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{
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"results": [
{
"id": "mp-1042062",
"created_at": "2022-09-04T14:45:14.947535Z",
"structure_string": "Zn2 Cr2 P4 O14\n1.0\n5.512226 -0.061546 0.211628\n2.074261 6.112487 0.945310\n0.027000 0.105219 7.593290\nZn Cr P O\n2 2 4 14\ndirect\n0.328484 0.656559 0.644339 Zn\n0.671683 0.343276 0.355672 Zn\n0.718200 0.844796 0.822746 Cr\n0.281914 0.156162 0.176527 Cr\n0.187087 0.682478 0.096785 P\n0.812847 0.317552 0.903373 P\n0.217642 0.202460 0.613501 P\n0.782296 0.797317 0.386541 P\n0.092847 0.693159 0.906451 O\n0.907456 0.306943 0.093610 O\n0.304996 0.857942 0.115231 O\n0.694448 0.142309 0.885034 O\n0.361493 0.450820 0.170965 O\n0.638816 0.549144 0.828961 O\n0.612200 0.648928 0.432851 O\n0.387526 0.351014 0.567125 O\n0.033073 0.219739 0.464327 O\n0.966696 0.780012 0.535884 O\n0.071812 0.285030 0.788752 O\n0.928209 0.714556 0.211390 O\n0.621888 0.037745 0.324252 O\n0.378392 0.962056 0.675680 O\n",
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"formula_full": "Zn2 Cr2 P4 O14",
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{
"id": "mp-1245222",
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"structure_string": "Zn50 S50\n1.0\n13.738424 -0.462886 0.089898\n-0.444030 13.681891 -0.361338\n0.075668 -0.367714 12.890319\nZn S\n50 50\ndirect\n0.317209 0.703819 0.329638 Zn\n0.491093 0.458333 0.390412 Zn\n0.865159 0.987323 0.725052 Zn\n0.615262 0.197377 0.178458 Zn\n0.251393 0.006439 0.415470 Zn\n0.504977 0.956005 0.235787 Zn\n0.763437 0.989203 0.270047 Zn\n0.287402 0.100936 0.256989 Zn\n0.660375 0.449311 0.763465 Zn\n0.768911 0.739730 0.166561 Zn\n0.558274 0.187384 0.952336 Zn\n0.601248 0.777450 0.973198 Zn\n0.137818 0.337965 0.524369 Zn\n0.738322 0.236446 0.916179 Zn\n0.739091 0.903468 0.821812 Zn\n0.537798 0.584524 0.129770 Zn\n0.299554 0.705295 0.856213 Zn\n0.120097 0.107399 0.657421 Zn\n0.278814 0.193709 0.956961 Zn\n0.892897 0.535267 0.772255 Zn\n0.376378 0.947129 0.975810 Zn\n0.219231 0.937956 0.756644 Zn\n0.618401 0.528727 0.601220 Zn\n0.384131 0.780983 0.640954 Zn\n0.812995 0.658768 0.485941 Zn\n0.076547 0.705750 0.052048 Zn\n0.514829 0.455479 0.900624 Zn\n0.873496 0.159136 0.436362 Zn\n0.898438 0.284312 0.720147 Zn\n0.478887 0.359352 0.738084 Zn\n0.760582 0.625265 0.718897 Zn\n0.400426 0.145837 0.686911 Zn\n0.912020 0.127915 0.144636 Zn\n0.458101 0.260732 0.115672 Zn\n0.524268 0.665989 0.695157 Zn\n0.498353 0.848419 0.771790 Zn\n0.662648 0.106714 0.787670 Zn\n0.311151 0.468420 0.398341 Zn\n0.093035 0.559337 0.870299 Zn\n0.215707 0.876210 0.230831 Zn\n0.938534 0.526153 0.113602 Zn\n0.567720 0.725651 0.414758 Zn\n0.285151 0.462082 0.061246 Zn\n0.979988 0.736537 0.307574 Zn\n0.050231 0.598914 0.565067 Zn\n0.117279 0.470439 0.278119 Zn\n0.006550 0.089417 0.888352 Zn\n0.086697 0.294882 0.059631 Zn\n0.667025 0.239902 0.609790 Zn\n0.437809 0.546001 0.550896 Zn\n0.433370 0.794103 0.939960 S\n0.817957 0.242286 0.077707 S\n0.972921 0.717245 0.490557 S\n0.248276 0.019701 0.914345 S\n0.266626 0.540917 0.236515 