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{
"id": "mp-1070375",
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{
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"spacegroup": 26
},
{
"id": "mp-1214208",
"created_at": "2022-09-04T14:46:57.357297Z",
"structure_string": "Ca12 Y8 Si12 O48\n1.0\n-6.345332 6.345332 6.345332\n6.345332 -6.345332 6.345332\n6.345332 6.345332 -6.345332\nCa Y Si O\n12 8 12 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.250000 0.625000 0.375000 Si\n0.750000 0.375000 0.625000 Si\n0.750000 0.875000 0.125000 Si\n0.375000 0.250000 0.625000 Si\n0.625000 0.750000 0.375000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.750000 0.875000 Si\n0.875000 0.250000 0.125000 Si\n0.625000 0.375000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.875000 0.125000 0.750000 Si\n0.125000 0.875000 0.250000 Si\n0.487967 0.377270 0.282523 O\n0.512033 0.622730 0.717477 O\n0.594747 0.205444 0.217477 O\n0.905253 0.122730 0.610697 O\n0.282523 0.487967 0.377270 O\n0.294556 0.905253 0.282523 O\n0.405253 0.794556 0.782523 O\n0.094747 0.877270 0.389303 O\n0.717477 0.512033 0.622730 O\n0.705444 0.094747 0.717477 O\n0.012033 0.294556 0.889303 O\n0.217477 0.594747 0.205444 O\n0.122730 0.012033 0.217477 O\n0.987967 0.705444 0.110697 O\n0.782523 0.405253 0.794556 O\n0.877270 0.987967 0.782523 O\n0.610697 0.905253 0.122730 O\n0.205444 0.487967 0.610697 O\n0.389303 0.094747 0.877270 O\n0.794556 0.512033 0.389303 O\n0.889303 0.012033 0.294556 O\n0.377270 0.594747 0.889303 O\n0.110697 0.987967 0.705444 O\n0.622730 0.405253 0.110697 O\n0.377270 0.282523 0.487967 O\n0.594747 0.889303 0.377270 O\n0.622730 0.717477 0.512033 O\n0.405253 0.110697 0.622730 O\n0.122730 0.610697 0.905253 O\n0.012033 0.217477 0.122730 O\n0.877270 0.389303 0.094747 O\n0.987967 0.782523 0.877270 O\n0.294556 0.889303 0.012033 O\n0.905253 0.282523 0.294556 O\n0.705444 0.110697 0.987967 O\n0.094747 0.717477 0.705444 O\n0.205444 0.217477 0.594747 O\n0.487967 0.610697 0.205444 O\n0.794556 0.782523 0.405253 O\n0.512033 0.389303 0.794556 O\n0.282523 0.294556 0.905253 O\n0.717477 0.705444 0.094747 O\n0.217477 0.122730 0.012033 O\n0.782523 0.877270 0.987967 O\n0.889303 0.377270 0.594747 O\n0.110697 0.622730 0.405253 O\n0.610697 0.205444 0.487967 O\n0.389303 0.794556 0.512033 O\n",
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"elements": [
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],
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"density": 3.732682771302395,
"density_atomic": 0.07828290710863957,
"volume": 1021.9344548482018,
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"formula_full": "Ca12 Y8 Si12 O48",
"formula_reduced": "Ca3Y2(SiO4)3",
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"energy": -664.0086341899998,
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"updated_at": "2021-11-28T01:37:45.582000Z",
"spacegroup": 230
},
{
"id": "mp-861868",
"created_at": "2022-09-04T14:46:57.359987Z",
"structure_string": "K2 Na2 La2 Ta2 O10\n1.0\n5.849138 0.000000 0.000000\n0.000000 5.849138 0.000000\n0.000000 0.000000 8.360251\nK Na La Ta O\n2 2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.241067 Na\n0.000000 0.500000 0.758933 Na\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.253997 Ta\n0.500000 0.000000 0.746003 Ta\n0.000000 0.500000 0.031928 O\n0.771572 0.271572 0.324694 O\n0.228428 0.271572 0.324694 O\n0.771572 0.728428 0.324694 O\n0.228428 0.728428 0.324694 O\n0.271572 0.771572 0.675306 O\n0.728428 0.771572 0.675306 O\n0.271572 0.228428 0.675306 O\n0.728428 0.228428 0.675306 O\n0.500000 0.000000 0.968072 O\n",
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"elements": [
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],
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"density": 5.363646222697965,
"density_atomic": 0.06293169843134827,
"volume": 286.02437958409894,
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"formula_full": "K2 Na2 La2 Ta2 O10",
"formula_reduced": "KNaLaTaO5",
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"spacegroup": 129
