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{
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"results": [
{
"id": "mp-560010",
"created_at": "2022-09-04T14:41:27.955764Z",
"structure_string": "Rb8 Ga8 B8 O28\n1.0\n7.867209 0.000000 0.000000\n0.000000 8.927484 0.000000\n0.000000 3.037732 11.782341\nRb Ga B O\n8 8 8 28\ndirect\n0.372110 0.466951 0.126966 Rb\n0.374511 0.946704 0.651363 Rb\n0.625489 0.053296 0.348637 Rb\n0.874511 0.053296 0.848637 Rb\n0.872110 0.533049 0.373034 Rb\n0.127890 0.466951 0.626966 Rb\n0.125489 0.946704 0.151363 Rb\n0.627890 0.533049 0.873034 Rb\n0.568973 0.314669 0.633360 Ga\n0.121520 0.154393 0.385662 Ga\n0.621520 0.845607 0.114338 Ga\n0.378480 0.154393 0.885662 Ga\n0.068973 0.685331 0.866640 Ga\n0.878480 0.845607 0.614338 Ga\n0.931027 0.314669 0.133360 Ga\n0.431027 0.685331 0.366640 Ga\n0.092167 0.345465 0.912977 B\n0.629388 0.184876 0.060826 B\n0.407833 0.345465 0.412977 B\n0.370612 0.815124 0.939174 B\n0.870612 0.184876 0.560826 B\n0.907833 0.654535 0.087023 B\n0.592167 0.654535 0.587023 B\n0.129388 0.815124 0.439174 B\n0.991072 0.516187 0.134120 O\n0.806926 0.716073 0.158422 O\n0.008928 0.483813 0.865880 O\n0.214153 0.955080 0.418630 O\n0.027732 0.212795 0.509207 O\n0.534238 0.176265 0.770721 O\n0.491072 0.483813 0.365880 O\n0.527732 0.787205 0.990793 O\n0.201479 0.690853 0.405733 O\n0.508928 0.516187 0.634120 O\n0.714153 0.044920 0.081370 O\n0.798521 0.309147 0.594267 O\n0.193074 0.283927 0.841578 O\n0.965762 0.176265 0.270721 O\n0.306926 0.283927 0.341578 O\n0.472268 0.212795 0.009207 O\n0.432282 0.260657 0.523429 O\n0.298521 0.690853 0.905733 O\n0.972268 0.787205 0.490793 O\n0.693074 0.716073 0.658422 O\n0.567718 0.739343 0.476571 O\n0.465762 0.823735 0.229279 O\n0.285847 0.955080 0.918630 O\n0.067718 0.260657 0.023429 O\n0.701479 0.309147 0.094267 O\n0.785847 0.044920 0.581370 O\n0.932282 0.739343 0.976571 O\n0.034238 0.823735 0.729279 O\n",
"nsites": 52,
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"elements": [
"Rb",
"Ga",
"B",
"O"
],
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"density_atomic": 0.0628379469945558,
"volume": 827.5254442113651,
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"formula_full": "Rb8 Ga8 B8 O28",
"formula_reduced": "Rb2Ga2B2O7",
"formula_anonymous": "A2B2C2D7",
"energy": -355.22521806,
"energy_per_atom": -6.831254193461538,
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"updated_at": "2021-11-28T01:35:20.635000Z",
"spacegroup": 14
},
{
"id": "mp-1250887",
"created_at": "2022-09-04T14:47:06.344706Z",
"structure_string": "Mg6 Mn4 Si8 O28\n1.0\n3.823752 8.538257 0.000000\n-3.823752 8.538257 0.000000\n0.000000 5.622300 8.208306\nMg Mn Si O\n6 4 8 28\ndirect\n0.073976 0.262553 0.111298 Mg\n0.737447 0.926024 0.388702 Mg\n0.262553 0.073976 0.611298 Mg\n0.391386 0.608614 0.750000 Mg\n0.926024 0.737447 0.888702 Mg\n0.608614 0.391386 0.250000 Mg\n0.787363 0.212637 0.750000 Mn\n0.212637 0.787363 0.250000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.548472 