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{
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"results": [
{
"id": "mp-1245030",
"created_at": "2022-09-04T14:40:39.758034Z",
"structure_string": "Ga50 N50\n1.0\n11.169262 0.264574 0.050273\n0.267654 11.441346 -0.415172\n0.044391 -0.416249 10.969701\nGa N\n50 50\ndirect\n0.225843 0.481849 0.240719 Ga\n0.242158 0.579344 0.614951 Ga\n0.812582 0.855973 0.043413 Ga\n0.083624 0.479100 0.811977 Ga\n0.204329 0.210669 0.258325 Ga\n0.385447 0.085333 0.704541 Ga\n0.558026 0.882383 0.741092 Ga\n0.897754 0.331091 0.452413 Ga\n0.445138 0.265862 0.487263 Ga\n0.663341 0.006502 0.184897 Ga\n0.125921 0.777578 0.332613 Ga\n0.246684 0.015878 0.319987 Ga\n0.470272 0.334435 0.255556 Ga\n0.679589 0.491846 0.372265 Ga\n0.963377 0.357887 0.680538 Ga\n0.590221 0.096369 0.942697 Ga\n0.142507 0.174808 0.596634 Ga\n0.314425 0.253014 0.004242 Ga\n0.036893 0.713251 0.652517 Ga\n0.325777 0.514281 0.974995 Ga\n0.698438 0.192230 0.405143 Ga\n0.352530 0.340911 0.717164 Ga\n0.943689 0.610128 0.288035 Ga\n0.020873 0.220602 0.888077 Ga\n0.437460 0.532715 0.487712 Ga\n0.140043 0.706314 0.905027 Ga\n0.754407 0.572845 0.120880 Ga\n0.377883 0.815779 0.177310 Ga\n0.591849 0.814301 0.951219 Ga\n0.919019 0.104271 0.190251 Ga\n0.818477 0.321698 0.934975 Ga\n0.851198 0.115443 0.656582 Ga\n0.093531 0.888880 0.533915 Ga\n0.601971 0.673396 0.554747 Ga\n0.926796 0.870410 0.266598 Ga\n0.087866 0.427984 0.029593 Ga\n0.725135 0.442942 0.647060 Ga\n0.843564 0.687118 0.519166 Ga\n0.814316 0.615722 0.824694 Ga\n0.699794 0.735599 0.318719 Ga\n0.044215 0.525180 0.488244 Ga\n0.935818 0.364326 0.232030 Ga\n0.111883 0.883479 0.065790 Ga\n0.493446 0.975602 0.467950 Ga\n0.570515 0.362448 0.870263 Ga\n0.344178 0.799731 0.576946 Ga\n0.346354 0.791595 0.865611 Ga\n0.491455 0.647911 0.258584 Ga\n0.630078 0.169595 0.677217 Ga\n0.668644 0.287011 0.141574 Ga\n0.429322 0.613428 0.808206 N\n0.175322 0.957625 0.849500 N\n0.429632 0.961804 0.298882 N\n0.940133 0.987963 0.538960 N\n0.525593 0.836834 0.569496 N\n0.746095 0.616123 0.650441 N\n0.996485 0.190722 0.703477 N\n0.210318 0.870789 0.213980 N\n0.184794 0.296573 0.438465 N\n0.438981 0.126602 0.043115 N\n0.743966 0.152415 0.228569 N\n0.761610 0.442215 0.820043 N\n0.237214 0.637384 0.350715 N\n0.054683 0.481758 0.201195 N\n0.202729 0.209435 0.859615 N\n0.857154 0.156204 0.477932 N\n0.969997 0.029730 0.338723 N\n0.330987 0.988351 0.563128 N\n0.502986 0.492833 0.322646 N\n0.744332 0.709162 0.970931 N\n0.950061 0.692734 0.099029 N\n0.029929 0.645707 0.043924 N\n0.104187 0.966285 0.775991 N\n0.431831 0.812835 0.013476 N\n0.521989 0.521303 0.003851 N\n0.393557 0.357236 0.894138 N\n0.001583 0.640348 0.806155 N\n0.670607 0.962070 0.010531 N\n0.570796 0.562527 0.092253 N\n0.041055 0.223701 0.168739 N\n0.216961 0.027034 0.509803 N\n0.222451 0.451557 0.708223 N\n0.170943 0.401900 