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{
"id": "mp-1188414",
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"structure_string": "Sr4 Tc4 O12\n1.0\n5.621774 0.000000 0.000000\n0.000000 5.656954 0.000000\n0.000000 0.000000 7.956432\nSr Tc O\n4 4 12\ndirect\n0.495514 0.002337 0.750000 Sr\n0.995514 0.497663 0.750000 Sr\n0.504486 0.997663 0.250000 Sr\n0.004486 0.502337 0.250000 Sr\n0.500000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Tc\n0.500000 0.500000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.002306 0.952670 0.750000 O\n0.502306 0.547330 0.750000 O\n0.997694 0.047330 0.250000 O\n0.497694 0.452670 0.250000 O\n0.740580 0.239589 0.524987 O\n0.240580 0.260411 0.975013 O\n0.259420 0.760411 0.024987 O\n0.759420 0.739589 0.475013 O\n0.259420 0.760411 0.475013 O\n0.759420 0.739589 0.024987 O\n0.740580 0.239589 0.975013 O\n0.240580 0.260411 0.524987 O\n",
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{
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{
"id": "mp-1403302",
"created_at": "2022-09-04T14:39:37.648675Z",
"structure_string": "Zn2 Sn4 O10\n1.0\n3.556999 0.000000 0.000000\n-0.498614 5.155040 0.000000\n-0.907844 -0.741515 12.901830\nZn Sn O\n2 4 10\ndirect\n0.412712 0.029309 0.240556 Zn\n0.618216 0.973009 0.752002 Zn\n0.799770 0.554380 0.110650 Sn\n0.220816 0.447282 0.888067 Sn\n0.263247 0.423567 0.603879 Sn\n0.731095 0.576443 0.395361 Sn\n0.365561 0.601923 0.752301 O\n0.655576 0.400242 0.246472 O\n0.262784 0.401401 0.058083 O\n0.757299 0.601336 0.942200 O\n0.213581 0.408074 0.433256 O\n0.778959 0.588830 0.566852 O\n0.633862 0.929280 0.369674 O\n0.306022 0.065529 0.635965 O\n0.060184 0.082340 0.845299 O\n0.928815 0.921479 0.158701 O\n",
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"elements": [
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"density": 5.374195006083616,
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"formula_full": "Zn2 Sn4 O10",
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"energy": -96.13709424,
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{
"id": "mp-22637",
"created_at": "2022-09-04T14:39:32.250297Z",
"structure_string": "Hf4 Nb4 P4\n1.0\n3.540875 0.000000 0.000000\n0.000000 6.888633 0.000000\n0.000000 0.000000 8.321846\nHf Nb P\n4 4 4\ndirect\n0.250000 0.032957 0.667798 Hf\n0.250000 0.532957 0.832202 Hf\n0.750000 0.467043 0.167798 Hf\n0.750000 0.967043 0.332202 Hf\n0.750000 0.858328 0.939724 Nb\n0.250000 0.641672 0.439724 Nb\n0.750000 0.358328 0.560276 Nb\n0.250000 0.141672 0.060276 Nb\n0.250000 0.262508 0.355850 P\n0.250000 0.762508 0.144150 P\n0.750000 0.737492 0.644150 P\n0.750000 0.237492 0.855850 P\n",
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"elements": [
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"formula_full": "Hf4 Nb4 P4",
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"updated_at": "2021-11-28T01:34:24.219000Z",
"spacegroup": 62
},
{
"id": "mp-30572",
"created_at": "2022-09-04T14:39:46.489242Z",
