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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=1713",
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"results": [
{
"id": "mp-1332664",
"created_at": "2022-09-04T14:43:54.378604Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.462998 0.000000 0.000000\n-4.196560 7.965922 0.000000\n-0.006123 -4.540637 14.083948\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.249405 0.516906 0.331296 Li\n0.800810 0.716887 0.135557 Li\n0.295755 0.216151 0.634441 Li\n0.730746 0.394851 0.461380 Li\n0.230078 0.890462 0.960669 Li\n0.751292 0.020646 0.831098 Li\n0.250450 0.983285 0.165403 Li\n0.772215 0.108345 0.039607 Li\n0.274484 0.605014 0.541740 Li\n0.694369 0.775658 0.366282 Li\n0.197195 0.280806 0.865293 Li\n0.744971 0.480952 0.663924 Li\n0.977261 0.626947 0.326452 Mn\n0.222933 0.367950 0.074459 Mn\n0.525405 0.871381 0.175130 Mn\n0.023637 0.374333 0.674675 Mn\n0.474669 0.127047 0.824487 V\n0.274339 0.129159 0.424873 V\n0.718768 0.866378 0.574410 V\n0.782301 0.632365 0.925709 V\n0.086217 0.624334 0.121791 P\n0.023041 0.266842 0.480904 P\n0.521999 0.474377 0.275928 P\n0.018048 0.976262 0.772766 P\n0.578208 0.125583 0.622158 P\n0.526762 0.770722 0.978692 P\n0.479313 0.237924 0.016515 P\n0.410233 0.872701 0.376220 P\n0.982394 0.021318 0.229988 P\n0.484808 0.520487 0.731982 P\n0.977832 0.733354 0.518562 P\n0.910839 0.374023 0.874054 P\n0.252294 0.801352 0.099521 O\n0.067991 0.569864 0.227559 O\n0.632070 0.833095 0.071777 O\n0.128280 0.327985 0.574334 O\n0.482776 0.624322 0.281614 O\n0.097367 0.482186 0.092098 O\n0.172793 0.290219 0.428967 O\n0.721498 0.547348 0.258368 O\n0.216600 0.048069 0.755303 O\n0.494418 0.344861 0.375791 O\n0.397388 0.387106 0.197132 O\n0.744098 0.302131 0.600646 O\n0.919019 0.658777 0.059208 O\n0.410275 0.157587 0.559795 O\n0.124762 0.117602 0.306020 O\n0.561029 0.073019 0.729548 O\n0.922623 0.380584 0.418356 O\n0.433634 0.892646 0.915123 O\n0.002292 0.144655 0.130047 O\n0.607990 0.430780 0.994425 O\n0.105853 0.927921 0.493998 O\n0.980373 0.125908 0.779583 O\n0.323239 0.211128 0.064824 O\n0.396073 0.010967 0.408805 O\n0.593213 0.982443 0.597121 O\n0.679638 0.793321 0.927863 O\n0.024294 0.870188 0.226651 O\n0.889019 0.077478 0.502283 O\n0.387963 0.585792 0.995634 O\n0.995993 0.847628 0.873086 O\n0.579968 0.127991 0.079073 O\n0.085250 0.627968 0.579205 O\n0.428994 0.932709 0.271355 O\n0.888250 0.888544 0.694870 O\n0.569312 0.830427 0.440748 O\n0.069002 0.331060 0.934789 O\n0.237451 0.695326 0.395926 O\n0.627867 0.616845 0.805798 O\n0.509511 0.640535 0.630885 O\n0.793262 0.951578 0.254291 O\n0.293976 0.454463 0.752611 O\n0.828340 0.708021 0.569805 O\n0.896200 0.512240 0.908910 O\n0.522623 0.364428 0.730872 O\n0.873799 0.671597 0.424888 O\n0.381121 0.177187 0.920802 O\n0.924373 0.436885 0.768547 O\n0.735066 0.201787 0.894695 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8795014512255235,
"density_atomic": 0.08425686309986331,
"volume": 949.4775506320716,
"volume_molar": 7.147359322957952,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -490.04212488,
"energy_per_atom": -6.125526561,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -443.59412488,
"band_gap": 0.0044999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0378938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.514000Z",
"spacegroup": 1
},
{
"id": "mp-677223",