0.423179 N\n0.332498 0.675473 0.403391 N\n0.572117 0.126445 0.501057 N\n0.755528 0.868263 0.236023 N\n0.408182 0.077391 0.140708 N\n0.092016 0.245991 0.054706 N\n0.858421 0.877385 0.795047 N\n0.805525 0.398826 0.110869 N\n0.715644 0.360571 0.483146 N\n0.503883 0.559265 0.754529 N\n0.485991 0.031763 0.214663 N\n0.242611 0.171264 0.752954 N\n0.923899 0.055097 0.447554 N\n0.949707 0.947358 0.100912 N\n0.537205 0.056864 0.772200 N\n0.781629 0.908128 0.736551 N\n0.306413 0.325541 0.184785 N\n0.661389 0.247943 0.963056 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.96881568418266,
"density_atomic": 0.07147501417295034,
"volume": 1399.090313686778,
"volume_molar": 8.425518804974331,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.24045425,
"energy_per_atom": -5.6324045425,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.19045425,
"band_gap": 0.0571000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.909000Z",
"spacegroup": 1
},
{
"id": "mp-1222239",
"created_at": "2022-09-04T14:46:58.739233Z",
"structure_string": "Pr31 Ni64\n1.0\n-7.338695 -7.338695 -0.000000\n-0.000000 7.338695 -7.338695\n7.367846 -7.367846 -14.706541\nPr Ni\n31 64\ndirect\n0.499740 0.999479 0.000159 Pr\n0.993019 0.986037 0.492797 Pr\n0.750188 0.991046 0.258766 Pr\n0.257635 0.993456 0.748909 Pr\n0.000362 0.500101 0.000159 Pr\n0.521165 0.514184 0.492797 Pr\n0.750188 0.500376 0.258766 Pr\n0.257635 0.515271 0.748909 Pr\n0.499740 0.500101 0.000159 Pr\n0.993019 0.514184 0.492797 Pr\n0.240858 0.991046 0.258766 Pr\n0.735821 0.993456 0.748909 Pr\n0.438348 0.373686 0.187967 Pr\n0.940175 0.373581 0.686244 Pr\n0.438348 0.876695 0.187967 Pr\n0.940175 0.880349 0.686244 Pr\n0.185978 0.371956 0.442066 Pr\n0.687832 0.375665 0.936503 Pr\n0.935338 0.373686 0.187967 Pr\n0.433406 0.373581 0.686244 Pr\n0.646159 0.901992 0.451848 Pr\n0.187494 0.876163 0.936343 Pr\n0.646159 0.292319 0.451848 Pr\n0.187494 0.374988 0.936343 Pr\n0.937342 0.874684 0.187974 Pr\n0.451768 0.903535 0.644697 Pr\n0.255833 0.901992 0.451848 Pr\n0.688669 0.876163 0.936343 Pr\n0.249272 0.498544 0.252184 Pr\n0.750622 0.501245 0.748133 Pr\n0.999767 0.999534 0.000698 Pr\n0.968829 0.187496 0.343746 Ni\n0.468671 0.187486 0.843765 Ni\n0.468758 0.687425 0.343746 Ni\n0.968749 0.687565 0.843765 Ni\n0.218662 0.687423 0.093915 Ni\n0.718968 0.687438 0.593594 Ni\n0.968829 0.437587 0.343746 Ni\n0.468671 0.437420 0.843765 Ni\n0.218662 0.437324 0.093915 Ni\n0.718968 0.437935 0.593594 Ni\n0.468758 0.437587 0.343746 Ni\n0.968749 0.437420 0.843765 Ni\n0.594164 0.687790 0.218585 Ni\n0.094068 0.687728 0.718612 Ni\n0.093625 0.187250 0.218585 Ni\n0.593660 0.187320 0.718612 Ni\n0.093625 0.687790 0.218585 Ni\n0.593660 0.687728 0.718612 Ni\n0.468761 0.687423 0.093915 Ni\n0.968470 0.687438 0.593594 Ni\n0.218667 0.687425 0.343746 Ni\n0.718816 0.687565 0.843765 Ni\n0.218667 0.187496 0.343746 Ni\n0.718816 