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{
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"results": [
{
"id": "mp-1234744",
"created_at": "2022-09-04T14:40:19.790678Z",
"structure_string": "Mg1 Mn3 V1 Cr2 P6 O24\n1.0\n8.790326 0.042575 -0.034290\n4.332208 -7.455635 0.000518\n4.384782 -2.465441 -7.054365\nMg Mn V Cr P O\n1 3 1 2 6 24\ndirect\n0.750920 0.750509 0.744891 Mg\n0.115469 0.627278 0.631964 Mn\n0.385902 0.867715 0.872236 Mn\n0.948957 0.347173 0.354649 Mn\n0.557629 0.149125 0.149367 V\n0.980118 0.006834 0.005000 Cr\n0.520250 0.491810 0.492648 Cr\n0.252767 0.250002 0.544285 P\n0.249537 0.960785 0.248701 P\n0.247731 0.540124 0.961372 P\n0.744469 0.451683 0.051536 P\n0.748562 0.052382 0.749333 P\n0.756784 0.747069 0.443351 P\n0.075478 0.092107 0.357644 O\n0.076082 0.474365 0.091588 O\n0.086365 0.355283 0.479463 O\n0.189186 0.110184 0.753724 O\n0.425618 0.144370 0.410962 O\n0.320151 0.386098 0.550280 O\n0.184956 0.950643 0.114941 O\n0.313620 0.753818 0.387975 O\n0.578356 0.614919 0.993746 O\n0.316394 0.545734 0.751712 O\n0.770069 0.249722 0.068562 O\n0.579565 0.001095 0.804539 O\n0.413167 0.034569 0.143893 O\n0.181328 0.751562 0.952569 O\n0.714905 0.433440 0.251931 O\n0.411934 0.411684 0.032152 O\n0.728829 0.252109 0.588939 O\n0.768096 0.073864 0.907643 O\n0.739446 0.584366 0.424141 O\n0.583146 0.801093 0.609870 O\n0.775095 0.906397 0.243597 O\n0.923254 0.698329 0.492869 O\n0.916647 0.502344 0.887267 O\n0.919211 0.886562 0.693516 O\n",
"nsites": 37,
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"elements": [
"Mg",
"Mn",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Mg-Mn-O-P-V",
"density": 3.2784428451547414,
"density_atomic": 0.07993382434705798,
"volume": 462.8828947224244,
"volume_molar": 7.533907965985678,
"formula_full": "Mg1 Mn3 V1 Cr2 P6 O24",
"formula_reduced": "MgMn3VCr2(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -301.04468858,
"energy_per_atom": -8.136342934594595,
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"energy_uncorrected": -273.85468858,
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"updated_at": "2021-11-28T01:34:59.371000Z",
"spacegroup": 1
},
{
"id": "mp-752421",
"created_at": "2022-09-04T14:47:24.775173Z",
"structure_string": "Na10 Li2 Co4 P4 C4 O28\n1.0\n0.233702 5.197093 6.743084\n-0.200244 -5.185955 6.732462\n8.838668 0.022768 0.021802\nNa Li Co P C O\n10 2 4 4 4 28\ndirect\n0.488120 0.263321 0.914753 Na\n0.987902 0.763566 0.914689 Na\n0.134362 0.874342 0.266042 Na\n0.634357 0.374606 0.266436 Na\n0.375264 0.117091 0.263925 Na\n0.874838 0.617063 0.264208 Na\n0.864039 0.127484 0.728765 Na\n0.363648 0.628323 0.728413 Na\n0.621392 0.884058 0.731041 Na\n0.121957 0.384572 0.731099 Na\n0.512895 0.738426 0.106395 Li\n0.012796 0.236964 0.106041 Li\n0.763196 0.986504 0.343552 Co\n0.262768 0.486333 0.343830 