"created_at": "2022-09-04T14:43:11.880790Z",
"structure_string": "Na4 Ca4 Al12 Si12 O48\n1.0\n12.292399 0.000000 0.000000\n0.152883 12.429611 0.000000\n0.079860 0.129547 12.682543\nNa Ca Al Si O\n4 4 12 12 48\ndirect\n0.202344 0.782804 0.193166 Na\n0.213987 0.210863 0.193336 Na\n0.802965 0.790133 0.208216 Na\n0.788410 0.215560 0.195441 Na\n0.192343 0.184671 0.784574 Ca\n0.813526 0.200832 0.786282 Ca\n0.817468 0.816501 0.778883 Ca\n0.189209 0.808003 0.796989 Ca\n0.999309 0.622181 0.186322 Al\n0.988602 0.190158 0.612935 Al\n0.011291 0.814207 0.614891 Al\n0.807053 0.998988 0.611883 Al\n0.189334 0.005710 0.616928 Al\n0.640711 0.999830 0.831543 Al\n0.999900 0.367371 0.824769 Al\n0.998327 0.634218 0.830868 Al\n0.368215 0.002986 0.828471 Al\n0.634513 0.184296 0.001963 Al\n0.182716 0.366389 0.000575 Al\n0.369385 0.815742 0.004116 Al\n0.813465 0.375573 0.005857 Si\n0.630349 0.994575 0.181219 Si\n0.997397 0.373291 0.184495 Si\n0.374352 0.994724 0.183760 Si\n0.993170 0.179313 0.359244 Si\n0.008122 0.820105 0.364267 Si\n0.813704 0.998203 0.365110 Si\n0.183486 0.004266 0.361177 Si\n0.371449 0.182042 0.005989 Si\n0.812662 0.630966 0.006656 Si\n0.186287 0.626112 0.003189 Si\n0.634406 0.815218 0.006798 Si\n0.782361 0.503743 0.993957 O\n0.296092 0.285712 0.032021 O\n0.699391 0.700192 0.021819 O\n0.507952 0.792254 0.998282 O\n0.294170 0.698943 0.015860 O\n0.660809 0.102321 0.116004 O\n0.886586 0.355778 0.113378 O\n0.103420 0.340688 0.116131 O\n0.661595 0.883022 0.117274 O\n0.351307 0.102676 0.112547 O\n0.880574 0.651713 0.113546 O\n0.113232 0.648958 0.109151 O\n0.339845 0.886310 0.123851 O\n0.997235 0.491149 0.234971 O\n0.502849 0.991365 0.220275 O\n0.984547 0.280226 0.277393 O\n0.293023 0.010198 0.286262 O\n0.000761 0.724123 0.280640 O\n0.712603 0.987816 0.282288 O\n0.883672 0.106865 0.329372 O\n0.105887 0.110487 0.325637 O\n0.895014 0.893613 0.342182 O\n0.114692 0.895650 0.326724 O\n0.992653 0.220307 0.477559 O\n0.218728 0.006700 0.481244 O\n0.021896 0.777215 0.482388 O\n0.763292 0.003097 0.480563 O\n0.867202 0.121923 0.639516 O\n0.106123 0.117577 0.645717 O\n0.890167 0.885682 0.630465 O\n0.130306 0.881779 0.649165 O\n0.283573 0.022840 0.718946 O\n0.979222 0.282933 0.716918 O\n0.998554 0.730174 0.728469 O\n0.723107 0.976438 0.721633 O\n0.998073 0.502036 0.802718 O\n0.504940 0.003372 0.811682 O\n0.690988 0.119048 0.891468 O\n0.878755 0.331156 0.901856 O\n0.117673 0.313816 0.888390 O\n0.688025 0.880763 0.907115 O\n0.321905 0.119701 0.903338 O\n0.875022 0.677128 0.900562 O\n0.117016 0.676533 0.900738 O\n0.317998 0.885432 0.893079 O\n0.497158 0.211549 0.993985 O\n0.707988 0.301901 0.027324 O\n0.213557 0.501267 0.985685 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Na",
"Ca",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-Na-O-Si",
"density": 1.4405500676178489,
"density_atomic": 0.04128473087128452,
"volume": 1937.7624199469778,
"volume_molar": 14.586847565448664,
"formula_full": "Na4 Ca4 Al12 Si12 O48",
"formula_reduced": "NaCaAl3(SiO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -619.44691566,
"energy_per_atom": -7.7430864457499995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -586.47091566,
"band_gap": 3.4731,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008617,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.918000Z",
"spacegroup": 1
},
{
"id": "mp-777839",