0.187486 0.843765 Ni\n0.967480 0.687701 0.344818 Ni\n0.468097 0.689268 0.842636 Ni\n0.967480 0.934961 0.344818 Ni\n0.468097 0.936193 0.842636 Ni\n0.844340 0.688680 0.466980 Ni\n0.343758 0.687517 0.968725 Ni\n0.720221 0.687701 0.344818 Ni\n0.221171 0.689268 0.842636 Ni\n0.719290 0.186872 0.093839 Ni\n0.216540 0.188747 0.594713 Ni\n0.719290 0.438579 0.093839 Ni\n0.216540 0.433080 0.594713 Ni\n0.594741 0.189482 0.215777 Ni\n0.093152 0.186303 0.720545 Ni\n0.467582 0.186872 0.093839 Ni\n0.972208 0.188747 0.594713 Ni\n0.719471 0.687329 0.094192 Ni\n0.209864 0.673646 0.595491 Ni\n0.218479 0.186337 0.094192 Ni\n0.730863 0.194644 0.595491 Ni\n0.470392 0.192275 0.337333 Ni\n0.969012 0.187449 0.843539 Ni\n0.719471 0.937951 0.094192 Ni\n0.209864 0.940728 0.595491 Ni\n0.470392 0.940785 0.337333 Ni\n0.969012 0.938023 0.843539 Ni\n0.218479 0.937951 0.094192 Ni\n0.730863 0.940728 0.595491 Ni\n0.856353 0.192795 0.470762 Ni\n0.343313 0.187254 0.968806 Ni\n0.336443 0.672885 0.470762 Ni\n0.843940 0.687881 0.968806 Ni\n0.336443 0.192795 0.470762 Ni\n0.843940 0.187254 0.968806 Ni\n0.721883 0.192275 0.337333 Ni\n0.218437 0.187449 0.843539 Ni\n0.967858 0.186337 0.094192 Ni\n0.463781 0.194644 0.595491 Ni\n0.967858 0.687329 0.094192 Ni\n0.463781 0.673646 0.595491 Ni\n",
"nsites": 95,
"nelements": 2,
"elements": [
"Pr",
"Ni"
],
"chemical_system": "Ni-Pr",
"density": 8.508208155791172,
"density_atomic": 0.05991218834318447,
"volume": 1585.6539817211847,
"volume_molar": 10.051612078504675,
"formula_full": "Pr31 Ni64",
"formula_reduced": "Pr31Ni64",
"formula_anonymous": "A31B64",
"energy": -545.21142656,
"energy_per_atom": -5.739067648,
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"band_gap": 0.0,
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"total_magnetization": 7.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.137000Z",
"spacegroup": 160
},
{
"id": "mp-1101663",
"created_at": "2022-09-04T14:44:21.167532Z",
"structure_string": "Na1 Li15 V16 O48\n1.0\n4.318287 9.170018 0.000000\n-4.318287 9.170018 0.000000\n0.000000 1.853394 12.677824\nNa Li V O\n1 15 16 48\ndirect\n0.100063 0.899937 0.500000 Na\n0.016257 0.234018 0.624409 Li\n0.660002 0.589820 0.624844 Li\n0.730416 0.269584 0.500000 Li\n0.410180 0.339998 0.375156 Li\n0.765982 0.983743 0.375591 Li\n0.909444 0.840415 0.875124 Li\n0.267208 0.482478 0.875153 Li\n0.982785 0.517537 0.749769 Li\n0.340080 0.158784 0.750118 Li\n0.482463 0.017215 0.250231 Li\n0.841216 0.659920 0.249882 Li\n0.517522 0.732792 0.124847 Li\n0.159585 0.090556 0.124876 Li\n0.590258 0.409742 0.000000 Li\n0.232796 0.767204 0.000000 Li\n0.045108 0.238619 0.350894 V\n0.520536 0.702001 0.395514 V\n0.234614 0.794903 0.730787 V\n0.702706 0.267329 0.772669 V\n0.297999 0.479464 0.604486 V\n0.761381 0.954892 0.649106 V\n0.982763 0.548178 0.477733 V\n0.451822 0.017237 0.522267 V\n0.796880 0.982737 0.102867 