Co\n0.737137 0.518881 0.648061 Co\n0.236608 0.020517 0.645820 Co\n0.484841 0.764551 0.410182 P\n0.984343 0.265045 0.410352 P\n0.513126 0.237194 0.582828 P\n0.012933 0.737405 0.582612 P\n0.731017 0.018726 0.059045 C\n0.231387 0.518309 0.058988 C\n0.272208 0.977653 0.948937 C\n0.772228 0.477844 0.949906 C\n0.320977 0.930341 0.081808 O\n0.820798 0.429812 0.082594 O\n0.844506 0.905451 0.116248 O\n0.344079 0.404316 0.116174 O\n0.631987 0.119353 0.154104 O\n0.132648 0.619306 0.154021 O\n0.444840 0.303518 0.430412 O\n0.945114 0.803056 0.429906 O\n0.335484 0.912526 0.444111 O\n0.835962 0.413922 0.443173 O\n0.661518 0.086662 0.550977 O\n0.162048 0.587336 0.551153 O\n0.553582 0.696938 0.562519 O\n0.051776 0.197710 0.563412 O\n0.348334 0.895997 0.828748 O\n0.848285 0.396260 0.829611 O\n0.150447 0.102704 0.931560 O\n0.651135 0.603535 0.932499 O\n0.716707 0.031282 0.914831 O\n0.217367 0.531372 0.914751 O\n0.431745 0.635383 0.309295 O\n0.931495 0.135515 0.309614 O\n0.613419 0.819176 0.308680 O\n0.114132 0.318150 0.309067 O\n0.382066 0.183035 0.682706 O\n0.882517 0.681903 0.682169 O\n0.567899 0.367733 0.680159 O\n0.065771 0.868924 0.679778 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Co",
"P",
"C",
"O"
],
"chemical_system": "C-Co-Li-Na-O-P",
"density": 2.952838937560409,
"density_atomic": 0.08410562280052943,
"volume": 618.2701972652495,
"volume_molar": 7.1602118377775,
"formula_full": "Na10 Li2 Co4 P4 C4 O28",
"formula_reduced": "Na5LiCo2P2(CO7)2",
"formula_anonymous": "AB2C2D2E5F14",
"energy": -358.99870324,
"energy_per_atom": -6.903821216153846,
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"energy_uncorrected": -333.21070324,
"band_gap": 2.4032,
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"is_magnetic": true,
"total_magnetization": 5.9082207,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.369000Z",
"spacegroup": 6
},
{
"id": "mp-1204808",
"created_at": "2022-09-04T14:47:34.640325Z",
"structure_string": "Na4 Li4 Ni2 P12 H48 O60\n1.0\n5.209286 9.016698 0.000000\n-5.209286 9.016698 0.000000\n0.000000 5.656996 13.947371\nNa Li Ni P H O\n4 4 2 12 48 60\ndirect\n0.359692 0.866155 0.905389 Na\n0.133845 0.640308 0.594611 Na\n0.640309 0.133845 0.094611 Na\n0.866155 0.359691 0.405389 Na\n0.228479 0.247655 0.752561 Li\n0.752345 0.771521 0.747439 Li\n0.771521 0.752345 0.247439 Li\n0.247655 0.228479 0.252561 Li\n0.741779 0.258221 0.750000 Ni\n0.258221 0.741779 0.250000 Ni\n0.785229 0.902114 0.536093 P\n0.097886 0.214771 0.963907 P\n0.214771 0.097886 0.463907 P\n0.902114 0.785229 0.036093 P\n0.267460 0.295446 0.539095 P\n0.704554 0.732540 0.960905 P\n0.732540 0.704554 0.460905 P\n0.295446 0.267460 0.039095 P\n0.588437 0.225273 0.464707 P\n0.774727 0.411563 0.035293 P\n0.411563 0.774727 0.535293 P\n0.225273 0.588437 0.964707 P\n0.388559 0.396105 0.700102 H\n0.603895 0.611441 