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{
"id": "mp-732156",
"created_at": "2022-09-04T14:40:23.837304Z",
"structure_string": "Sr4 P4 O16\n1.0\n-6.884542 0.000000 0.000000\n-0.052071 -7.279881 0.000000\n0.858864 1.426338 7.117272\nSr P O\n4 4 16\ndirect\n0.447037 0.304766 0.244631 Sr\n0.552963 0.695234 0.755369 Sr\n0.857609 0.184476 0.689024 Sr\n0.142391 0.815524 0.310976 Sr\n0.623472 0.796155 0.289757 P\n0.376528 0.203845 0.710243 P\n0.949718 0.295355 0.217266 P\n0.050282 0.704645 0.782734 P\n0.804968 0.874840 0.425305 O\n0.195032 0.125160 0.574695 O\n0.506487 0.660675 0.377556 O\n0.493513 0.339325 0.622444 O\n0.683363 0.695957 0.097210 O\n0.316637 0.304043 0.902790 O\n0.485343 0.956875 0.248053 O\n0.514657 0.043125 0.751947 O\n0.072995 0.115367 0.177223 O\n0.927005 0.884633 0.822777 O\n0.814971 0.307902 0.035714 O\n0.185029 0.692098 0.964286 O\n0.097850 0.460466 0.274049 O\n0.902150 0.539534 0.725951 O\n0.816299 0.290685 0.371793 O\n0.183701 0.709315 0.628207 O\n",
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{
"id": "mp-1208205",
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"structure_string": "Ti6 Ge6 Rh6\n1.0\n-3.346775 3.581842 5.763018\n3.346775 -3.581842 5.763018\n3.346775 3.581842 -5.763018\nTi Ge Rh\n6 6 6\ndirect\n0.973029 0.745020 0.271990 Ti\n0.026971 0.298961 0.771990 Ti\n0.248708 0.164342 0.415634 Ti\n0.751292 0.166927 0.915634 Ti\n0.554594 0.350977 0.296382 Ti\n0.445406 0.741788 0.796382 Ti\n0.782013 0.782973 0.500960 Ge\n0.217987 0.718947 0.000960 Ge\n0.337580 0.079057 0.750754 Ge\n0.662420 0.413174 0.741477 Ge\n0.171697 0.413174 0.250754 Ge\n0.828303 0.079057 0.241477 Ge\n0.500000 0.489229 0.989229 Rh\n0.000000 0.489229 0.489229 Rh\n0.169217 0.004702 0.918289 Rh\n0.830783 0.749072 0.835485 Rh\n0.413587 0.749072 0.418289 Rh\n0.586413 0.004702 0.335485 Rh\n",
"nsites": 18,
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"volume": 276.3394622797333,
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"formula_full": "Ti6 Ge6 Rh6",
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"updated_at": "2021-11-28T01:35:02.628000Z",
"spacegroup": 46
},
{
"id": "mp-1014993",
"created_at": "2022-09-04T14:40:23.832968Z",
"structure_string": "Cr4 N8\n1.0\n4.759226 0.000000 0.000000\n0.000000 4.759226 0.000000\n0.000000 0.000000 4.759226\nCr N\n4 8\ndirect\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.082445 0.917555 0.417555 N\n0.917555 0.417555 0.082445 N\n0.417555 0.082445 0.917555 N\n0.582445 0.582445 0.582445 N\n0.917555 0.082445 0.582445 N\n0.082445 0.582445 0.917555 N\n0.582445 0.917555 0.082445 N\n0.417555 0.417555 0.417555 N\n",
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"formula_full": "Cr4 N8",
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"spacegroup": 205
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{
"id": "mp-531132",
"created_at": "2022-09-04T14:40:23.831663Z",
"structure_string": "Ca21 P14 O56\n1.0\n12.923157 -5.274617 0.000000\n12.923157 5.274617 0.000000\n10.770309 0.000000 8.878627\nCa P O\n21 14 56\ndirect\n0.235011 0.235011 0.235011 Ca\n0.580499 0.145138 0.179241 Ca\n0.145138 0.179241 0.580499 Ca\n0.179241 0.580499 0.145138 Ca\n0.219673 0.186957 0.782605 Ca\n0.782605 0.219673 0.186957 Ca\n0.642496 0.085473 0.671013 Ca\n0.186957 0.782605 0.219673 Ca\n0.307741 0.302321 0.890826 Ca\n0.890826 0.307741 0.302321 Ca\n0.671013 0.642496 0.085473 Ca\n0.085473 0.671013 0.642496 Ca\n0.699533 0.301012 0.678186 Ca\n0.302321 0.890826 0.307741 Ca\n0.301012 0.678186 0.699533 Ca\n0.678186 0.699533 0.301012 Ca\n0.808609 0.392473 0.798554 Ca\n0.392473 0.798554 0.808609 Ca\n0.798554 0.808609 0.392473 Ca\n0.734737 0.734737 0.734737 Ca\n0.922851 0.922851 0.922851 Ca\n0.999577 0.999577 0.999577 P\n0.567209 0.998862 