"created_at": "2022-09-04T14:43:22.573530Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n9.847679 0.000000 0.000000\n0.338824 9.854969 0.000000\n0.384590 0.713891 9.868127\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.022659 0.948729 0.000959 Li\n0.863752 0.257887 0.940657 Li\n0.265470 0.914469 0.869891 Li\n0.358540 0.441089 0.766463 Li\n0.058633 0.141500 0.727477 Li\n0.577531 0.233490 0.631245 Li\n0.231151 0.643622 0.558388 Li\n0.547708 0.484592 0.499154 Li\n0.445440 0.767842 0.352574 Li\n0.643588 0.541049 0.235869 Li\n0.959588 0.843326 0.276610 Li\n0.733601 0.057918 0.148174 Li\n0.524113 0.746421 0.974370 Mn\n0.027488 0.474230 0.261215 Mn\n0.248046 0.259325 0.242651 Mn\n0.469647 0.239146 0.026396 Mn\n0.747178 0.748980 0.754034 V\n0.963618 0.534357 0.752427 V\n0.753588 0.973172 0.536000 V\n0.251095 0.041689 0.462346 V\n0.146526 0.324170 0.946257 P\n0.664694 0.044205 0.854498 P\n0.644442 0.448681 0.825935 P\n0.050449 0.853927 0.672865 P\n0.449595 0.833762 0.639607 P\n0.162410 0.357250 0.552059 P\n0.821535 0.660636 0.453629 P\n0.549757 0.184361 0.352585 P\n0.951861 0.150328 0.325589 P\n0.347729 0.551628 0.173676 P\n0.328745 0.950864 0.148011 P\n0.852673 0.672999 0.052664 P\n0.592742 0.379222 0.964080 O\n0.771708 0.090377 0.947507 O\n0.879717 0.669855 0.891270 O\n0.661733 0.882177 0.882065 O\n0.299926 0.305111 0.906680 O\n0.521319 0.104801 0.885470 O\n0.057238 0.212036 0.902348 O\n0.099421 0.464586 0.882424 O\n0.617602 0.607029 0.829857 O\n0.798694 0.411463 0.815152 O\n0.409112 0.806525 0.791719 O\n0.094183 0.938011 0.788706 O\n0.889752 0.878774 0.672860 O\n0.560594 0.406389 0.708870 O\n0.698055 0.084097 0.701218 O\n0.086328 0.698864 0.691004 O\n0.611535 0.835774 0.622567 O\n0.826542 0.625204 0.614484 O\n0.392369 0.975903 0.590626 O\n0.025810 0.394253 0.623563 O\n0.276713 0.444887 0.595158 O\n0.405586 0.724121 0.549939 O\n0.189858 0.200923 0.583425 O\n0.114512 0.904453 0.535798 O\n0.895644 0.102121 0.467796 O\n0.807231 0.818530 0.420048 O\n0.700485 0.587421 0.407865 O\n0.585856 0.299338 0.437233 O\n0.960650 0.622249 0.387474 O\n0.612866 0.046203 0.405774 O\n0.152843 0.385679 0.393700 O\n0.386113 0.176953 0.369390 O\n0.304299 0.918599 0.304260 O\n0.915698 0.301629 0.292453 O\n0.445158 0.593128 0.279438 O\n0.116129 0.130271 0.328335 O\n0.911248 0.055143 0.219403 O\n0.197261 0.586361 0.203671 O\n0.590371 0.201065 0.198864 O\n0.373586 0.391093 0.166443 O\n0.911103 0.535372 0.117338 O\n0.919384 0.798315 0.095675 O\n0.466574 0.878205 0.113120 O\n0.697606 0.670872 0.085314 O\n0.344241 0.110200 0.118523 O\n0.213270 0.911812 0.062209 O\n0.125191 0.327111 0.104995 O\n0.390041 0.615108 0.029613 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8548160271637304,
"density_atomic": 0.08353454486840302,
"volume": 957.6876264308233,
"volume_molar": 7.209162113095894,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -606.4399514199999,
"energy_per_atom": -7.580499392749999,
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"energy_uncorrected": -559.99195142,
"band_gap": 0.3071999999999999,
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"total_magnetization": 23.9999987,
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"updated_at": "2021-11-28T01:36:22.447000Z",
"spacegroup": 1
},
{
"id": "mp-532552",
"created_at": "2022-09-04T14:43:36.975678Z",