"structure_string": "Hf4 Ga2\n1.0\n-3.356033 3.356033 2.645757\n3.356033 -3.356033 2.645757\n3.356033 3.356033 -2.645757\nHf Ga\n4 2\ndirect\n0.653688 0.153688 0.807376 Hf\n0.846312 0.653688 0.500000 Hf\n0.153688 0.346312 0.500000 Hf\n0.346312 0.846312 0.192624 Hf\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n",
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],
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"density": 11.888919843182242,
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"volume": 119.19619455450281,
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"formula_full": "Hf4 Ga2",
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"spacegroup": 140
},
{
"id": "mp-982881",
"created_at": "2022-09-04T14:39:39.575257Z",
"structure_string": "Pm1 Tm3\n1.0\n-2.499286 2.499286 5.006653\n2.499286 -2.499286 5.006653\n2.499286 2.499286 -5.006653\nPm Tm\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.750000 0.250000 0.500000 Tm\n0.250000 0.750000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n",
"nsites": 4,
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],
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"density": 8.652185246465672,
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},
{
"id": "mp-757667",
"created_at": "2022-09-04T14:39:26.450002Z",
"structure_string": "Li12 Mn12 P12 O48\n1.0\n5.673758 0.000000 0.000000\n0.000000 8.418797 0.000000\n0.000000 0.000000 19.845239\nLi Mn P O\n12 12 12 48\ndirect\n0.691143 0.274623 0.988957 Li\n0.307781 0.757648 0.174581 Li\n0.730550 0.241423 0.154115 Li\n0.230550 0.741423 0.345885 Li\n0.807781 0.257648 0.325419 Li\n0.191143 0.774623 0.511043 Li\n0.691143 0.225377 0.488957 Li\n0.307781 0.742352 0.674581 Li\n0.730550 0.258577 0.654115 Li\n0.230550 0.758577 0.845885 Li\n0.807781 0.242352 0.825419 Li\n0.191143 0.725377 0.011043 Li\n0.754062 0.964436 0.066209 Mn\n0.207868 0.431326 0.101588 Mn\n0.745816 0.560602 0.233013 Mn\n0.245816 0.060602 0.266987 Mn\n0.707868 0.931326 0.398412 Mn\n0.254062 0.464436 0.433791 Mn\n0.754062 0.535564 0.566209 Mn\n0.207868 0.068674 0.601588 Mn\n0.745816 0.939398 0.733013 Mn\n0.245816 0.439398 0.766987 Mn\n0.707868 0.568674 0.898412 Mn\n0.254062 0.035564 0.933791 Mn\n0.707963 0.584774 0.070490 P\n0.261237 0.084205 0.095064 P\n0.733262 0.933337 0.241752 P\n0.233262 0.433337 0.258248 P\n0.761237 0.584205 0.404936 P\n0.207963 0.084774 0.429510 P\n0.707963 0.915226 0.570490 P\n0.261237 0.415795 0.595064 P\n0.733262 0.566663 0.741752 P\n0.233262 0.066663 0.758248 P\n0.761237 0.915795 0.904936 P\n0.207963 0.415226 0.929510 P\n0.676149 0.505643 0.001173 O\n0.329440 0.964677 0.036769 O\n0.449400 0.220490 0.093555 O\n0.018885 0.164295 0.080677 O\n0.874108 0.732373 0.065146 O\n0.462730 0.632800 0.100277 O\n0.824668 0.464146 0.120471 O\n0.261274 0.990538 0.161546 O\n0.754966 0.998647 0.170173 O\n0.119051 0.565619 0.213073 O\n0.473334 0.389858 0.225242 O\n0.070153 0.282359 0.255781 O\n0.570153 0.782359 0.244219 O\n0.973334 0.889858 0.274758 O\n0.619051 0.065619 0.286927 O\n0.254966 0.498647 0.329827 O\n0.761274 0.490538 0.338454 O\n0.324668 0.964146 0.379529 O\n0.962730 0.132800 0.399723 O\n0.374108 0.232373 0.434854 