0.080276 0.705323 Si\n0.080276 0.548472 0.205323 Si\n0.512625 0.249430 0.106286 Si\n0.249430 0.512625 0.606286 Si\n0.919724 0.451528 0.794677 Si\n0.487375 0.750570 0.893714 Si\n0.750570 0.487375 0.393714 Si\n0.451528 0.919724 0.294677 Si\n0.828931 0.316706 0.319303 O\n0.967818 0.888494 0.412677 O\n0.456942 0.634028 0.087468 O\n0.888494 0.967818 0.912677 O\n0.230747 0.992380 0.307209 O\n0.072738 0.500451 0.624032 O\n0.634028 0.456942 0.587468 O\n0.007620 0.769253 0.192791 O\n0.927262 0.499549 0.375968 O\n0.614565 0.693807 0.270496 O\n0.032182 0.111506 0.587323 O\n0.769253 0.007620 0.692791 O\n0.499549 0.927262 0.875968 O\n0.316706 0.828931 0.819303 O\n0.693807 0.614565 0.770496 O\n0.992380 0.230747 0.807209 O\n0.919189 0.481358 0.941453 O\n0.385435 0.306193 0.729504 O\n0.518642 0.080811 0.558547 O\n0.306193 0.385435 0.229504 O\n0.500451 0.072738 0.124032 O\n0.111506 0.032182 0.087323 O\n0.481358 0.919189 0.441453 O\n0.543058 0.365972 0.912532 O\n0.080811 0.518642 0.058547 O\n0.365972 0.543058 0.412532 O\n0.683294 0.171069 0.180697 O\n0.171069 0.683294 0.680697 O\n",
"nsites": 46,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Mg-Mn-O-Si",
"density": 3.216683297208781,
"density_atomic": 0.08582530545118354,
"volume": 535.9724589173094,
"volume_molar": 7.016742589311639,
"formula_full": "Mg6 Mn4 Si8 O28",
"formula_reduced": "Mg3Mn2(Si2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -361.8860922,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:52.649000Z",
"spacegroup": 15
},
{
"id": "mp-758470",
"created_at": "2022-09-04T14:43:14.392774Z",
"structure_string": "Li2 Fe4 P10 O32\n1.0\n9.448663 0.000000 0.000000\n0.000000 7.555366 0.000000\n0.000000 3.824967 9.622250\nLi Fe P O\n2 4 10 32\ndirect\n0.799960 0.998347 0.752704 Li\n0.200040 0.998347 0.252704 Li\n0.140732 0.378231 0.466007 Fe\n0.369464 0.934218 0.858688 Fe\n0.630536 0.934218 0.358688 Fe\n0.859268 0.378231 0.966007 Fe\n0.861504 0.619771 0.369858 P\n0.294920 0.573143 0.126447 P\n0.874239 0.282024 0.300324 P\n0.416622 0.123538 0.524385 P\n0.583378 0.123538 0.024385 P\n0.138496 0.619771 0.869858 P\n0.541760 0.518879 0.987417 P\n0.705080 0.573143 0.626447 P\n0.458240 0.518879 0.487417 P\n0.125761 0.282024 0.800324 P\n0.297556 0.788268 0.067244 O\n0.819774 0.498124 0.279732 O\n0.065247 0.296825 0.659802 O\n0.231679 0.473844 0.266673 O\n0.494324 0.332394 0.455422 O\n0.452259 0.486557 0.128903 O\n0.697900 0.520982 0.018717 O\n0.213673 0.499115 0.017575 O\n0.534202 0.011385 0.938229 O\n0.988868 0.231849 0.412586 O\n0.256885 0.151097 0.506035 O\n0.464727 0.046424 0.675385 O\n0.934753 0.296825 0.159802 O\n0.744371 0.157036 0.347867 O\n0.465798 0.011385 0.438229 O\n0.200301 0.815625 0.802889 O\n0.743115 0.151097 0.006035 O\n0.480437 0.688293 0.873185 O\n0.535273 0.046424 0.175385 O\n0.702444 0.788268 0.567244 O\n0.979504 0.618378 0.893366 O\n0.799699 0.815625 0.302889 O\n0.180226 0.498124 0.779732 O\n0.519563 0.688293 0.373185 O\n0.768321 0.473844 0.766673 O\n0.505676 0.332394 0.955422 O\n0.020496 0.618378 0.393366 O\n0.547741 0.486557 0.628903 O\n0.302100 0.520982 0.518717 O\n0.786327 0.499115 0.517575 O\n0.011132 0.231849 0.912586 O\n0.255629 0.157036 0.847867 O\n",