V\n0.267487 0.452095 0.146543 V\n0.482750 0.047031 0.978071 V\n0.952969 0.517250 0.021929 V\n0.547905 0.732513 0.853457 V\n0.017263 0.203120 0.897133 V\n0.732671 0.297294 0.227331 V\n0.205097 0.765386 0.269213 V\n0.007636 0.438464 0.365298 O\n0.251250 0.086592 0.315344 O\n0.490959 0.816473 0.506656 O\n0.664784 0.497648 0.436144 O\n0.990555 0.174384 0.464052 O\n0.326150 0.733445 0.376152 O\n0.654663 0.250965 0.338171 O\n0.434873 0.757294 0.743545 O\n0.749035 0.345337 0.661829 O\n0.089086 0.998388 0.687321 O\n0.266555 0.673850 0.623848 O\n0.825616 0.009445 0.535948 O\n0.502352 0.335216 0.563856 O\n0.183527 0.509041 0.493344 O\n0.499131 0.095417 0.412005 O\n0.497816 0.413089 0.812067 O\n0.836476 0.753053 0.438958 O\n0.153974 0.751222 0.841150 O\n0.742404 0.066022 0.758522 O\n0.913408 0.748750 0.684656 O\n0.251477 0.401104 0.714686 O\n0.561536 0.992364 0.634702 O\n0.345733 0.499033 0.036272 O\n0.246947 0.163524 0.561042 O\n0.002189 0.837049 0.064042 O\n0.904583 0.500869 0.587995 O\n0.684226 0.006656 0.992851 O\n0.999314 0.595516 0.911362 O\n0.337128 0.252152 0.938918 O\n0.507250 0.934167 0.868010 O\n0.095170 0.249057 0.786234 O\n0.413192 0.247222 0.186118 O\n0.752778 0.586808 0.813882 O\n0.750943 0.904830 0.213766 O\n0.065833 0.492750 0.131990 O\n0.747848 0.662873 0.061082 O\n0.404484 0.000686 0.088638 O\n0.993344 0.315774 0.007149 O\n0.162951 0.997811 0.935958 O\n0.500967 0.654267 0.963728 O\n0.815959 0.243190 0.882334 O\n0.598896 0.748523 0.285314 O\n0.933978 0.257596 0.241478 O\n0.248778 0.846026 0.158850 O\n0.586911 0.502184 0.187933 O\n0.756810 0.184041 0.117666 O\n0.001612 0.910914 0.312679 O\n0.242706 0.565127 0.256455 O\n",
"nsites": 80,
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"elements": [
"Na",
"Li",
"V",
"O"
],
"chemical_system": "Li-Na-O-V",
"density": 2.828292682097136,
"density_atomic": 0.07967711159981296,
"volume": 1004.0524611611022,
"volume_molar": 7.558181564420738,
"formula_full": "Na1 Li15 V16 O48",
"formula_reduced": "NaLi15V16O48",
"formula_anonymous": "AB15C16D48",
"energy": -605.4020867400001,
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"band_gap": 3.0463000000000005,
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"updated_at": "2021-11-28T01:36:37.253000Z",
"spacegroup": 5
},
{
"id": "mp-776279",
"created_at": "2022-09-04T14:44:59.578790Z",
"structure_string": "Li9 V19 O48\n1.0\n5.081339 0.000000 0.000000\n0.015686 10.299714 0.000000\n0.190653 0.011542 17.237357\nLi V O\n9 19 48\ndirect\n0.094826 0.250156 0.251006 Li\n0.253022 0.417497 0.969313 Li\n0.251207 0.581977 0.472544 Li\n0.252582 0.918303 0.472810 Li\n0.239839 0.257557 0.802262 Li\n0.758093 0.753953 0.192549 Li\n0.750755 0.918459 0.028562 Li\n0.743886 0.252176 0.703377 Li\n0.906052 0.750674 0.749005 Li\n0.408651 0.747379 0.750468 V\n0.594297 0.247476 0.248384 V\n0.244520 0.751040 0.299529 V\n0.229770 