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{
"id": "mp-1234737",
"created_at": "2022-09-04T14:46:57.368908Z",
"structure_string": "Ba2 Mg1 Mo4 P8 O28\n1.0\n7.778332 0.016601 1.401496\n-0.092850 7.830074 1.475113\n0.070444 0.166355 10.393276\nBa Mg Mo P O\n2 1 4 8 28\ndirect\n0.005176 0.508060 0.052283 Ba\n0.488063 0.986461 0.541140 Ba\n0.826609 0.389074 0.755767 Mg\n0.992868 0.991275 0.487667 Mo\n0.023526 0.013029 0.002419 Mo\n0.466102 0.546932 0.248337 Mo\n0.466594 0.451370 0.769218 Mo\n0.819196 0.717621 0.315304 P\n0.272733 0.193814 0.194727 P\n0.164374 0.262083 0.663098 P\n0.775373 0.802290 0.806595 P\n0.725220 0.358004 0.461862 P\n0.638928 0.262625 0.057973 P\n0.246495 0.637165 0.532480 P\n0.387464 0.760990 0.946303 P\n0.959636 0.748600 0.192629 O\n0.212955 0.056442 0.319218 O\n0.017907 0.238611 0.785228 O\n0.803791 0.924308 0.668821 O\n0.634811 0.727081 0.289969 O\n0.270495 0.378209 0.219447 O\n0.344767 0.233461 0.692163 O\n0.817804 0.614079 0.801019 O\n0.832868 0.822593 0.421535 O\n0.175904 0.192296 0.080196 O\n0.141923 0.159478 0.558678 O\n0.857146 0.853291 0.913926 O\n0.851227 0.511271 0.377144 O\n0.476419 0.149293 0.146651 O\n0.415889 0.741950 0.088650 O\n0.277532 0.644966 0.384001 O\n0.621407 0.292820 0.908269 O\n0.703534 0.370442 0.610679 O\n0.333064 0.588165 0.916666 O\n0.408491 0.629656 0.596245 O\n0.643899 0.434129 0.105236 O\n0.129933 0.466820 0.604413 O\n0.258960 0.897508 0.907427 O\n0.145456 0.791571 0.570597 O\n0.802775 0.167421 0.079516 O\n0.812264 0.191048 0.435491 O\n0.564702 0.819994 0.840018 O\n0.552391 0.365374 0.413495 O\n",
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{
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"created_at": "2022-09-04T14:46:57.371141Z",
"structure_string": "Si8 Te8 Pt8\n1.0\n6.223080 0.000000 0.000000\n0.000000 6.321168 0.000000\n0.000000 0.000000 12.632116\nSi Te Pt\n8 8 8\ndirect\n0.871054 0.333399 0.439066 Si\n0.371054 0.166601 0.560934 Si\n0.628946 0.666601 0.939066 Si\n0.371054 0.333399 0.060934 Si\n0.871054 0.166601 0.939066 Si\n0.628946 0.833399 0.439066 Si\n0.128946 0.666601 0.560934 Si\n0.128946 0.833399 0.060934 Si\n0.616977 0.083675 0.174655 Te\n0.883023 0.916325 0.674655 Te\n0.383023 0.583675 0.325345 Te\n0.883023 0.583675 0.174655 Te\n0.616977 0.416325 0.674655 Te\n0.116977 0.083675 0.325345 Te\n0.116977 0.416325 0.825345 Te\n0.383023 0.916325 0.825345 Te\n0.525472 0.312906 0.886363 Pt\n0.025472 0.187094 0.113637 Pt\n0.474528 0.812906 0.613637 Pt\n0.974528 0.687094 0.386363 Pt\n0.474528 0.687094 0.113637 Pt\n0.974528 0.812906 0.886363 Pt\n0.525472 0.187094 0.386363 Pt\n0.025472 0.312906 0.613637 Pt\n",
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{
"id": "mp-849461",
"created_at": "2022-09-04T14:46:57.375347Z",
"structure_string": "Na12 Mn4 O12\n1.0\n6.000462 -0.000035 0.059019\n-0.000073 12.476963 -0.000037\n-2.593239 0.000000 5.310079\nNa Mn O\n12 4 12\ndirect\n0.139197 0.221364 0.700782 Na\n0.245985 0.483652 0.779458 Na\n0.254016 0.983650 0.720540 Na\n0.360808 0.721365 0.799222 Na\n0.289328 0.599468 0.351349 Na\n0.210672 0.099464 0.148656 Na\n0.789331 0.900539 0.851346 Na\n0.710669 0.400537 0.648650 Na\n0.639195 0.278644 0.200780 Na\n0.745984 0.016356 0.279459 Na\n0.754020 0.516355 0.220541 Na\n0.860808 0.778644 0.299218 Na\n0.172022 0.340703 0.262599 Mn\n0.327973 0.840713 0.237398 Mn\n0.672017 0.159261 0.762604 Mn\n0.827976 0.659268 0.737401 Mn\n0.994815 0.369420 0.452092 O\n0.114170 0.934090 0.306404 O\n0.068745 0.731550 0.024096 O\n0.494803 0.130586 0.952108 O\n0.431261 0.231546 0.475908 O\n0.614152 0.565910 0.806408 O\n0.385827 0.434087 0.193599 O\n0.568748 0.768458 0.524099 O\n0.505188 0.869422 0.047903 O\n0.931247 0.268452 0.975890 O\n0.885845 0.065912 0.693593 O\n0.005197 0.630585 0.547898 O\n",
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"volume": 399.46216826942185,
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"formula_full": "Na12 Mn4 O12",
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{
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