"structure_string": "Na12 Zr4 Ni4 P12 O48\n1.0\n-9.030694 0.000000 0.000000\n4.497777 7.831896 0.000000\n4.506490 -2.558098 -14.735586\nNa Zr Ni P O\n12 4 4 12 48\ndirect\n0.026802 0.010450 0.985819 Na\n0.013384 0.495479 0.515827 Na\n0.753860 0.549511 0.956541 Na\n0.498151 0.252830 0.750233 Na\n0.255310 0.936905 0.550694 Na\n0.793120 0.033125 0.136662 Na\n0.758923 0.051923 0.437951 Na\n0.790488 0.580381 0.310225 Na\n0.502877 0.751273 0.249370 Na\n0.240634 0.937308 0.185725 Na\n0.259192 0.444128 0.066998 Na\n0.234366 0.490756 0.371970 Na\n0.564816 0.788939 0.922907 Zr\n0.939923 0.470565 0.819535 Zr\n0.556727 0.278595 0.428826 Zr\n0.057000 0.025906 0.680255 Zr\n0.943482 0.973510 0.324651 Ni\n0.436830 0.711638 0.575383 Ni\n0.058079 0.530422 0.176121 Ni\n0.450137 0.228628 0.074785 Ni\n0.737739 0.718577 0.769104 P\n0.730609 0.153802 0.625177 P\n0.761945 0.238804 0.984518 P\n0.233581 0.267851 0.520405 P\n0.266737 0.338315 0.877271 P\n0.748022 0.228851 0.269784 P\n0.250774 0.772607 0.722255 P\n0.751088 0.671073 0.126856 P\n0.741260 0.723958 0.476629 P\n0.245937 0.775640 0.021577 P\n0.241683 0.822720 0.373051 P\n0.243896 0.270261 0.226142 P\n0.081520 0.639235 0.745476 O\n0.067974 0.648701 0.942412 O\n0.752355 0.797631 0.863153 O\n0.109702 0.375822 0.852199 O\n0.567710 0.672278 0.693098 O\n0.747718 0.552494 0.788201 O\n0.742657 0.251950 0.542055 O\n0.752912 0.272521 0.705587 O\n0.397952 0.277914 0.499268 O\n0.773467 0.307047 0.892662 O\n0.251399 0.445029 0.528698 O\n0.446641 0.515106 0.895848 O\n0.552623 0.981968 0.602249 O\n0.073968 0.127850 0.243370 O\n0.738199 0.054406 0.972507 O\n0.236768 0.192000 0.610684 O\n0.601096 0.236559 0.998735 O\n0.057766 0.143852 0.443298 O\n0.244823 0.223688 0.795424 O\n0.739824 0.291211 0.363046 O\n0.075053 0.840182 0.355803 O\n0.260921 0.251631 0.961281 O\n0.573207 0.178695 0.192002 O\n0.754568 0.060574 0.281107 O\n0.250341 0.944619 0.712277 O\n0.419632 0.814803 0.803507 O\n0.740376 0.773041 0.044033 O\n0.895594 0.129236 0.648265 O\n0.246648 0.701960 0.632578 O\n0.762331 0.777596 0.208871 O\n0.916783 0.850092 0.557472 O\n0.405004 0.787831 0.994152 O\n0.749419 0.796150 0.386774 O\n0.258347 0.950001 0.034153 O\n0.913200 0.855361 0.751251 O\n0.417253 0.009497 0.398869 O\n0.575367 0.493431 0.106105 O\n0.743067 0.551383 0.466150 O\n0.252507 0.698428 0.110297 O\n0.570897 0.696694 0.492378 O\n0.245222 0.734582 0.289077 O\n0.246615 0.721658 0.453062 O\n0.253193 0.446606 0.222761 O\n0.415174 0.309082 0.308869 O\n0.921166 0.661051 0.137721 O\n0.251074 0.202632 0.137198 O\n0.941847 0.347207 0.062892 O\n0.920747 0.383986 0.259879 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Na",
"Zr",
"Ni",
"P",
"O"
],
"chemical_system": "Na-Ni-O-P-Zr",
"density": 3.2107943223178994,
"density_atomic": 0.07675992417443492,
"volume": 1042.2105136295093,
"volume_molar": 7.845423018286005,
"formula_full": "Na12 Zr4 Ni4 P12 O48",
"formula_reduced": "Na3ZrNi(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -593.9257661199999,
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"energy_above_hull": null,
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"energy_uncorrected": -550.78576612,
"band_gap": 3.7976,
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"updated_at": "2021-11-28T01:36:23.134000Z",
"spacegroup": 1
},
{
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{
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{