S\n0.042247 0.984794 0.748881 S\n0.060932 0.825582 0.175677 S\n0.864518 0.623216 0.235973 S\n0.680995 0.072896 0.601856 S\n0.046435 0.242179 0.623442 S\n0.953258 0.609578 0.963833 S\n0.686137 0.931272 0.005110 S\n0.228659 0.772027 0.716563 S\n0.456410 0.440999 0.067861 S\n0.658167 0.742903 0.788415 S\n0.002355 0.391286 0.179255 S\n0.803348 0.903588 0.102061 S\n0.742077 0.313136 0.196112 S\n0.409033 0.701181 0.480105 S\n0.198427 0.354266 0.944915 S\n0.554561 0.800849 0.253121 S\n0.797885 0.395763 0.841865 S\n0.355881 0.960113 0.160951 S\n0.782368 0.834711 0.342081 S\n0.293049 0.221254 0.135960 S\n0.271596 0.047176 0.613691 S\n0.439319 0.706716 0.197402 S\n0.491286 0.302051 0.312247 S\n0.614419 0.570167 0.333393 S\n0.047931 0.505693 0.707930 S\n0.668520 0.649634 0.045790 S\n0.867685 0.153608 0.822544 S\n0.537736 0.003107 0.846393 S\n0.920325 0.062940 0.300237 S\n0.140947 0.490573 0.458436 S\n0.250338 0.298629 0.386595 S\n0.714405 0.795090 0.482803 S\n0.620313 0.069568 0.289920 S\n0.505511 0.255299 0.596044 S\n0.357001 0.472287 0.697471 S\n0.409975 0.578083 0.809539 S\n0.223059 0.828311 0.395583 S\n0.801799 0.346289 0.594588 S\n0.209763 0.623274 0.983390 S\n0.710361 0.517677 0.441270 S\n0.822505 0.042961 0.559309 S\n0.379201 0.220396 0.385595 S\n0.839670 0.315414 0.439240 S\n0.417378 0.226565 0.849423 S\n0.054714 0.125297 0.051167 S\n",
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"elements": [
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"density_atomic": 0.041349276212779125,
"volume": 2418.4220174836987,
"volume_molar": 14.564077806370014,
"formula_full": "Zn50 S50",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy": -330.10597963,
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"updated_at": "2021-11-28T01:37:07.125000Z",
"spacegroup": 1
},
{
"id": "mp-777694",
"created_at": "2022-09-04T14:45:14.984315Z",
"structure_string": "Li4 Ti3 V5 O16\n1.0\n5.909048 0.000000 0.000000\n-2.933056 5.163675 0.000000\n-0.094387 -0.161378 9.669659\nLi Ti V O\n4 3 5 16\ndirect\n0.332136 0.662226 0.104986 Li\n0.004100 0.007295 0.005041 Li\n0.997485 0.997410 0.502615 Li\n0.666538 0.332128 0.605577 Li\n0.161553 0.823260 0.783981 Ti\n0.660566 0.828249 0.783602 Ti\n0.829933 0.657955 0.278323 Ti\n0.328541 0.663604 0.512278 V\n0.170629 0.341919 0.789945 V\n0.664612 0.326569 0.012698 V\n0.817033 0.159075 0.289511 V\n0.341024 0.166341 0.290917 V\n0.165381 0.835520 0.398276 O\n0.478934 0.959602 0.662170 O\n0.348273 0.693007 0.897811 O\n0.994058 0.991177 0.687725 O\n0.988948 0.990268 0.189646 O\n0.671959 0.837079 0.394496 O\n0.035713 0.525630 0.664330 O\n0.484585 0.525451 0.660983 O\n0.840419 0.679909 0.895006 O\n0.154525 0.323874 0.396835 O\n0.519800 0.476835 0.161128 O\n0.959911 0.479308 0.161771 O\n0.686730 0.351900 0.400188 O\n0.329071 0.165927 0.898574 O\n0.529143 0.031922 0.166244 O\n0.838100 0.166557 0.897503 O\n",
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"elements": [
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"Ti",
"V",
"O"
],
"chemical_system": "Li-O-Ti-V",
"density": 3.8387156900039288,
