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{
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"results": [
{
"id": "mp-1106295",
"created_at": "2022-09-04T14:44:16.023357Z",
"structure_string": "Rb2 Gd4 Cu4 S9\n1.0\n0.000000 -4.081577 0.000000\n-7.032428 -2.040789 0.000000\n-1.610248 -2.040789 -15.228511\nRb Gd Cu S\n2 4 4 9\ndirect\n0.972662 0.284916 0.769760 Rb\n0.027338 0.715084 0.230240 Rb\n0.766950 0.862506 0.603593 Gd\n0.233050 0.137494 0.396407 Gd\n0.346344 0.253540 0.053773 Gd\n0.653656 0.746460 0.946227 Gd\n0.751055 0.269615 0.228274 Cu\n0.248945 0.730385 0.771726 Cu\n0.566263 0.326439 0.541036 Cu\n0.433738 0.673561 0.458964 Cu\n0.858851 0.856260 0.426038 S\n0.141149 0.143740 0.573962 S\n0.705233 0.488428 0.101106 S\n0.294767 0.511572 0.898894 S\n0.608408 0.406643 0.376541 S\n0.391592 0.593357 0.623459 S\n0.342006 0.093631 0.222357 S\n0.657994 0.906369 0.777643 S\n0.000000 0.000000 0.000000 S\n",
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{
"id": "mp-777373",
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"structure_string": "Li5 Fe8 B8 O24\n1.0\n-5.256188 0.000000 0.000000\n-0.014144 -9.085713 0.000000\n2.529948 4.491693 10.133269\nLi Fe B O\n5 8 8 24\ndirect\n0.167569 0.841216 0.662013 Li\n0.607631 0.943549 0.904258 Li\n0.928373 0.573744 0.166511 Li\n0.676474 0.345850 0.663412 Li\n0.424816 0.067260 0.166254 Li\n0.399687 0.718541 0.129937 Fe\n0.091150 0.761458 0.879371 Fe\n0.845950 0.861234 0.381844 Fe\n0.649479 0.657220 0.625294 Fe\n0.349082 0.359799 0.383366 Fe\n0.149987 0.161598 0.629745 Fe\n0.909213 0.220769 0.130522 Fe\n0.597748 0.276734 0.880526 Fe\n0.648920 0.987161 0.632456 B\n0.899699 0.895655 0.129499 B\n0.143528 0.483648 0.624461 B\n0.399546 0.392156 0.128024 B\n0.847548 0.519640 0.374481 B\n0.592294 0.607414 0.876297 B\n0.346931 0.019553 0.376370 B\n0.107330 0.103115 0.875702 B\n0.140662 0.884273 0.099139 O\n0.477166 0.881441 0.342919 O\n0.222971 0.967063 0.866885 O\n0.513802 0.866095 0.640797 O\n0.880641 0.960998 0.586724 O\n0.811437 0.788489 0.176646 O\n0.259218 0.518292 0.132019 O\n0.058149 0.636843 0.661248 O\n0.701410 0.717271 0.838000 O\n0.625352 0.521076 0.419952 O\n0.937545 0.651149 0.359673 O\n0.383109 0.646453 0.931204 O\n0.634148 0.373279 0.082428 O\n0.382193 0.457564 0.582851 O\n0.318559 0.277723 0.170092 O\n0.978505 0.380953 0.337396 O\n0.694917 0.461779 0.855450 O\n0.224389 0.215345 0.843072 O\n0.126344 0.023629 0.424466 O\n0.438669 0.149529 0.360165 O\n0.006735 0.359862 0.628590 O\n0.742159 0.010729 0.109345 O\n0.564709 0.143162 0.673527 O\n0.866452 0.132241 0.913418 O\n",
"nsites": 45,
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"B",
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],
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"density": 3.2664691322868444,
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"volume": 483.9265795228396,
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"formula_full": "Li5 Fe8 B8 O24",
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"updated_at": "2021-11-28T01:36:25.162000Z",
"spacegroup": 1
},
{
"id": "mp-1175401",
"created_at": "2022-09-04T14:44:16.065098Z",