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.951731 0.079183 -0.014304\n3.872462 -7.505958 0.001778\n3.979096 2.175958 -13.977541\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.147948 0.255353 0.331906 Li\n0.149527 0.796021 0.132672 Li\n0.151205 0.295172 0.632377 Li\n0.149528 0.724773 0.460327 Li\n0.149956 0.225400 0.961015 Li\n0.148622 0.757471 0.832975 Li\n0.850393 0.242657 0.167785 Li\n0.853308 0.773697 0.038332 Li\n0.849490 0.275113 0.539138 Li\n0.850614 0.703027 0.367823 Li\n0.849497 0.204363 0.868470 Li\n0.851215 0.743485 0.668082 Li\n0.042942 0.977659 0.325735 Mn\n0.562570 0.221901 0.073652 Mn\n0.437654 0.281138 0.424095 Mn\n0.560532 0.721361 0.575986 Mn\n0.045742 0.478571 0.825881 V\n0.435085 0.781720 0.927080 V\n0.954547 0.521378 0.173732 V\n0.952442 0.024711 0.675345 V\n0.251392 0.085818 0.124714 P\n0.250010 0.022789 0.478094 P\n0.252100 0.519181 0.268300 P\n0.249769 0.022535 0.770652 P\n0.249180 0.587717 0.625842 P\n0.250533 0.521063 0.978490 P\n0.748004 0.481359 0.020254 P\n0.748368 0.416215 0.375736 P\n0.753966 0.971798 0.229470 P\n0.749955 0.477083 0.730573 P\n0.745858 0.979468 0.521199 P\n0.749152 0.916178 0.875806 P\n0.099539 0.258671 0.103761 O\n0.196117 0.067861 0.231750 O\n0.097726 0.614991 0.077108 O\n0.097219 0.117551 0.576407 O\n0.099332 0.473021 0.266678 O\n0.426274 0.091597 0.096763 O\n0.266978 0.183040 0.431748 O\n0.199051 0.713744 0.249954 O\n0.193207 0.220485 0.754449 O\n0.263599 0.499918 0.371455 O\n0.425285 0.387098 0.194115 O\n0.098821 0.762122 0.605278 O\n0.266396 0.927990 0.061480 O\n0.261491 0.430483 0.565228 O\n0.583845 0.100013 0.303773 O\n0.193727 0.572029 0.734217 O\n0.189360 0.929990 0.413460 O\n0.188953 0.427035 0.916090 O\n0.749163 0.991977 0.126186 O\n0.579154 0.615482 0.002795 O\n0.577839 0.114904 0.505222 O\n0.095862 0.979039 0.768873 O\n0.732100 0.323007 0.068198 O\n0.574414 0.407415 0.402352 O\n0.423966 0.594223 0.598346 O\n0.262064 0.681277 0.931829 O\n0.910884 0.015630 0.232238 O\n0.417257 0.885631 0.493096 O\n0.419570 0.387239 0.992903 O\n0.263694 0.999197 0.873273 O\n0.806607 0.575655 0.083188 O\n0.807349 0.071407 0.584379 O\n0.804491 0.430966 0.267365 O\n0.420529 0.895376 0.695444 O\n0.729726 0.578246 0.436875 O\n0.733027 0.074980 0.939083 O\n0.899706 0.247075 0.397197 O\n0.580050 0.606894 0.806384 O\n0.739179 0.495120 0.628208 O\n0.809963 0.775001 0.247600 O\n0.805479 0.279646 0.748789 O\n0.728316 0.820648 0.569895 O\n0.578952 0.906742 0.901128 O\n0.903139 0.522812 0.733142 O\n0.901579 0.879251 0.424754 O\n0.900807 0.385427 0.922143 O\n0.805550 0.933619 0.768061 O\n0.901562 0.742305 0.895803 O\n",
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"formula_full": "Li12 Mn4 V4 P12 O48",
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{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n-8.420934 0.000000 0.000000\n4.061425 7.942536 0.000000\n-0.091867 -4.333027 -14.122007\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.254259 0.520622 0.331323 Li\n0.798296 0.717279 0.135526 Li\n0.294845 0.216171 0.632650 Li\n0.727033 0.387884 0.462745 Li\n0.224582 0.891166 0.961812 Li\n0.756588 0.016445 0.833509 Li\n0.248903 0.983831 0.169109 Li\n0.774747 0.106075 0.038776 Li\n0.277046 0.611628 0.537682 Li\n0.698070 0.783509 0.364340 Li\n0.201853 0.279325 0.867766 Li\n0.741502 0.483051 0.665236 Li\n0.218358 0.361939 0.077932 Mn\n0.283445 0.138751 0.424062 Mn\n0.719778 0.865085 0.574399 Mn\n0.520647 0.869264 0.174281 Mn\n0.977797 