"density_atomic": 0.09490092694717228,
"volume": 295.04453645206786,
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"formula_full": "Li4 Ti3 V5 O16",
"formula_reduced": "Li4Ti3V5O16",
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"energy": -233.16001896999995,
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"updated_at": "2021-11-28T01:36:53.618000Z",
"spacegroup": 1
},
{
"id": "mp-1200445",
"created_at": "2022-09-04T14:47:12.560633Z",
"structure_string": "Ni2 P4 H28 O24\n1.0\n0.000000 -5.962836 0.000000\n-9.258379 0.000000 0.898456\n-0.105670 0.000000 -9.852935\nNi P H O\n2 4 28 24\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.355212 0.570121 0.029196 P\n0.144788 0.070121 0.529196 P\n0.644788 0.429879 0.970804 P\n0.855212 0.929879 0.470804 P\n0.055239 0.450263 0.105509 H\n0.444761 0.950263 0.605509 H\n0.944761 0.549737 0.894491 H\n0.555239 0.049737 0.394491 H\n0.807075 0.110780 0.227768 H\n0.692925 0.610780 0.727768 H\n0.192925 0.889220 0.772232 H\n0.307075 0.389220 0.272232 H\n0.837409 0.241084 0.130763 H\n0.662591 0.741084 0.630763 H\n0.162591 0.758916 0.869237 H\n0.337409 0.258916 0.369237 H\n0.351014 0.886942 0.110824 H\n0.148986 0.386942 0.610824 H\n0.648986 0.113058 0.889176 H\n0.851014 0.613058 0.389176 H\n0.273414 0.021535 0.209847 H\n0.226586 0.521535 0.709847 H\n0.726586 0.978465 0.790153 H\n0.773414 0.478465 0.290153 H\n0.723509 0.789551 0.085475 H\n0.776491 0.289551 0.585475 H\n0.276491 0.210449 0.914525 H\n0.223509 0.710449 0.414525 H\n0.910441 0.817481 0.196103 H\n0.589559 0.317481 0.696103 H\n0.089559 0.182519 0.803897 H\n0.410441 0.682519 0.303897 H\n0.445511 0.704718 0.109777 O\n0.054489 0.204718 0.609777 O\n0.554489 0.295282 0.890223 O\n0.945511 0.795282 0.390223 O\n0.210195 0.588969 0.903149 O\n0.289805 0.088969 0.403149 O\n0.789805 0.411031 0.096851 O\n0.710195 0.911031 0.596851 O\n0.215968 0.476971 0.129951 O\n0.284032 0.976971 0.629951 O\n0.784032 0.523029 0.870049 O\n0.715968 0.023029 0.370049 O\n0.895901 0.145908 0.153309 O\n0.604099 0.645908 0.653309 O\n0.104099 0.854092 0.846691 O\n0.395901 0.354092 0.346691 O\n0.294120 0.987269 0.113244 O\n0.205880 0.487269 0.613244 O\n0.705880 0.012731 0.886756 O\n0.794120 0.512731 0.386756 O\n0.880747 0.820576 0.097847 O\n0.619253 0.320576 0.597847 O\n0.119253 0.179424 0.902153 O\n0.380747 0.679424 0.402153 O\n",
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],
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"formula_full": "Ni2 P4 H28 O24",
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"updated_at": "2021-11-28T01:37:55.237000Z",
"spacegroup": 14
},
{
"id": "mp-1207271",
"created_at": "2022-09-04T14:47:12.568640Z",
"structure_string": "Sr2 I2 F1\n1.0\n5.347651 0.000000 0.000000\n0.000000 5.347651 0.000000\n0.000000 0.000000 14.943593\nSr I F\n2 2 1\ndirect\n0.500000 0.500000 0.154023 Sr\n0.500000 0.500000 0.845977 Sr\n0.500000 0.500000 0.649131 I\n0.500000 0.500000 0.350869 I\n0.500000 0.500000 0.000000 F\n",
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],
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"density_atomic": 0.011700080793082306,