0.799898 H\n0.611441 0.603895 0.299898 H\n0.396105 0.388559 0.200102 H\n0.261682 0.463782 0.782036 H\n0.536218 0.738318 0.717964 H\n0.738318 0.536218 0.217964 H\n0.463782 0.261682 0.282036 H\n0.484489 0.103294 0.799556 H\n0.896706 0.515511 0.700444 H\n0.515511 0.896706 0.200444 H\n0.103294 0.484489 0.299556 H\n0.490476 0.032058 0.722202 H\n0.967942 0.509524 0.777798 H\n0.509524 0.967942 0.277798 H\n0.032058 0.490476 0.222202 H\n0.191501 0.846399 0.804674 H\n0.153601 0.808499 0.695326 H\n0.808499 0.153601 0.195326 H\n0.846399 0.191501 0.304674 H\n0.274842 0.922528 0.716889 H\n0.077472 0.725158 0.783111 H\n0.725158 0.077472 0.283111 H\n0.922528 0.274842 0.216889 H\n0.502641 0.454738 0.852193 H\n0.545262 0.497359 0.647807 H\n0.497359 0.545262 0.147807 H\n0.454738 0.502641 0.352193 H\n0.649255 0.386061 0.898906 H\n0.613939 0.350745 0.601094 H\n0.350745 0.613939 0.101094 H\n0.386061 0.649255 0.398906 H\n0.981874 0.312909 0.652342 H\n0.687091 0.018126 0.847658 H\n0.018126 0.687091 0.347658 H\n0.312909 0.981874 0.152342 H\n0.840607 0.436612 0.602905 H\n0.563388 0.159393 0.897095 H\n0.159393 0.563388 0.397095 H\n0.436612 0.840607 0.102905 H\n0.951492 0.189353 0.847283 H\n0.810647 0.048508 0.652717 H\n0.048508 0.810647 0.152717 H\n0.189353 0.951492 0.347283 H\n0.884749 0.068155 0.893484 H\n0.931845 0.115251 0.606516 H\n0.115251 0.931845 0.106516 H\n0.068155 0.884749 0.393484 H\n0.186097 0.244945 0.635884 O\n0.755055 0.813903 0.864116 O\n0.813903 0.755055 0.364116 O\n0.244945 0.186097 0.135884 O\n0.444071 0.216978 0.547247 O\n0.783022 0.555929 0.952753 O\n0.555929 0.783022 0.452753 O\n0.216978 0.444071 0.047247 O\n0.280491 0.419880 0.727524 O\n0.580120 0.719509 0.772476 O\n0.719509 0.580120 0.272476 O\n0.419880 0.280491 0.227524 O\n0.423809 0.071938 0.779664 O\n0.928062 0.576191 0.720336 O\n0.576191 0.928062 0.220336 O\n0.071938 0.423809 0.279664 O\n0.233216 0.918970 0.785257 O\n0.081030 0.766784 0.714743 O\n0.766784 0.081030 0.214743 O\n0.918970 0.233216 0.285257 O\n0.545130 0.299230 0.368078 O\n0.700770 0.454870 0.131922 O\n0.454870 0.700770 0.631922 O\n0.299230 0.545130 0.868078 O\n0.724907 0.939072 0.635039 O\n0.060928 0.275093 0.864961 O\n0.275093 0.060928 0.364961 O\n0.939072 0.724907 0.135039 O\n0.215028 0.461769 0.498334 O\n0.538231 0.784972 0.001666 O\n0.784972 0.538231 0.501666 O\n0.461769 0.215028 0.998334 O\n0.664398 0.283290 0.500535 O\n0.716710 0.335602 0.999465 O\n0.335602 0.716710 0.499465 O\n0.283290 0.664398 0.000535 O\n0.723965 0.784053 0.540164 O\n0.215947 0.276035 0.959836 O\n0.276035 0.215947 0.459836 O\n0.784053 0.723965 0.040164 O\n0.951578 0.840322 0.496682 O\n0.159678 0.048422 0.003318 O\n0.048422 0.159678 0.503318 O\n0.840322 0.951578 0.996682 O\n0.695974 0.047223 0.458968 O\n0.952777 0.304026 0.041032 O\n0.304026 0.952777 0.541032 O\n0.047223 0.695974 0.958968 O\n0.613889 0.422509 0.836745 O\n0.577491 0.386111 0.663255 O\n0.386111 0.577491 0.163255 O\n0.422509 0.613889 0.336745 O\n0.871154 0.378669 0.666641 O\n0.621331 0.128846 0.833359 O\n0.128846 0.621331 0.333359 O\n0.378669 0.871154 0.166641 O\n0.899359 0.141980 0.834565 O\n0.858020 0.100641 0.665435 O\n0.100641 0.858020 0.165435 O\n0.141980 0.899359 0.334565 O\n",