0.631647 0.325171 V\n0.476033 0.123995 0.825543 V\n0.779444 0.632010 0.925149 V\n0.023955 0.373822 0.673823 V\n0.083177 0.625951 0.123098 P\n0.023866 0.270266 0.479751 P\n0.523160 0.475994 0.274763 P\n0.020509 0.977557 0.770225 P\n0.588386 0.123692 0.627696 P\n0.519637 0.763725 0.980378 P\n0.479151 0.233593 0.017720 P\n0.412184 0.877085 0.375230 P\n0.978880 0.023262 0.228534 P\n0.477339 0.518066 0.731269 P\n0.980316 0.736458 0.518849 P\n0.912386 0.372478 0.871812 P\n0.251499 0.800458 0.101023 O\n0.064073 0.573514 0.229703 O\n0.625519 0.826043 0.071542 O\n0.118329 0.325852 0.576828 O\n0.480493 0.628540 0.276723 O\n0.091099 0.479050 0.096218 O\n0.184525 0.302056 0.432493 O\n0.724286 0.552597 0.258136 O\n0.221088 0.050939 0.755781 O\n0.503013 0.355543 0.377253 O\n0.401139 0.384128 0.199446 O\n0.765254 0.295973 0.606234 O\n0.920403 0.666007 0.058803 O\n0.432517 0.172103 0.569801 O\n0.105136 0.117955 0.301811 O\n0.574306 0.068755 0.735681 O\n0.932652 0.394711 0.417708 O\n0.425933 0.886356 0.916986 O\n0.004567 0.140299 0.124630 O\n0.612020 0.426493 0.996688 O\n0.116976 0.922597 0.502739 O\n0.978367 0.134342 0.769193 O\n0.323257 0.205758 0.066352 O\n0.407575 0.019963 0.408120 O\n0.594999 0.977815 0.598728 O\n0.672258 0.788144 0.927725 O\n0.021773 0.866536 0.228651 O\n0.887808 0.084389 0.495952 O\n0.382068 0.576954 0.998617 O\n0.993885 0.858594 0.873067 O\n0.580477 0.121711 0.078763 O\n0.071129 0.611411 0.582989 O\n0.426809 0.932916 0.269371 O\n0.896214 0.883534 0.696371 O\n0.567322 0.826548 0.436743 O\n0.068941 0.328480 0.931307 O\n0.234882 0.703843 0.395965 O\n0.609440 0.611508 0.806468 O\n0.498766 0.634773 0.629886 O\n0.782151 0.950135 0.244208 O\n0.279127 0.446161 0.749026 O\n0.821484 0.706082 0.567877 O\n0.898909 0.518371 0.900648 O\n0.521755 0.362501 0.733324 O\n0.883630 0.678288 0.423975 O\n0.382793 0.176662 0.921849 O\n0.926543 0.431279 0.764529 O\n0.736636 0.201710 0.893906 O\n",
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"formula_full": "Li12 Mn4 V4 P12 O48",
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},
{
"id": "mp-690382",
"created_at": "2022-09-04T14:42:26.813141Z",
"structure_string": "Na18 Mg6 Zr6 P18 O72\n1.0\n9.069827 0.000000 0.000000\n-4.520653 7.874029 0.000000\n-0.035455 -0.079427 22.205031\nNa Mg Zr P O\n18 6 6 18 72\ndirect\n0.665094 0.324885 0.672655 Na\n0.119500 0.222198 0.871137 Na\n0.339095 0.683207 0.832320 Na\n0.545256 0.085923 0.793950 Na\n0.343653 0.667644 0.339039 Na\n0.081688 0.542565 0.708393 Na\n0.038047 0.724972 0.917752 Na\n0.783850 0.568304 0.534838 Na\n0.006736 0.017791 0.498653 Na\n0.210994 0.416144 0.459925 Na\n0.749781 0.883793 0.372394 Na\n0.709380 0.038748 0.584118 Na\n0.904328 0.431651 0.296597 Na\n0.466079 0.915468 0.204292 Na\n0.686029 0.323425 0.165135 Na\n0.895874 0.778782 0.120636 Na\n0.401915 0.185910 0.036388 Na\n0.364780 0.355292 0.256525 Na\n0.129511 0.866830 0.781527 Mg\n0.868999 0.128701 0.715966 Mg\n0.867492 0.137617 0.214098 Mg\n0.795185 0.198106 0.448995 Mg\n0.531916 0.460851 0.383646 Mg\n0.197602 0.801271 0.048897 Mg\n0.805809 0.180214 0.954846 Zr\n0.533888 0.479362 0.880415 Zr\n0.470558 0.523028 0.621522 Zr\n0.199499 0.815338 0.548522 Zr\n0.141422 0.868945 0.287223 Zr\n0.463782 0.531285 0.116375 Zr\n0.802868 0.901946 0.844000 P\n0.289258 0.288000 0.750613 P\n0.233537 0.479018 0.982632 P\n0.433818 0.866599 0.683226 P\n0.371167 0.037316 0.915115 