0.040073 P\n0.998862 0.040073 0.567209 P\n0.040073 0.567209 0.998862 P\n0.506740 0.054314 0.544027 P\n0.544027 0.506740 0.054314 P\n0.054314 0.544027 0.506740 P\n0.502004 0.502004 0.502004 P\n0.461603 0.419495 0.919791 P\n0.919791 0.461603 0.419495 P\n0.419495 0.919791 0.461603 P\n0.960925 0.419213 0.921450 P\n0.419213 0.921450 0.960925 P\n0.921450 0.960925 0.419213 P\n0.040075 0.040075 0.040075 O\n0.100598 0.100249 0.394077 O\n0.394077 0.100598 0.100249 O\n0.659022 0.985686 0.079079 O\n0.100249 0.394077 0.100598 O\n0.985686 0.079079 0.659022 O\n0.356190 0.095375 0.379441 O\n0.379441 0.356190 0.095375 O\n0.079079 0.659022 0.985686 O\n0.095375 0.379441 0.356190 O\n0.340667 0.077072 0.625347 O\n0.579343 0.116106 0.370560 O\n0.625347 0.340667 0.077072 O\n0.116106 0.370560 0.579343 O\n0.504040 0.123131 0.596453 O\n0.370560 0.579343 0.116106 O\n0.077072 0.625347 0.340667 O\n0.830104 0.133093 0.375991 O\n0.358807 0.091925 0.905387 O\n0.596453 0.504040 0.123131 O\n0.123131 0.596453 0.504040 O\n0.133093 0.375991 0.830104 O\n0.905387 0.358807 0.091925 O\n0.632217 0.065450 0.867773 O\n0.838421 0.131479 0.574246 O\n0.495629 0.346101 0.628590 O\n0.628590 0.495629 0.346101 O\n0.375991 0.830104 0.133093 O\n0.091925 0.905387 0.358807 O\n0.346101 0.628590 0.495629 O\n0.131479 0.574246 0.838421 O\n0.867773 0.632217 0.065450 O\n0.422976 0.400467 0.855349 O\n0.543751 0.543751 0.543751 O\n0.855349 0.422976 0.400467 O\n0.574246 0.838421 0.131479 O\n0.065450 0.867773 0.632217 O\n0.633768 0.326391 0.875899 O\n0.858148 0.404629 0.590003 O\n0.982841 0.121149 0.846386 O\n0.400467 0.855349 0.422976 O\n0.875899 0.633768 0.326391 O\n0.404629 0.590003 0.858148 O\n0.326391 0.875899 0.633768 O\n0.590003 0.858148 0.404629 O\n0.121149 0.846386 0.982841 O\n0.923792 0.352028 0.904076 O\n0.878074 0.604265 0.598348 O\n0.604265 0.598348 0.878074 O\n0.846386 0.982841 0.121149 O\n0.598348 0.878074 0.604265 O\n0.352028 0.904076 0.923792 O\n0.904076 0.923792 0.352028 O\n0.879023 0.594419 0.856762 O\n0.594419 0.856762 0.879023 O\n0.856762 0.879023 0.594419 O\n",
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"elements": [
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],
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"formula_full": "Ca21 P14 O56",
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"updated_at": "2021-11-28T01:34:52.259000Z",
"spacegroup": 146
},
{
"id": "mp-1021693",
"created_at": "2022-09-04T14:40:23.829926Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.638435 -0.001263 0.000000\n-3.320312 5.748421 0.000000\n0.000000 0.000000 5.237484\nSr Mg V\n1 6 1\ndirect\n0.330789 0.169211 0.750000 Sr\n0.157966 0.813983 0.250000 Mg\n0.686017 0.342034 0.250000 Mg\n0.666086 0.833914 0.250000 Mg\n0.319966 0.653082 0.750000 Mg\n0.846918 0.180034 0.750000 Mg\n0.836621 0.663379 0.750000 Mg\n0.155637 0.344363 0.250000 V\n",
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"formula_full": "Sr1 Mg6 V1",
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{
"id": "mp-7980",
"created_at": "2022-09-04T14:40:23.828913Z",
"structure_string": "Ba3 Sr1 Ta2 O9\n1.0\n3.010946 -5.215112 0.000000\n3.010946 5.215112 0.000000\n0.000000 0.000000 7.676795\nBa Sr Ta O\n3 1 2 9\ndirect\n0.333333 0.666667 0.695032 Ba\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.304968 Ba\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.165553 Ta\n0.666667 0.333333 0.834447 Ta\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.822131 0.177869 0.700671 O\n0.822131 0.644262 0.700671 O\n0.355738 0.177869 0.700671 O\n0.177869 0.822131 0.299329 O\n0.177869 0.355738 0.299329 O\n0.644262 0.822131 0.299329 O\n",
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{