"nsites": 130,
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"elements": [
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"Li",
"Ni",
"P",
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],
"chemical_system": "H-Li-Na-Ni-O-P",
"density": 2.0495035755786217,
"density_atomic": 0.09921909872800137,
"volume": 1310.2316153503994,
"volume_molar": 6.069537858340216,
"formula_full": "Na4 Li4 Ni2 P12 H48 O60",
"formula_reduced": "Na2Li2NiP6(H4O5)6",
"formula_anonymous": "AB2C2D6E24F30",
"energy": -783.73128726,
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"total_magnetization": 2.89e-05,
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"updated_at": "2021-11-28T01:38:16.916000Z",
"spacegroup": 15
},
{
"id": "mp-1205047",
"created_at": "2022-09-04T14:47:34.372861Z",
"structure_string": "Ag4 H144 C60 S12 N24 Cl4\n1.0\n13.196300 0.042132 3.742213\n5.461473 12.263128 3.727902\n-0.039242 -0.006343 16.874958\nAg H C S N Cl\n4 144 60 12 24 4\ndirect\n0.326257 0.307500 0.544834 Ag\n0.673743 0.692500 0.455166 Ag\n0.324530 0.841211 0.973458 Ag\n0.675470 0.158789 0.026542 Ag\n0.503814 0.182426 0.411736 H\n0.496186 0.817574 0.588264 H\n0.493519 0.126338 0.286383 H\n0.506481 0.873662 0.713617 H\n0.709984 0.928304 0.475272 H\n0.290016 0.071696 0.524728 H\n0.879629 0.912715 0.555347 H\n0.120371 0.087285 0.444653 H\n0.192750 0.364884 0.429513 H\n0.807250 0.635116 0.570487 H\n0.132460 0.323549 0.289504 H\n0.867540 0.676451 0.710496 H\n0.917760 0.391288 0.486322 H\n0.082240 0.608712 0.513678 H\n0.839292 0.234363 0.550241 H\n0.160708 0.765637 0.449759 H\n0.364652 0.493082 0.428459 H\n0.635348 0.506918 0.571541 H\n0.492143 0.503534 0.298440 H\n0.507857 0.496466 0.701560 H\n0.386758 0.690412 0.504881 H\n0.613242 0.309588 0.495119 H\n0.211474 0.845562 0.599822 H\n0.788526 0.154438 0.400178 H\n0.447414 0.822652 0.103564 H\n0.552586 0.177348 0.896436 H\n0.612159 0.718450 0.232623 H\n0.387841 0.281550 0.767377 H\n0.678602 0.891852 0.033377 H\n0.321398 0.108148 0.966623 H\n0.878431 0.760733 0.943893 H\n0.121569 0.239267 0.056107 H\n0.137440 0.963686 0.088370 H\n0.862560 0.036314 0.911630 H\n0.029628 0.912089 0.213406 H\n0.970372 0.087911 0.786594 H\n0.918736 0.199565 0.014945 H\n0.081264 0.800435 0.985055 H\n0.952386 0.395128 0.923682 H\n0.047614 0.604872 0.076318 H\n0.345349 0.644627 0.073988 H\n0.654651 0.355373 0.926012 H\n0.223817 0.525356 0.201244 H\n0.776183 0.474644 0.798756 H\n0.365257 0.419322 0.005824 H\n0.634743 0.580678 0.994176 H\n0.166092 0.450888 0.946911 H\n0.833908 0.549112 0.053089 H\n0.715384 0.013934 0.351891 H\n0.284616 0.986066 0.648109 H\n0.610372 0.964118 0.379279 H\n0.389628 0.035882 0.620721 H\n0.596329 0.179219 0.260023 H\n0.403671 0.820781 0.739977 H\n0.625555 0.056395 0.227568 H\n0.374445 0.943605 0.772432 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{
