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{
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{
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{
"id": "mp-1183410",
"created_at": "2022-09-04T14:39:05.229479Z",
"structure_string": "Ba10 V10 O28\n1.0\n5.894103 0.000968 -0.000893\n2.946053 5.118190 12.156957\n-0.001680 -10.179732 -0.023419\nBa V O\n10 10 28\ndirect\n0.957119 0.000849 0.000307 Ba\n0.458008 0.999175 0.499712 Ba\n0.110598 0.767183 0.550918 Ba\n0.610976 0.767657 0.051258 Ba\n0.878778 0.232320 0.448695 Ba\n0.378056 0.232836 0.949104 Ba\n0.283161 0.424600 0.379240 Ba\n0.784299 0.424282 0.878667 Ba\n0.708616 0.575756 0.621475 Ba\n0.207366 0.575411 0.120832 Ba\n0.739450 0.500025 0.250085 V\n0.241786 0.500042 0.750134 V\n0.136686 0.714726 0.857340 V\n0.638749 0.711425 0.356897 V\n0.850675 0.288588 0.143043 V\n0.352516 0.285289 0.642631 V\n0.432166 0.129076 0.230987 V\n0.931412 0.128121 0.730866 V\n0.559159 0.871877 0.769065 V\n0.060902 0.870927 0.268939 V\n0.922047 0.601499 0.375204 O\n0.418303 0.603011 0.875222 O\n0.522517 0.396559 0.624543 O\n0.024086 0.398438 0.125048 O\n0.196393 0.606475 0.652624 O\n0.698620 0.602004 0.149566 O\n0.800830 0.398028 0.350541 O\n0.302604 0.393596 0.847446 O\n0.467314 0.596451 0.376474 O\n0.971928 0.598661 0.878378 O\n0.071474 0.401699 0.621995 O\n0.564310 0.403566 0.123326 O\n0.154680 0.179975 0.172319 O\n0.654615 0.177457 0.670622 O\n0.331834 0.822487 0.829261 O\n0.834580 0.819899 0.327495 O\n0.400675 0.192543 0.430427 O\n0.898286 0.194814 0.930643 O\n0.593181 0.805181 0.569295 O\n0.093562 0.807407 0.069446 O\n0.641543 0.199031 0.182322 O\n0.140673 0.196623 0.679557 O\n0.836893 0.803381 0.820432 O\n0.340288 0.801042 0.317673 O\n0.080102 0.989498 0.668164 O\n0.579114 0.990253 0.166547 O\n0.068946 0.009748 0.333430 O\n0.569334 0.010506 0.831798 O\n",
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"volume": 728.7424842934679,
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"formula_full": "Ba10 V10 O28",
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{
"id": "mp-1096228",
"created_at": "2022-09-04T14:39:46.917744Z",
"structure_string": "Ti2 Fe1 Ru1\n1.0\n-4.445644 6.738930 9.417900\n4.445644 -6.738930 9.417900\n4.445644 6.738930 -9.417900\nTi Fe Ru\n2 1 1\ndirect\n0.000000 0.254206 0.254206 Ti\n0.000000 0.745794 0.745794 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ru\n",
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"density_atomic": 0.0035442169471646546,
"volume": 1128.5990839810097,
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"formula_full": "Ti2 Fe1 Ru1",
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{
"id": "mp-1026352",
"created_at": "2022-09-04T14:39:42.436484Z",
"structure_string": "Te4 Mo1 W2 S2\n1.0\n1.712884 -2.966803 0.000000\n1.712884 2.966803 0.000000\n0.000000 0.000000 31.667502\nTe Mo W S\n4 1 2 2\ndirect\n0.666667 0.333333 0.709694 Te\n0.666667 0.333333 0.172287 Te\n0.666667 0.333333 0.827713 Te\n0.666667 0.333333 0.290306 Te\n0.666667 0.333333 0.000000 Mo\n0.333333 0.666667 0.768666 W\n0.333333 0.666667 0.231334 W\n0.333333 0.666667 0.047287 S\n0.333333 0.666667 0.952713 S\n",
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"formula_full": "Te4 Mo1 W2 S2",
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{
"id": "mp-1047405",
"created_at": "2022-09-04T14:39:07.389209Z",
"structure_string": "Mg2 Te1 W1 O6\n1.0\n-5.608035 0.000000 0.000000\n1.672152 5.404686 0.000000\n-0.025714 -2.416739 -5.417464\nMg Te W O\n2 1 1 6\ndirect\n0.582502 0.102498 0.250786 Mg\n0.034402 0.742699 0.345152 Mg\n0.348525 0.396199 0.803587 Te\n0.043539 0.029088 0.007746 W\n0.403137 0.285738 0.078761 O\n0.803045 0.862672 0.177538 O\n0.913739 0.815955 0.686222 O\n0.927382 0.333600 0.193926 O\n0.236573 0.821447 0.065754 O\n0.380916 0.080282 0.528502 O\n",
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"formula_full": "Mg2 Te1 W1 O6",