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"formula_full": "Sr2 I2 F1",
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"energy": -15.62455319,
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},
{
"id": "mp-1178343",
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"structure_string": "Fe10 O11 F9\n1.0\n4.761088 0.000000 0.000000\n0.323313 4.755290 0.000000\n0.019786 0.029330 15.335531\nFe O F\n10 11 9\ndirect\n0.004204 0.014948 0.002204 Fe\n0.004782 0.015635 0.795038 Fe\n0.043543 0.995597 0.601044 Fe\n0.002711 0.022774 0.408022 Fe\n0.037985 0.984229 0.195909 Fe\n0.505937 0.509193 0.899053 Fe\n0.463352 0.487072 0.496670 Fe\n0.464410 0.485647 0.704394 Fe\n0.499660 0.520282 0.305346 Fe\n0.461250 0.481520 0.093517 Fe\n0.191549 0.188811 0.702337 O\n0.192006 0.192329 0.502173 O\n0.188091 0.185772 0.098719 O\n0.301368 0.698699 0.993418 O\n0.303172 0.701530 0.806009 O\n0.317658 0.681601 0.602182 O\n0.289725 0.705359 0.398312 O\n0.318041 0.679520 0.199226 O\n0.691389 0.310215 0.994826 O\n0.692945 0.312210 0.804296 O\n0.691602 0.308432 0.398604 O\n0.191009 0.198532 0.899205 F\n0.194183 0.194861 0.297743 F\n0.700713 0.292850 0.602457 F\n0.704282 0.288329 0.199632 F\n0.811237 0.819817 0.899307 F\n0.806059 0.805402 0.503732 F\n0.809427 0.803200 0.700456 F\n0.807220 0.802185 0.100021 F\n0.810492 0.813450 0.296146 F\n",
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"formula_full": "Fe10 O11 F9",
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{
"id": "mp-1196194",
"created_at": "2022-09-04T14:45:14.940135Z",
"structure_string": "Zr2 Cl8 O32\n1.0\n-7.145381 0.376085 -4.242954\n-7.145381 0.376085 4.242954\n-5.205110 13.921711 0.000000\nZr Cl O\n2 8 32\ndirect\n0.576784 0.666659 0.908722 Zr\n0.666659 0.576784 0.408722 Zr\n0.613497 0.274900 0.983243 Cl\n0.274900 0.613497 0.483243 Cl\n0.978062 0.594362 0.828434 Cl\n0.594362 0.978062 0.328434 Cl\n0.426261 0.957334 0.743211 Cl\n0.957334 0.426261 0.243211 Cl\n0.020795 0.156670 0.055909 Cl\n0.156670 0.020795 0.555909 Cl\n0.550850 0.415511 0.892323 O\n0.415511 0.550850 0.392323 O\n0.676591 0.385569 0.019020 O\n0.385569 0.676591 0.519020 O\n0.835322 0.684563 0.914098 O\n0.684563 0.835322 0.414098 O\n0.860669 0.534108 0.799444 O\n0.534108 0.860669 0.299444 O\n0.514417 0.963175 0.815854 O\n0.963175 0.514417 0.315854 O\n0.446260 0.753973 0.779300 O\n0.753973 0.446260 0.279300 O\n0.309278 0.716188 0.999829 O\n0.716188 0.309278 0.499829 O\n0.493011 0.804722 0.021091 O\n0.804722 0.493011 0.521091 O\n0.771398 0.109093 0.959160 O\n0.109093 0.771398 0.459160 O\n0.459956 0.242136 0.053771 O\n0.242136 0.459956 0.553771 O\n0.134315 0.436443 0.862757 O\n0.436443 0.134315 0.362757 O\n0.028533 0.731642 0.750864 O\n0.731642 0.028533 0.250864 O\n0.232853 0.082772 0.755053 O\n0.082772 0.232853 0.255053 O\n0.533402 0.984925 0.645749 O\n0.984925 0.533402 0.145749 O\n0.296582 0.706088 0.137160 O\n0.706088 0.296582 0.637160 O\n0.215827 0.037107 0.082108 O\n0.037107 0.215827 0.582108 O\n",
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