"structure_string": "Li9 Co7 O16\n1.0\n5.016700 0.000000 0.000000\n0.811485 5.017742 0.000000\n0.778668 1.723923 10.931871\nLi Co O\n9 7 16\ndirect\n0.745845 0.195717 0.818986 Li\n0.245911 0.059555 0.941568 Li\n0.252950 0.311033 0.689004 Li\n0.749476 0.439628 0.563918 Li\n0.250524 0.560372 0.436082 Li\n0.747050 0.688967 0.310996 Li\n0.254155 0.804283 0.181014 Li\n0.754089 0.940445 0.058432 Li\n0.500000 0.500000 0.000000 Li\n0.999813 0.625183 0.875818 Co\n0.000187 0.374817 0.124182 Co\n0.500340 0.255424 0.244124 Co\n0.001298 0.127970 0.372561 Co\n0.500000 0.000000 0.500000 Co\n0.998702 0.872030 0.627439 Co\n0.499660 0.744576 0.755876 Co\n0.143286 0.941273 0.780017 O\n0.638625 0.828076 0.891706 O\n0.621604 0.068398 0.657909 O\n0.120238 0.210265 0.529503 O\n0.619479 0.328361 0.399767 O\n0.144629 0.448803 0.273858 O\n0.640534 0.551794 0.162642 O\n0.104981 0.694803 0.028588 O\n0.359466 0.448206 0.837358 O\n0.895019 0.305197 0.971412 O\n0.855371 0.551197 0.726142 O\n0.380521 0.671639 0.600233 O\n0.879762 0.789735 0.470497 O\n0.378396 0.931602 0.342091 O\n0.856714 0.058727 0.219983 O\n0.361375 0.171924 0.108294 O\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Co-Li-O",
"density": 4.411036237509655,
"density_atomic": 0.11628642576097462,
"volume": 275.1825915242732,
"volume_molar": 5.178713440189863,
"formula_full": "Li9 Co7 O16",
"formula_reduced": "Li9Co7O16",
"formula_anonymous": "A7B9C16",
"energy": -201.14040679,
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"updated_at": "2021-11-28T01:36:32.586000Z",
"spacegroup": 2
},
{
"id": "mp-1096017",
"created_at": "2022-09-04T14:44:15.956845Z",
"structure_string": "Na1 Hg2 Sb1\n1.0\n-6.044120 6.155135 8.693754\n6.044120 -6.155135 8.693754\n6.044120 6.155135 -8.693754\nNa Hg Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.245599 0.245599 Hg\n0.000000 0.754401 0.754401 Hg\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.7007254237105426,
"density_atomic": 0.0030918754569615797,
"volume": 1293.7131704298479,
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"formula_full": "Na1 Hg2 Sb1",
"formula_reduced": "NaHg2Sb",
"formula_anonymous": "ABC2",
"energy": -3.95917493,
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"spacegroup": 71
},
{
"id": "mp-698271",
"created_at": "2022-09-04T14:44:15.959594Z",
"structure_string": "Ca6 Ni4 H16 C20 S16 O52\n1.0\n11.337725 -11.422651 0.000000\n11.337725 11.422651 0.000000\n0.000000 0.000000 7.272740\nCa Ni H C S O\n6 4 16 20 16 52\ndirect\n0.636274 0.363726 0.500000 Ca\n0.136274 0.863726 0.000000 Ca\n0.863726 0.136274 0.000000 Ca\n0.363726 0.636274 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.537801 Ni\n0.000000 0.500000 0.037801 Ni\n0.500000 0.000000 0.962199 Ni\n0.500000 0.000000 0.462199 Ni\n0.738994 0.339495 0.141437 H\n0.160505 0.761006 0.641437 H\n0.839495 0.238994 0.641437 H\n0.261006 0.660505 0.141437 H\n0.761006 0.160505 0.358563 H\n0.339495 0.738994 0.858563 H\n0.660505 0.261006 0.858563 H\n0.238994 0.839495 0.358563 H\n0.687901 0.423329 0.130795 H\n0.076671 0.812099 0.630795 H\n0.923329 0.187901 0.630795 H\n0.312099 0.576671 0.130795 H\n0.812099 0.076671 0.369205 H\n0.423329 0.687901 0.869205 H\n0.576671 0.312099 0.869205 H\n0.187901 0.923329 0.369205 H\n0.840417 0.389951 0.551794 C\n0.110049 0.659583 0.051794 C\n0.889951 0.340417 0.051794 C\n0.159583 0.610049 0.551794 C\n0.659583 0.110049 0.948206 C\n0.389951 0.840417 0.448206 C\n0.610049 0.159583 0.448206 C\n0.340417 0.889951 0.948206 C\n0.806521 0.479089 0.549536 C\n0.020911 0.693479 0.049536 C\n0.979089 0.306521 0.049536 C\n0.193479 0.520911 0.549536 C\n0.693479 0.020911 0.950464 C\n0.479089 0.806521 0.450464 C\n0.520911 0.193479 0.450464 C\n0.306521 0.979089 0.950464 C\n0.500000 0.500000 0.606583 C\n0.000000 0.000000 0.106583 C\n0.000000 0.000000 0.893417 C\n0.500000 0.500000 0.393417 C\n0.944833 0.372746 0.536017 S\n0.127254 0.555167 0.036017 S\n0.872746 0.444833 0.036017 S\n0.055167 0.627254 0.536017 S\n0.555167 0.127254 0.963983 S\n0.372746 0.944833 0.463983 S\n0.627254 0.055167 