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"structure_string": "Li4 Mn2 Fe3 Sn3 O16\n1.0\n3.080826 5.266574 0.000000\n-3.080826 5.266574 0.000000\n0.000000 0.199148 9.678470\nLi Mn Fe Sn O\n4 2 3 3 16\ndirect\n0.674948 0.674948 0.106998 Li\n0.984870 0.984870 0.009873 Li\n0.986243 0.986243 0.502030 Li\n0.340486 0.340486 0.601034 Li\n0.671743 0.671743 0.508308 Mn\n0.343819 0.343819 0.019532 Mn\n0.834433 0.834433 0.781284 Fe\n0.168503 0.667819 0.287050 Fe\n0.667819 0.168503 0.287050 Fe\n0.341703 0.842735 0.790126 Sn\n0.842735 0.341703 0.790126 Sn\n0.170993 0.170993 0.288451 Sn\n0.318295 0.838808 0.398957 O\n0.528580 0.528580 0.654144 O\n0.675101 0.675101 0.903413 O\n0.004473 0.004473 0.689347 O\n0.998451 0.998451 0.191210 O\n0.838808 0.318295 0.398957 O\n0.528743 0.973271 0.660620 O\n0.973271 0.528743 0.660620 O\n0.166527 0.166527 0.911532 O\n0.827788 0.827788 0.395026 O\n0.050019 0.484031 0.149842 O\n0.484031 0.050019 0.149842 O\n0.338660 0.338660 0.395090 O\n0.165704 0.673367 0.904633 O\n0.481641 0.481641 0.149760 O\n0.673367 0.165704 0.904633 O\n",
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"formula_full": "Li4 Mn2 Fe3 Sn3 O16",
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{
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"structure_string": "Nb4 Zn4 Co2 O16\n1.0\n2.980901 9.690856 0.000000\n-2.980901 9.690856 0.000000\n0.000000 0.027664 5.285080\nNb Zn Co O\n4 4 2 16\ndirect\n0.722248 0.049632 0.766316 Nb\n0.950368 0.277752 0.733684 Nb\n0.277752 0.950368 0.233684 Nb\n0.049632 0.722248 0.266316 Nb\n0.567478 0.873568 0.736873 Zn\n0.126432 0.432522 0.763127 Zn\n0.432522 0.126432 0.263127 Zn\n0.873568 0.567478 0.236873 Zn\n0.354205 0.645795 0.750000 Co\n0.645795 0.354205 0.250000 Co\n0.811401 0.049162 0.426033 O\n0.950838 0.188599 0.073967 O\n0.188599 0.950838 0.573967 O\n0.049162 0.811401 0.926033 O\n0.566084 0.319919 0.913350 O\n0.680081 0.433916 0.586650 O\n0.433916 0.680081 0.086650 O\n0.319919 0.566084 0.413350 O\n0.715343 0.926860 0.062824 O\n0.073140 0.284657 0.437176 O\n0.159816 0.453594 0.135464 O\n0.546406 0.840184 0.364536 O\n0.840184 0.546406 0.864536 O\n0.453594 0.159816 0.635464 O\n0.926860 0.715343 0.562824 O\n0.284657 0.073140 0.937176 O\n",
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{
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"structure_string": "Na2 Ni2 O4\n1.0\n1.499389 -2.597018 0.000000\n1.499389 2.597018 0.000000\n0.000000 0.000000 10.679021\nNa Ni O\n2 2 4\ndirect\n0.666667 0.333333 0.250000 Na\n0.333333 0.666667 0.750000 Na\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.402896 O\n0.666667 0.333333 0.597104 O\n0.666667 0.333333 0.902896 O\n0.333333 0.666667 0.097104 O\n",
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{
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{
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"structure_string": "K4 Cu2 P2 C2 O14\n1.0\n7.843410 0.000000 0.000000\n0.000000 5.240610 0.000000\n0.000000 0.001219 9.244402\nK Cu P C O\n4 2 2 2 14\ndirect\n0.022242 0.242518 0.746425 K\n0.477758 0.242518 0.746425 K\n0.522242 0.757482 0.253575 K\n0.977758 0.757482 0.253575 K\n0.750000 0.773098 0.645247 Cu\n0.250000 0.226902 0.354753 Cu\n0.250000 0.715955 0.574630 P\n0.750000 0.284045 0.425370 P\n0.750000 0.728460 0.902370 C\n0.250000 0.271540 0.097630 C\n0.250000 0.283963 0.963254 O\n0.750000 0.942331 0.828685 O\n0.750000 0.533839 0.812880 O\n0.087078 0.754619 0.662886 O\n0.412922 0.754619 0.662886 O\n0.750000 0.118550 0.567723 O\n0.250000 0.423945 0.522090 O\n0.750000 0.576055 0.477910 O\n0.250000 0.881450 0.432277 O\n0.587077 0.245381 0.337114 O\n0.912922 0.245381 0.337114 O\n0.250000 0.466161 0.187120 O\n0.250000 0.057669 0.171315 O\n0.750000 0.716037 0.036746 O\n",
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]
}