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{
"id": "mp-773515",
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{
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"structure_string": "Rb10 Er2 Mo8 O32\n1.0\n8.111946 0.000000 0.000000\n0.000000 11.428765 0.000000\n0.000000 4.640777 10.687851\nRb Er Mo O\n10 2 8 32\ndirect\n0.385150 0.250000 0.500000 Rb\n0.614850 0.750000 0.500000 Rb\n0.350709 0.841760 0.107056 Rb\n0.350709 0.658240 0.892944 Rb\n0.649291 0.158240 0.892944 Rb\n0.649291 0.341760 0.107056 Rb\n0.868866 0.144615 0.409288 Rb\n0.868866 0.355385 0.590712 Rb\n0.131134 0.855385 0.590712 Rb\n0.131134 0.644615 0.409288 Rb\n0.093642 0.250000 0.000000 Er\n0.906358 0.750000 0.000000 Er\n0.855026 0.943280 0.196780 Mo\n0.855026 0.556720 0.803220 Mo\n0.144974 0.056720 0.803220 Mo\n0.144974 0.443280 0.196780 Mo\n0.349524 0.053565 0.285228 Mo\n0.349524 0.446435 0.714772 Mo\n0.650476 0.946435 0.714772 Mo\n0.650476 0.553565 0.285228 Mo\n0.893597 0.114872 0.117342 O\n0.893597 0.385128 0.882658 O\n0.106403 0.885128 0.882658 O\n0.106403 0.614872 0.117342 O\n0.904641 0.893228 0.357581 O\n0.904641 0.606772 0.642419 O\n0.095359 0.106772 0.642419 O\n0.095359 0.393228 0.357581 O\n0.972260 0.851663 0.126705 O\n0.972260 0.648337 0.873295 O\n0.027740 0.148337 0.873295 O\n0.027740 0.351663 0.126705 O\n0.644089 0.914878 0.178056 O\n0.644089 0.585122 0.821944 O\n0.355911 0.085122 0.821944 O\n0.355911 0.414878 0.178056 O\n0.292026 0.120419 0.116375 O\n0.292026 0.379581 0.883625 O\n0.707974 0.879581 0.883625 O\n0.707974 0.620419 0.116375 O\n0.332719 0.883569 0.350977 O\n0.332719 0.616431 0.649023 O\n0.667281 0.116431 0.649023 O\n0.667281 0.383569 0.350977 O\n0.551013 0.101213 0.312414 O\n0.551013 0.398787 0.687586 O\n0.448987 0.898787 0.687586 O\n0.448987 0.601213 0.312414 O\n0.207349 0.109792 0.367628 O\n0.207349 0.390208 0.632372 O\n0.792651 0.890208 0.632372 O\n0.792651 0.609792 0.367628 O\n",
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],
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"formula_full": "Rb10 Er2 Mo8 O32",
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"spacegroup": 13
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{
"id": "mp-861061",
"created_at": "2022-09-04T14:46:56.266141Z",
"structure_string": "Li4 Si6 Ni6 O20\n1.0\n2.386778 7.825898 0.000000\n-2.386778 7.825898 0.000000\n0.000000 0.577025 10.210660\nLi Si Ni O\n4 6 6 20\ndirect\n0.265510 0.844358 0.027281 Li\n0.844358 0.265510 0.527281 Li\n0.155642 0.734490 0.472719 Li\n0.734490 0.155642 0.972719 Li\n0.843608 0.469273 0.093467 Si\n0.469273 0.843608 0.593467 Si\n0.530727 0.156392 0.406533 Si\n0.156392 0.530727 0.906533 Si\n0.810925 0.189075 0.250000 Si\n0.189075 0.810925 0.750000 Si\n0.380355 0.934825 0.284704 Ni\n0.934825 0.380355 0.784704 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.065175 0.619645 0.215296 Ni\n0.619645 0.065175 0.715296 Ni\n0.044107 0.052614 0.357526 O\n0.644050 0.485955 0.169905 O\n0.052614 0.044107 0.857526 O\n0.485955 0.644050 0.669905 O\n0.182608 0.127810 0.102376 O\n0.612665 0.700634 0.448440 O\n0.127810 0.182608 0.602376 O\n0.700634 0.612665 0.948440 O\n0.751542 0.714431 0.166818 O\n0.714431 0.751542 0.666818 O\n0.285569 0.248458 0.333182 O\n0.248458 0.285569 0.833182 O\n0.299366 0.387335 0.051560 O\n0.872190 0.817392 0.397624 O\n0.387335 0.299366 0.551560 O\n0.817392 0.872190 0.897624 O\n0.514045 0.355950 0.330095 O\n0.947386 0.955893 0.142474 O\n0.355950 0.514045 0.830095 O\n0.955893 0.947386 0.642474 O\n",
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"volume": 381.4433254862236,
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"formula_full": "Li4 Si6 Ni6 O20",
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"updated_at": "2021-11-28T01:37:50.082000Z",
"spacegroup": 15
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{
"id": "mp-1191162",
"created_at": "2022-09-04T14:47:00.974350Z",