"nsites": 48,
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"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.5599679285145616,
"density_atomic": 0.06987772126821191,
"volume": 686.9142142709752,
"volume_molar": 8.618112684134612,
"formula_full": "Li2 Fe4 P10 O32",
"formula_reduced": "LiFe2P5O16",
"formula_anonymous": "AB2C5D16",
"energy": -366.97346501,
"energy_per_atom": -7.645280521041666,
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"updated_at": "2021-11-28T01:36:07.922000Z",
"spacegroup": 7
},
{
"id": "mp-1217051",
"created_at": "2022-09-04T14:43:40.834044Z",
"structure_string": "Tm4 Fe34 C3\n1.0\n4.305205 2.470163 4.124735\n-4.276318 2.429260 4.119264\n-0.041808 -9.836648 8.266485\nTm Fe C\n4 34 3\ndirect\n0.663569 0.655053 0.327940 Tm\n0.661233 0.660790 0.826610 Tm\n0.336431 0.344947 0.172060 Tm\n0.338767 0.339210 0.673390 Tm\n0.341963 0.345428 0.426276 Fe\n0.343912 0.342918 0.923913 Fe\n0.342573 0.850560 0.172260 Fe\n0.344288 0.848934 0.673133 Fe\n0.852272 0.344842 0.172763 Fe\n0.848079 0.344851 0.673007 Fe\n0.658037 0.654572 0.073724 Fe\n0.656088 0.657082 0.576087 Fe\n0.657427 0.149440 0.327740 Fe\n0.655712 0.151066 0.826867 Fe\n0.147728 0.655158 0.327237 Fe\n0.151921 0.655149 0.826993 Fe\n0.901697 0.903764 0.452525 Fe\n0.905316 0.904253 0.950400 Fe\n0.098303 0.096236 0.047475 Fe\n0.094684 0.095747 0.549600 Fe\n0.000000 0.000000 0.250000 Fe\n0.000000 0.000000 0.750000 Fe\n0.998791 0.499952 0.500466 Fe\n0.001209 0.500048 0.999534 Fe\n0.500584 0.997478 0.998929 Fe\n0.499416 0.002522 0.501071 Fe\n0.284383 0.715664 0.500220 Fe\n0.284202 0.715827 0.999890 Fe\n0.715880 0.999322 0.141853 Fe\n0.707487 0.000167 0.647399 Fe\n0.001340 0.291845 0.354366 Fe\n0.999236 0.292966 0.852989 Fe\n0.284120 0.000678 0.358147 Fe\n0.292513 0.999833 0.852601 Fe\n0.998660 0.708155 0.145634 Fe\n0.000764 0.707034 0.647011 Fe\n0.715617 0.284336 0.999780 Fe\n0.715798 0.284173 0.500110 Fe\n0.498970 0.499106 0.999484 C\n0.501030 0.500894 0.500516 C\n0.500000 0.000000 0.250000 C\n",
"nsites": 41,
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"elements": [
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],
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"formula_full": "Tm4 Fe34 C3",
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"updated_at": "2021-11-28T01:36:19.138000Z",
"spacegroup": 2
},
{
"id": "mp-32123",
"created_at": "2022-09-04T14:45:25.431304Z",