P\n0.473560 0.238409 0.513418 P\n0.870572 0.429930 0.819097 P\n0.955773 0.622619 0.416525 P\n0.902232 0.804206 0.651713 P\n0.093607 0.206555 0.348633 P\n0.033015 0.372186 0.582728 P\n0.126902 0.568889 0.181108 P\n0.534819 0.763642 0.484976 P\n0.621888 0.965885 0.085956 P\n0.571556 0.137492 0.317789 P\n0.766743 0.525621 0.015511 P\n0.701660 0.706495 0.250158 P\n0.196914 0.097339 0.152337 P\n0.714792 0.454038 0.834143 O\n0.671132 0.545075 0.960675 O\n0.839178 0.010756 0.902953 O\n0.386974 0.215001 0.902869 O\n0.772660 0.992095 0.791659 O\n0.633774 0.731030 0.855246 O\n0.418541 0.373204 0.697472 O\n0.366321 0.412695 0.806273 O\n0.336438 0.503651 0.923412 O\n0.459963 0.712795 0.668932 O\n0.603230 0.034901 0.687910 O\n0.556351 0.073729 0.925187 O\n0.118924 0.277966 0.737637 O\n0.379447 0.786673 0.500596 O\n0.067117 0.306647 0.974061 O\n0.205704 0.627467 0.992740 O\n0.326893 0.824112 0.740795 O\n0.337061 0.880241 0.627061 O\n0.299251 0.918165 0.859942 O\n0.511403 0.343424 0.574000 O\n0.051620 0.549280 0.568528 O\n0.259464 0.961202 0.970703 O\n0.446347 0.334628 0.462536 O\n0.302400 0.067785 0.523149 O\n0.035415 0.602704 0.812370 O\n0.891777 0.335284 0.873432 O\n0.078444 0.700314 0.361021 O\n0.280431 0.120093 0.765279 O\n0.824502 0.325117 0.760068 O\n0.036547 0.747690 0.471287 O\n0.997661 0.775888 0.702740 O\n0.998477 0.831596 0.589356 O\n0.118921 0.050123 0.333037 O\n0.268994 0.369395 0.356800 O\n0.956166 0.875735 0.837094 O\n0.216884 0.406276 0.595584 O\n0.784263 0.610935 0.404315 O\n0.045045 0.119054 0.166078 O\n0.732243 0.629245 0.640502 O\n0.866107 0.950370 0.658716 O\n0.991828 0.159210 0.408070 O\n0.002388 0.231158 0.294885 O\n0.964405 0.250955 0.528019 O\n0.178439 0.677521 0.241398 O\n0.720352 0.879674 0.236858 O\n0.916359 0.299749 0.638033 O\n0.110239 0.668884 0.129649 O\n0.963168 0.401610 0.193555 O\n0.700796 0.935714 0.479429 O\n0.556093 0.666787 0.539247 O\n0.742197 0.035572 0.031175 O\n0.944216 0.451463 0.428906 O\n0.490734 0.660033 0.425998 O\n0.699278 0.079756 0.141456 O\n0.665168 0.109869 0.370142 O\n0.670385 0.171510 0.257508 O\n0.778330 0.363770 0.004581 O\n0.936709 0.687068 0.023653 O\n0.625167 0.210046 0.505538 O\n0.881443 0.726052 0.261935 O\n0.447202 0.944720 0.073535 O\n0.398405 0.962938 0.308130 O\n0.537047 0.285493 0.327514 O\n0.654548 0.488906 0.073800 O\n0.627941 0.581419 0.194475 O\n0.581054 0.624750 0.304213 O\n0.367061 0.273779 0.145557 O\n0.233661 0.015271 0.208950 O\n0.601960 0.785452 0.099565 O\n0.170632 0.993230 0.095449 O\n0.330801 0.453087 0.036649 O\n0.284167 0.541113 0.170322 O\n",
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},
{
"id": "mp-1223539",
"created_at": "2022-09-04T14:47:28.738037Z",
"structure_string": "K1 Mg3 Al1 Si3 O12\n1.0\n5.379225 0.000000 0.000000\n2.654025 4.712653 0.000000\n1.685220 0.142939 10.124105\nK Mg Al Si O\n1 3 1 3 12\ndirect\n0.492841 0.999432 0.020774 K\n0.323088 0.351729 0.496237 Mg\n0.679310 0.652429 0.493969 Mg\n0.010139 0.996863 0.496503 Mg\n0.755015 0.327769 0.225352 Al\n0.092957 0.665214 0.220027 Si\n0.241791 0.667357 0.775460 Si\n0.909747 0.333459 0.775346 Si\n0.431547 0.504726 0.159309 O\n0.944641 0.507024 0.162642 O\n0.558699 0.500387 0.832722 O\n0.058788 0.497354 0.836029 O\n0.377618 0.000405 0.411511 O\n0.620427 0.005978 0.583805 O\n0.950680 0.988520 0.161115 O\n0.058680 0.998751 0.832907 O\n0.704782 0.328810 0.400479 O\n0.046766 0.664175 0.384110 O\n0.285275 0.669281 0.615938 O\n0.957208 0.340336 0.615767 O\n",
