670 0.166963 0.846684 O\n0.704330 0.166963 0.346684 O\n0.295670 0.833037 0.653316 O\n0.706782 0.807973 0.065383 O\n0.293218 0.192027 0.934617 O\n0.206782 0.192027 0.434617 O\n0.793218 0.807973 0.565383 O\n",
"nsites": 94,
"nelements": 5,
"elements": [
"Mg",
"U",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P-U",
"density": 3.1482156583405807,
"density_atomic": 0.09535740067634467,
"volume": 985.7651250273499,
"volume_molar": 6.315336531078404,
"formula_full": "Mg2 U4 P4 H40 O44",
"formula_reduced": "MgU2P2(H10O11)2",
"formula_anonymous": "AB2C2D20E22",
"energy": -609.9523645999999,
"energy_per_atom": -6.48885494255319,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -579.7243646,
"band_gap": 2.4364,
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"total_magnetization": 0.0009953,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.949000Z",
"spacegroup": 14
},
{
"id": "mp-1211032",
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{
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}