0.463983 S\n0.444833 0.872746 0.963983 S\n0.875445 0.561765 0.546598 S\n0.938235 0.624555 0.046598 S\n0.061765 0.375445 0.046598 S\n0.124555 0.438235 0.546598 S\n0.624555 0.938235 0.953402 S\n0.561765 0.875445 0.453402 S\n0.438235 0.124555 0.453402 S\n0.375445 0.061765 0.953402 S\n0.788317 0.332293 0.564603 O\n0.167707 0.711683 0.064603 O\n0.832293 0.288317 0.064603 O\n0.211683 0.667707 0.564603 O\n0.711683 0.167707 0.935397 O\n0.332293 0.788317 0.435397 O\n0.667707 0.211683 0.435397 O\n0.288317 0.832293 0.935397 O\n0.730103 0.487192 0.550973 O\n0.012808 0.769897 0.050973 O\n0.987192 0.230103 0.050973 O\n0.269897 0.512808 0.550973 O\n0.769897 0.012808 0.949027 O\n0.487192 0.730103 0.449027 O\n0.512808 0.269897 0.449027 O\n0.230103 0.987192 0.949027 O\n0.547863 0.450137 0.690010 O\n0.049863 0.952137 0.190010 O\n0.950137 0.047863 0.190010 O\n0.452137 0.549863 0.690010 O\n0.952137 0.049863 0.809990 O\n0.450137 0.547863 0.309990 O\n0.549863 0.452137 0.309990 O\n0.047863 0.950137 0.809990 O\n0.693993 0.371586 0.199738 O\n0.128414 0.806007 0.699738 O\n0.871586 0.193993 0.699738 O\n0.306007 0.628414 0.199738 O\n0.806007 0.128414 0.300262 O\n0.371586 0.693993 0.800262 O\n0.628414 0.306007 0.800262 O\n0.193993 0.871586 0.300262 O\n0.648808 0.547840 0.048304 O\n0.952160 0.851192 0.548304 O\n0.047840 0.148808 0.548304 O\n0.351192 0.452160 0.048304 O\n0.851192 0.952160 0.451696 O\n0.547840 0.648808 0.951696 O\n0.452160 0.351192 0.951696 O\n0.148808 0.047840 0.451696 O\n0.654404 0.654404 0.500000 O\n0.845596 0.845596 0.000000 O\n0.154404 0.154404 0.000000 O\n0.345596 0.345596 0.500000 O\n0.691646 0.614336 0.040655 O\n0.885664 0.808354 0.540655 O\n0.114336 0.191646 0.540655 O\n0.308354 0.385664 0.040655 O\n0.808354 0.885664 0.459345 O\n0.614336 0.691646 0.959345 O\n0.385664 0.308354 0.959345 O\n0.191646 0.114336 0.459345 O\n",
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],
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"formula_full": "Ca6 Ni4 H16 C20 S16 O52",
"formula_reduced": "Ca3Ni2H8C10(S4O13)2",
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"energy": -718.81841109,
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},
{
"id": "mp-754939",
"created_at": "2022-09-04T14:44:15.970841Z",
"structure_string": "Li6 Cr2 Fe6 O16\n1.0\n5.198350 0.000000 0.000000\n0.826610 7.816993 0.000000\n2.570808 0.871352 7.398217\nLi Cr Fe O\n6 2 6 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.998750 0.617641 0.120107 Li\n0.999639 0.117164 0.625062 Li\n0.000000 0.500000 0.500000 Li\n0.000361 0.882836 0.374938 Li\n0.001250 0.382359 0.879893 Li\n0.491109 0.687689 0.437706 Cr\n0.508891 0.312311 0.562294 Cr\n0.495955 0.433336 0.186553 Fe\n0.517001 0.813136 0.056946 Fe\n0.505462 0.064037 0.307560 Fe\n0.494538 0.935963 0.692440 Fe\n0.482999 0.186864 0.943054 Fe\n0.504045 0.566664 0.813447 Fe\n0.276646 0.021810 0.151488 O\n0.275779 0.413786 0.018124 O\n0.275051 0.654696 0.287524 O\n0.293226 0.281620 0.412231 O\n0.284461 0.901480 0.514819 O\n0.269742 0.159730 0.771380 O\n0.287417 0.516207 0.641752 O\n0.715457 0.219293 0.095176 O\n0.284543 0.780707 0.904824 O\n0.712583 0.483793 0.358248 O\n0.730258 0.840270 0.228620 O\n0.715539 0.098520 0.485181 O\n0.706774 0.718380 0.587769 O\n0.724949 0.345304 0.712476 O\n0.724221 0.586214 0.981876 O\n0.723354 0.978190 0.848512 O\n",
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{
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{
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{
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{
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}