"structure_string": "Li4 Mo8 P4 O32\n1.0\n6.727287 0.000000 -0.053204\n0.000000 5.248588 0.000000\n0.143843 0.000000 17.726567\nLi Mo P O\n4 8 4 32\ndirect\n0.239693 0.241069 0.790995 Li\n0.265024 0.292265 0.291190 Li\n0.734977 0.792264 0.708810 Li\n0.760306 0.741070 0.209005 Li\n0.156097 0.261298 0.451529 Mo\n0.343549 0.275379 0.951751 Mo\n0.499197 0.269069 0.624865 Mo\n0.000525 0.267247 0.125302 Mo\n0.500804 0.769069 0.375135 Mo\n0.656451 0.775380 0.048249 Mo\n0.843902 0.761299 0.548471 Mo\n0.999474 0.767248 0.874698 Mo\n0.794002 0.251013 0.307905 P\n0.705824 0.284892 0.807645 P\n0.294177 0.784891 0.192355 P\n0.205997 0.751012 0.692095 P\n0.157885 0.257285 0.043386 O\n0.959311 0.472089 0.510174 O\n0.841639 0.353530 0.227704 O\n0.848186 0.967163 0.116711 O\n0.862313 0.112072 0.842655 O\n0.842116 0.757284 0.956615 O\n0.787432 0.475933 0.082494 O\n0.787474 0.564684 0.802406 O\n0.993808 0.255824 0.351640 O\n0.040690 0.972088 0.489826 O\n0.158360 0.853530 0.772296 O\n0.151813 0.467162 0.883289 O\n0.137686 0.612073 0.157345 O\n0.006192 0.755823 0.648360 O\n0.212568 0.975934 0.917506 O\n0.212527 0.064685 0.197594 O\n0.361653 0.923411 0.656294 O\n0.287731 0.471201 0.697297 O\n0.286796 0.561416 0.417443 O\n0.348469 0.069690 0.383573 O\n0.638348 0.423412 0.343706 O\n0.344153 0.682795 0.272408 O\n0.459915 0.564835 0.989548 O\n0.507014 0.279619 0.852007 O\n0.492985 0.779618 0.147993 O\n0.540086 0.064834 0.010452 O\n0.655847 0.182794 0.727592 O\n0.657699 0.781023 0.457035 O\n0.651530 0.569689 0.616427 O\n0.713204 0.061415 0.582557 O\n0.712270 0.971201 0.302703 O\n0.342300 0.281022 0.542965 O\n",
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],
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"formula_full": "Li4 Mo8 P4 O32",
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"formula_anonymous": "ABC2D8",
"energy": -383.56296047,
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"spacegroup": 19
},
{
"id": "mp-732343",
"created_at": "2022-09-04T14:40:05.504112Z",
"structure_string": "Cr4 As12 O38\n1.0\n0.000000 0.000000 -5.114835\n0.000000 -11.450777 0.000000\n-13.335661 0.000000 0.000000\nCr As O\n4 12 38\ndirect\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.509272 0.109531 0.370268 As\n0.509272 0.109531 0.129732 As\n0.509272 0.390469 0.370268 As\n0.509272 0.390469 0.129732 As\n0.490728 0.890469 0.629732 As\n0.490728 0.890469 0.870268 As\n0.490728 0.609531 0.629732 As\n0.490728 0.609531 0.870268 As\n0.060450 0.750000 0.366710 As\n0.060450 0.750000 0.133290 As\n0.939550 0.250000 0.633290 As\n0.939550 0.250000 0.866710 As\n0.363434 0.089337 0.250000 O\n0.363434 0.410663 0.250000 O\n0.636566 0.910663 0.750000 O\n0.636566 0.589337 0.750000 O\n0.253052 0.117841 0.448284 O\n0.253052 0.117841 0.051716 O\n0.253052 0.382159 0.448284 O\n0.253052 0.382159 0.051716 O\n0.746948 0.882159 0.551716 O\n0.746948 0.882159 0.948284 O\n0.746948 0.617841 0.551716 O\n0.746948 0.617841 0.948284 O\n0.177147 0.871669 0.427777 O\n0.177147 0.871669 0.072223 O\n0.177147 0.628331 0.427777 O\n0.177147 0.628331 0.072223 O\n0.822853 0.128331 0.572223 O\n0.822853 0.128331 0.927777 O\n0.822853 0.371669 0.572223 O\n0.822853 0.371669 0.927777 O\n0.230885 0.750000 0.250000 O\n0.769115 0.250000 0.750000 O\n0.765098 0.018254 0.380774 O\n0.765098 0.018254 0.119226 O\n0.765098 0.481746 0.380774 O\n0.765098 0.481746 0.119226 O\n0.234902 0.981746 0.619226 O\n0.234902 0.981746 0.880774 O\n0.234902 0.518254 0.619226 O\n0.234902 0.518254 0.880774 O\n0.658517 0.250000 0.363964 O\n0.658517 0.250000 0.136036 O\n0.341483 0.750000 0.636036 O\n0.341483 0.750000 0.863964 O\n0.733457 0.750000 0.333884 O\n0.733457 0.750000 0.166116 O\n0.266543 0.250000 0.666116 O\n0.266543 0.250000 0.833884 O\n",