"structure_string": "Al4 N4 Cl16\n1.0\n7.319124 0.000000 0.000000\n0.000000 9.570701 0.000000\n0.000000 0.000000 11.435029\nAl N Cl\n4 4 16\ndirect\n0.250000 0.809833 0.067052 Al\n0.250000 0.690167 0.567052 Al\n0.750000 0.190167 0.932948 Al\n0.750000 0.309833 0.432948 Al\n0.250000 0.325146 0.184572 N\n0.250000 0.174854 0.684572 N\n0.750000 0.674854 0.815428 N\n0.750000 0.825146 0.315428 N\n0.250000 0.948112 0.215672 Cl\n0.250000 0.551888 0.715672 Cl\n0.750000 0.051888 0.784328 Cl\n0.750000 0.448112 0.284328 Cl\n0.250000 0.921835 0.903499 Cl\n0.250000 0.578165 0.403499 Cl\n0.750000 0.078165 0.096501 Cl\n0.750000 0.421835 0.596501 Cl\n0.011807 0.679152 0.076535 Cl\n0.488193 0.820848 0.576535 Cl\n0.511807 0.320848 0.923465 Cl\n0.988193 0.179152 0.423465 Cl\n0.988193 0.320848 0.923465 Cl\n0.511807 0.179152 0.423465 Cl\n0.488193 0.679152 0.076535 Cl\n0.011807 0.820848 0.576535 Cl\n",
"nsites": 24,
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"formula_full": "Al4 N4 Cl16",
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},
{
"id": "mp-1017541",
"created_at": "2022-09-04T14:46:59.109232Z",
"structure_string": "Zr1 Ir1\n1.0\n3.136106 0.000000 0.000000\n0.000000 3.136106 0.000000\n0.000000 0.000000 3.663068\nZr Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ir\n",
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"volume": 36.026862959710805,
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{
"id": "mp-1205749",
"created_at": "2022-09-04T14:46:57.754212Z",
"structure_string": "Nd3 Sn3 Ir3\n1.0\n3.751638 -6.498027 0.000000\n3.751638 6.498027 0.000000\n0.000000 0.000000 4.189690\nNd Sn Ir\n3 3 3\ndirect\n0.590896 0.000000 0.000000 Nd\n0.000000 0.590896 0.000000 Nd\n0.409104 0.409104 0.000000 Nd\n0.251179 0.000000 0.500000 Sn\n0.000000 0.251179 0.500000 Sn\n0.748821 0.748821 0.500000 Sn\n0.333333 0.666667 0.500000 Ir\n0.666667 0.333333 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
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"formula_full": "Nd3 Sn3 Ir3",
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{
"id": "mp-607399",
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"structure_string": "Al8 Cr4 Cl32\n1.0\n6.190347 0.000000 0.000000\n0.000000 13.785083 0.000000\n0.000000 0.000000 15.719869\nAl Cr Cl\n8 4 32\ndirect\n0.884548 0.090254 0.742568 Al\n0.604062 0.909794 0.005406 Al\n0.395938 0.409794 0.994594 Al\n0.884548 0.590254 0.757432 Al\n0.604062 0.409794 0.494594 Al\n0.115452 0.090254 0.242568 Al\n0.115452 0.590254 0.257432 Al\n0.395938 0.909794 0.505406 Al\n0.245757 0.000005 0.873450 Cr\n0.754243 0.500005 0.126550 Cr\n0.754243 0.000005 0.373450 Cr\n0.245757 0.500005 0.626550 Cr\n0.001334 0.665875 0.365135 Cl\n0.948980 0.411187 0.498419 Cl\n0.460467 0.089194 0.247052 Cl\n0.539533 0.589194 0.752948 Cl\n0.464852 0.557857 0.510810 Cl\n0.051020 0.411187 0.998419 Cl\n0.538061 0.854701 0.384216 Cl\n0.027836 0.644789 0.636441 Cl\n0.998666 0.665875 0.865135 Cl\n0.460467 0.589194 0.252948 Cl\n0.025230 0.942101 0.757812 Cl\n0.464852 0.057857 0.989190 Cl\n0.051020 0.911187 0.501581 Cl\n0.486966 0.835033 0.113148 Cl\n0.535148 0.557857 0.010810 Cl\n0.513034 0.335033 0.886852 Cl\n0.974770 0.942101 0.257812 Cl\n0.513034 0.835033 0.613148 Cl\n0.461939 0.854701 0.884216 Cl\n0.461939 0.354701 0.615784 Cl\n0.001334 0.165875 0.134865 Cl\n0.025230 0.442101 0.742188 Cl\n0.027836 0.144789 0.863559 Cl\n0.535148 0.057857 0.489190 Cl\n0.974770 0.442101 0.242188 Cl\n0.972164 0.644789 0.136441 Cl\n0.538061 0.354701 0.115784 Cl\n0.998666 0.165875 0.634865 Cl\n0.486966 0.335033 0.386852 Cl\n0.539533 0.089194 0.747052 Cl\n0.948980 0.911187 0.001581 Cl\n0.972164 0.144789 0.363559 Cl\n",
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"formula_full": "Al8 Cr4 Cl32",
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{
"id": "mp-756686",
"created_at": "2022-09-04T14:46:41.666585Z",
"structure_string": "Al4 Ga4 O12\n1.0\n4.889231 0.000000 0.000000\n0.000000 5.009529 0.000000\n0.000000 0.000000 7.448018\nAl Ga O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.014015 0.957043 0.750000 Ga\n0.485985 0.457043 0.750000 Ga\n0.514015 0.542957 0.250000 Ga\n0.985985 0.042957 0.250000 Ga\n0.132061 0.420152 0.250000 O\n0.181007 0.185489 0.571448 O\n0.181007 0.185489 0.928552 O\n0.318993 0.685489 0.571448 O\n0.318993 0.685489 0.928552 O\n0.367939 0.920152 0.250000 O\n0.632061 0.079848 0.750000 O\n0.681007 0.314511 0.071448 O\n0.681007 0.314511 0.428552 O\n0.818993 0.814511 0.071448 O\n0.818993 0.814511 0.428552 O\n0.867939 0.579848 0.750000 O\n",
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{
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