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"formula_full": "K1 Mg3 Al1 Si3 O12",
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},
{
"id": "mp-1177586",
"created_at": "2022-09-04T14:47:28.108710Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.999337 0.095260 -0.059112\n3.880084 -7.525961 0.045328\n4.072700 2.308725 -13.906855\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.143103 0.259422 0.333523 Li\n0.154974 0.794678 0.132709 Li\n0.145616 0.298770 0.630736 Li\n0.147480 0.726629 0.458338 Li\n0.147882 0.229562 0.959915 Li\n0.146890 0.761851 0.833344 Li\n0.852616 0.240095 0.168037 Li\n0.854613 0.769029 0.040301 Li\n0.852590 0.272694 0.540399 Li\n0.852743 0.701255 0.368665 Li\n0.849741 0.201886 0.869141 Li\n0.850269 0.740728 0.667013 Li\n0.043227 0.979306 0.325768 Mn\n0.563436 0.222577 0.072398 Mn\n0.557484 0.727701 0.573229 Mn\n0.438224 0.775153 0.926809 Mn\n0.046021 0.477260 0.825259 V\n0.436210 0.282216 0.427008 V\n0.956328 0.520866 0.174902 V\n0.950628 0.024393 0.674773 V\n0.254698 0.085203 0.122791 P\n0.245214 0.023910 0.475839 P\n0.253529 0.517371 0.268341 P\n0.246397 0.026331 0.768892 P\n0.249351 0.589346 0.624518 P\n0.251485 0.522676 0.977798 P\n0.749825 0.476958 0.022417 P\n0.748276 0.419461 0.378239 P\n0.757143 0.970707 0.231438 P\n0.750795 0.475664 0.731074 P\n0.745132 0.981343 0.521286 P\n0.746370 0.913053 0.877339 P\n0.102755 0.256211 0.103152 O\n0.197215 0.067664 0.230537 O\n0.097063 0.617846 0.077600 O\n0.090431 0.119522 0.575772 O\n0.099535 0.474073 0.267266 O\n0.427028 0.093738 0.095580 O\n0.261362 0.182209 0.430568 O\n0.203068 0.709853 0.249652 O\n0.194908 0.220815 0.748612 O\n0.266672 0.496293 0.371025 O\n0.427687 0.381427 0.193679 O\n0.098140 0.759615 0.603692 O\n0.272029 0.924401 0.059052 O\n0.265967 0.428789 0.561810 O\n0.586526 0.104172 0.307091 O\n0.190856 0.573635 0.732648 O\n0.185792 0.929332 0.411398 O\n0.188785 0.432420 0.914367 O\n0.752972 0.989711 0.128416 O\n0.582773 0.610687 0.008487 O\n0.579684 0.113872 0.503689 O\n0.094816 0.980267 0.765881 O\n0.736326 0.316053 0.068428 O\n0.578874 0.406628 0.403215 O\n0.421639 0.597574 0.597379 O\n0.264485 0.683952 0.931779 O\n0.913874 0.013360 0.233365 O\n0.410119 0.886402 0.490588 O\n0.418795 0.389146 0.991422 O\n0.255948 0.009560 0.871076 O\n0.812551 0.567289 0.085742 O\n0.804170 0.073828 0.585435 O\n0.807307 0.433249 0.269539 O\n0.420659 0.892778 0.693365 O\n0.725260 0.584467 0.441100 O\n0.728085 0.074793 0.940750 O\n0.900857 0.253581 0.398643 O\n0.576550 0.607600 0.806974 O\n0.742023 0.493483 0.628744 O\n0.808414 0.776306 0.250574 O\n0.803783 0.280352 0.750422 O\n0.727275 0.824416 0.569388 O\n0.575237 0.903124 0.903003 O\n0.902354 0.521765 0.734261 O\n0.903120 0.880278 0.423411 O\n0.904733 0.380939 0.922582 O\n0.805019 0.931271 0.769478 O\n0.898189 0.743155 0.897125 O\n",
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"elements": [
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],
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"density": 2.8969238689794223,
"density_atomic": 0.08476665908101626,
"volume": 943.7672885460722,
"volume_molar": 7.104374320384978,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
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"updated_at": "2021-11-28T01:38:08.240000Z",
"spacegroup": 1
}
]
}