"nsites": 54,
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"elements": [
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],
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"formula_full": "Cr4 As12 O38",
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"energy": -370.05843024,
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"spacegroup": 59
},
{
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"id": "mp-1204392",
"created_at": "2022-09-04T14:47:00.388006Z",
"structure_string": "Ti12 Mn12 Ge24\n1.0\n0.000000 0.000000 -7.967393\n0.000000 -8.992129 0.000000\n-9.911979 0.000000 0.000000\nTi Mn Ge\n12 12 24\ndirect\n0.741537 0.830506 0.046681 Ti\n0.741537 0.169494 0.953319 Ti\n0.258463 0.669494 0.546681 Ti\n0.258463 0.330506 0.453319 Ti\n0.258463 0.169494 0.953319 Ti\n0.258463 0.830506 0.046681 Ti\n0.741537 0.330506 0.453319 Ti\n0.741537 0.669494 0.546681 Ti\n0.500000 0.835817 0.321645 Ti\n0.500000 0.164183 0.678355 Ti\n0.500000 0.664183 0.821645 Ti\n0.500000 0.335817 0.178355 Ti\n0.747578 0.587930 0.249449 Mn\n0.747578 0.412070 0.750551 Mn\n0.252422 0.912070 0.749449 Mn\n0.252422 0.087930 0.250551 Mn\n0.252422 0.412070 0.750551 Mn\n0.252422 0.587930 0.249449 Mn\n0.747578 0.087930 0.250551 Mn\n0.747578 0.912070 0.749449 Mn\n0.742648 0.000000 0.500000 Mn\n0.257352 0.500000 0.000000 Mn\n0.257352 0.000000 0.500000 Mn\n0.742648 0.500000 0.000000 Mn\n0.836525 0.835235 0.316295 Ge\n0.836525 0.164765 0.683705 Ge\n0.163475 0.664765 0.816295 Ge\n0.163475 0.335235 0.183705 Ge\n0.163475 0.164765 0.683705 Ge\n0.163475 0.835235 0.316295 Ge\n0.836525 0.335235 0.183705 Ge\n0.836525 0.664765 0.816295 Ge\n0.500000 0.539903 0.379684 Ge\n0.500000 0.460097 0.620316 Ge\n0.500000 0.960097 0.879684 Ge\n0.500000 0.039903 0.120316 Ge\n0.000000 0.546239 0.379893 Ge\n0.000000 0.453761 0.620107 Ge\n0.000000 0.953761 0.879893 Ge\n0.000000 0.046239 0.120107 Ge\n0.500000 0.638659 0.100630 Ge\n0.500000 0.361341 0.899370 Ge\n0.500000 0.861341 0.600630 Ge\n0.500000 0.138659 0.399370 Ge\n0.000000 0.634426 0.095636 Ge\n0.000000 0.365574 0.904364 Ge\n0.000000 0.865574 0.595636 Ge\n0.000000 0.134426 0.404364 Ge\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ge"
],
"chemical_system": "Ge-Mn-Ti",
"density": 6.961323028945448,
"density_atomic": 0.06759305813153939,
"volume": 710.1320953194581,
"volume_molar": 8.909407158765655,
"formula_full": "Ti12 Mn12 Ge24",
"formula_reduced": "TiMnGe2",
"formula_anonymous": "ABC2",
"energy": -335.85633279,
"energy_per_atom": -6.997006933125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -335.85633279,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.177217,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:46.862000Z",
"spacegroup": 55
}
]
}