O\n0.518885 0.664295 0.419323 O\n0.949400 0.720490 0.406445 O\n0.829440 0.464677 0.463231 O\n0.176149 0.005643 0.498827 O\n0.676149 0.994357 0.501173 O\n0.329440 0.535323 0.536769 O\n0.449400 0.279510 0.593555 O\n0.018885 0.335705 0.580677 O\n0.874108 0.767627 0.565146 O\n0.462730 0.867200 0.600277 O\n0.824668 0.035854 0.620471 O\n0.261274 0.509462 0.661546 O\n0.754966 0.501353 0.670173 O\n0.119051 0.934381 0.713073 O\n0.473334 0.110142 0.725242 O\n0.070153 0.217641 0.755781 O\n0.570153 0.717641 0.744219 O\n0.973334 0.610142 0.774758 O\n0.619051 0.434381 0.786927 O\n0.254966 0.001353 0.829827 O\n0.761274 0.009462 0.838454 O\n0.324668 0.535854 0.879529 O\n0.962730 0.367200 0.899723 O\n0.374108 0.267627 0.934854 O\n0.518885 0.835705 0.919323 O\n0.949400 0.779510 0.906445 O\n0.829440 0.035323 0.963231 O\n0.176149 0.494357 0.998827 O\n",
"nsites": 84,
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"elements": [
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],
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"formula_full": "Li12 Mn12 P12 O48",
"formula_reduced": "LiMnPO4",
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},
{
"id": "mp-1188086",
"created_at": "2022-09-04T14:39:29.659532Z",
"structure_string": "Ho10 Ir6\n1.0\n0.000000 0.000000 -6.188426\n-4.140826 -7.172121 0.000000\n-4.139783 7.171519 0.000000\nHo Ir\n10 6\ndirect\n0.500001 0.333335 0.666695 Ho\n0.500001 0.666641 0.333305 Ho\n0.000001 0.666665 0.333305 Ho\n0.000001 0.333359 0.666695 Ho\n0.750010 0.259257 0.000000 Ho\n0.749989 0.740752 0.740747 Ho\n0.749989 0.000005 0.259253 Ho\n0.250010 0.740743 0.000000 Ho\n0.249989 0.259248 0.259253 Ho\n0.249989 0.999995 0.740747 Ho\n0.750006 0.609547 0.000000 Ir\n0.750002 0.390426 0.390429 Ir\n0.750002 0.999997 0.609571 Ir\n0.250006 0.390453 0.000000 Ir\n0.250002 0.609574 0.609571 Ir\n0.250002 0.000003 0.390429 Ir\n",
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"formula_full": "Ho10 Ir6",
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{
"id": "mp-1191767",
"created_at": "2022-09-04T14:39:19.634530Z",
"structure_string": "Sm6 Ga2 Co2 Se14\n1.0\n0.000000 0.000000 -6.461742\n-5.084799 -8.807489 0.000000\n-5.085183 8.807711 0.000000\nSm Ga Co Se\n6 2 2 14\ndirect\n0.178109 0.842022 0.214938 Sm\n0.178104 0.785053 0.627110 Sm\n0.178098 0.372925 0.157954 Sm\n0.678109 0.157978 0.785062 Sm\n0.678104 0.214947 0.372890 Sm\n0.678098 0.627075 0.842046 Sm\n0.099293 0.333358 0.666688 Ga\n0.599293 0.666642 0.333312 Ga\n0.503091 0.999995 0.999976 Co\n0.003091 0.000005 0.000024 Co\n0.450086 0.563049 0.083141 Se\n0.450108 0.916832 0.479923 Se\n0.450096 0.520070 0.436931 Se\n0.950086 0.436951 0.916859 Se\n0.950108 0.083168 0.520077 Se\n0.950096 0.479930 0.563069 Se\n0.470443 0.333313 0.666628 Se\n0.970443 0.666687 0.333372 Se\n0.259160 0.127881 0.224610 Se\n0.259162 0.775197 0.903182 Se\n0.259149 0.096815 0.872021 Se\n0.759160 0.872119 0.775390 Se\n0.759162 0.224803 0.096818 Se\n0.759149 0.903185 0.127979 Se\n",
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{
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