0.749806 0.944067 V\n0.223451 0.029675 0.656751 V\n0.221695 0.470779 0.655031 V\n0.237817 0.071432 0.973661 V\n0.289290 0.526632 0.154440 V\n0.288588 0.972623 0.157158 V\n0.285986 0.250293 0.443681 V\n0.713905 0.750370 0.557467 V\n0.713547 0.471563 0.842090 V\n0.715864 0.024954 0.845276 V\n0.759324 0.068818 0.528908 V\n0.757463 0.431234 0.528447 V\n0.765816 0.570475 0.023023 V\n0.772555 0.529200 0.342759 V\n0.776131 0.970828 0.344139 V\n0.769360 0.248893 0.056142 V\n0.058993 0.236705 0.996697 O\n0.056825 0.615854 0.365476 O\n0.057261 0.881895 0.368378 O\n0.109026 0.630636 0.212552 O\n0.091912 0.874387 0.216313 O\n0.086105 0.119182 0.465359 O\n0.083961 0.381133 0.464881 O\n0.101936 0.008063 0.072581 O\n0.075671 0.498133 0.078029 O\n0.175508 0.747271 0.843205 O\n0.176671 0.619637 0.703867 O\n0.179049 0.880364 0.705119 O\n0.369580 0.121084 0.207441 O\n0.364147 0.382903 0.203911 O\n0.366534 0.251506 0.344899 O\n0.428643 0.495792 0.574506 O\n0.432637 0.005847 0.576721 O\n0.399847 0.890107 0.966340 O\n0.440865 0.623816 0.966814 O\n0.394659 0.126075 0.714155 O\n0.403776 0.373968 0.708913 O\n0.418326 0.107761 0.883210 O\n0.447973 0.384637 0.869462 O\n0.452193 0.750468 0.497858 O\n0.578592 0.250605 0.506885 O\n0.580917 0.607253 0.118321 O\n0.558650 0.888966 0.131187 O\n0.562971 0.627282 0.290817 O\n0.558192 0.874462 0.295114 O\n0.560284 0.123189 0.034008 O\n0.599127 0.389766 0.034551 O\n0.611189 0.014388 0.431031 O\n0.608892 0.487860 0.429772 O\n0.628551 0.751994 0.657139 O\n0.630229 0.621082 0.793454 O\n0.636446 0.880799 0.796688 O\n0.826988 0.117276 0.292647 O\n0.820465 0.382124 0.291171 O\n0.824797 0.246375 0.157308 O\n0.902477 0.508514 0.930190 O\n0.924577 0.996572 0.924681 O\n0.903727 0.608549 0.536846 O\n0.904876 0.891669 0.536746 O\n0.890456 0.120561 0.786446 O\n0.911569 0.381854 0.784105 O\n0.923379 0.112296 0.618993 O\n0.920680 0.387073 0.617807 O\n0.941575 0.738047 0.004554 O\n",
"nsites": 76,
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"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.310123224080757,
"density_atomic": 0.08424411664223881,
"volume": 902.1401497121839,
"volume_molar": 7.148440745808216,
"formula_full": "Li9 V19 O48",
"formula_reduced": "Li9V19O48",
"formula_anonymous": "A9B19C48",
"energy": -610.5643034599998,
"energy_per_atom": -8.033740834999998,
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"energy_uncorrected": -545.28830346,
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"updated_at": "2021-11-28T01:36:46.546000Z",
"spacegroup": 1
},
{
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{
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{
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{
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{
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{
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}
]
}