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{
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{
"id": "mp-776434",
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"structure_string": "Li24 La8 Ni8 O32\n1.0\n-5.678865 5.678865 6.428002\n5.678865 -5.678865 6.428002\n5.678865 5.678865 -6.428002\nLi La Ni O\n24 8 8 32\ndirect\n0.921076 0.101143 0.142939 Li\n0.828924 0.148857 0.357061 Li\n0.898857 0.041797 0.819933 Li\n0.528136 0.171076 0.319933 Li\n0.467013 0.318604 0.157934 Li\n0.726251 0.579621 0.174461 Li\n0.221864 0.078924 0.180067 Li\n0.851143 0.208203 0.680067 Li\n0.681396 0.839330 0.148409 Li\n0.420379 0.594840 0.146630 Li\n0.791797 0.471864 0.642939 Li\n0.958203 0.778136 0.857061 Li\n0.448210 0.273749 0.853370 Li\n0.329621 0.655160 0.353370 Li\n0.068604 0.410670 0.351591 Li\n0.690921 0.532987 0.851591 Li\n0.023749 0.670379 0.325539 Li\n0.405160 0.551790 0.825539 Li\n0.589330 0.940921 0.657934 Li\n0.282987 0.931396 0.342066 Li\n0.160670 0.309079 0.842066 Li\n0.344840 0.698210 0.674461 Li\n0.059079 0.717013 0.648409 Li\n0.301790 0.976251 0.646630 Li\n0.560720 0.034242 0.997882 La\n0.437161 0.439280 0.473522 La\n0.784242 0.286361 0.973522 La\n0.713639 0.687161 0.497882 La\n0.189280 0.215758 0.502118 La\n0.965758 0.963639 0.526478 La\n0.312839 0.810720 0.026478 La\n0.036361 0.562839 0.002118 La\n0.773000 0.407394 0.310748 Ni\n0.537748 0.227000 0.634394 Ni\n0.157394 0.346646 0.134394 Ni\n0.592606 0.903354 0.365606 Ni\n0.653354 0.787748 0.810748 Ni\n0.977000 0.842606 0.189252 Ni\n0.096646 0.462252 0.689252 Ni\n0.212252 0.023000 0.865606 Ni\n0.841832 0.253237 0.229376 O\n0.362456 0.091832 0.088596 O\n0.614213 0.343814 0.077948 O\n0.856939 0.612603 0.082179 O\n0.893061 0.637397 0.417821 O\n0.640379 0.402407 0.408991 O\n0.387544 0.158168 0.411404 O\n0.387397 0.469576 0.244336 O\n0.524760 0.106939 0.744336 O\n0.908168 0.996763 0.270624 O\n0.152407 0.243416 0.262028 O\n0.768612 0.359621 0.762028 O\n0.656186 0.734134 0.270399 O\n0.093814 0.515866 0.229601 O\n0.463735 0.385787 0.729601 O\n0.597593 0.006584 0.237972 O\n0.726139 0.637544 0.729376 O\n0.225240 0.143061 0.755664 O\n0.362603 0.780424 0.255664 O\n0.746763 0.976139 0.588596 O\n0.484134 0.713735 0.577948 O\n0.993416 0.231388 0.591009 O\n0.109621 0.847593 0.091009 O\n0.219576 0.475240 0.582179 O\n0.530424 0.774760 0.917821 O\n0.756584 0.018612 0.908991 O\n0.265866 0.536265 0.922052 O\n0.135787 0.906186 0.422052 O\n0.003237 0.273861 0.911404 O\n0.023861 0.612456 0.770624 O\n0.286265 0.864213 0.770399 O\n0.981388 0.890379 0.737972 O\n",
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"formula_full": "Li24 La8 Ni8 O32",
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{
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"structure_string": "Ca8 Sn4 S16\n1.0\n6.586336 0.000000 0.000000\n0.000000 8.294765 0.000000\n0.000000 0.000000 13.990801\nCa Sn S\n8 4 16\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.488208 0.750000 0.226360 Ca\n0.011792 0.750000 0.726360 Ca\n0.511792 0.250000 0.773640 Ca\n0.988208 0.250000 0.273640 Ca\n0.913371 0.750000 0.404734 Sn\n0.586629 0.750000 0.904734 Sn\n0.086629 0.250000 0.595266 Sn\n0.413371 0.250000 0.095266 Sn\n0.759578 0.750000 0.563009 S\n0.740422 0.750000 0.063009 S\n0.240422 0.250000 0.436991 S\n0.259578 0.250000 0.936991 S\n0.276525 0.750000 0.406957 S\n0.223475 0.750000 0.906957 S\n0.723475 0.250000 0.593043 S\n0.776525 0.250000 0.093043 S\n0.745762 0.523647 0.328431 S\n0.754238 0.976353 0.828431 S\n0.254238 0.023647 0.671569 S\n0.245762 0.476353 0.171569 S\n0.254238 0.476353 0.671569 S\n0.245762 0.023647 0.171569 S\n0.745762 0.976353 0.328431 S\n0.754238 0.523647 0.828431 S\n",
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{
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{
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}