"id": "mp-772507",
"created_at": "2022-09-04T14:40:26.822835Z",
"structure_string": "Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.772614 0.000000 0.000000\n-0.178396 8.772490 0.000000\n-0.036243 -0.165021 10.182383\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.240480 0.917335 0.877224 Na\n0.501259 0.746165 0.623940 Na\n0.997835 0.746210 0.126374 Na\n0.501329 0.744433 0.124961 Na\n0.500814 0.253680 0.875327 Na\n0.499562 0.253803 0.375975 Na\n0.234725 0.915885 0.375320 Li\n0.024880 0.726539 0.612916 Li\n0.974909 0.273102 0.887806 Li\n0.983305 0.268317 0.383295 Li\n0.773798 0.087984 0.626552 Li\n0.763264 0.092373 0.127506 Li\n0.750371 0.638182 0.884424 Mn\n0.753845 0.641300 0.389769 Mn\n0.245486 0.353196 0.612165 Mn\n0.243833 0.357527 0.111431 Mn\n0.239159 0.584885 0.849857 P\n0.246469 0.591136 0.355122 P\n0.758863 0.405723 0.645238 P\n0.752173 0.403599 0.146117 P\n0.760881 0.955239 0.865738 C\n0.760573 0.955780 0.367062 C\n0.238817 0.043441 0.626717 C\n0.246286 0.059839 0.142960 C\n0.222557 0.898756 0.647461 O\n0.255334 0.914793 0.164928 O\n0.753781 0.916958 0.989193 O\n0.752226 0.915882 0.489401 O\n0.751582 0.850365 0.773827 O\n0.754286 0.851060 0.274022 O\n0.064922 0.681666 0.900038 O\n0.432611 0.672354 0.890183 O\n0.073700 0.695120 0.400179 O\n0.438912 0.678809 0.396276 O\n0.228362 0.573117 0.696498 O\n0.770831 0.570892 0.590454 O\n0.241797 0.572638 0.202402 O\n0.746801 0.564539 0.085177 O\n0.231815 0.420238 0.905010 O\n0.775171 0.419904 0.798323 O\n0.231164 0.429113 0.413808 O\n0.774897 0.424592 0.298441 O\n0.563233 0.320620 0.608202 O\n0.926628 0.303121 0.591893 O\n0.562404 0.307673 0.114253 O\n0.924794 0.306669 0.091944 O\n0.246049 0.139636 0.726041 O\n0.234042 0.154730 0.241362 O\n0.248570 0.094511 0.507358 O\n0.248930 0.112031 0.023818 O\n0.776618 0.097027 0.832052 O\n0.775065 0.097513 0.333662 O\n",
"nsites": 52,
"nelements": 6,
"elements": [
"Na",
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.7977217896631306,
"density_atomic": 0.0859557054986656,
"volume": 604.9627502715019,
"volume_molar": 7.006097762868679,
"formula_full": "Na6 Li6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E3F14",
"energy": -377.19769897,
"energy_per_atom": -7.25380190326923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.28969897,
"band_gap": 3.487,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0042962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.333000Z",
"spacegroup": 1
}
]
}