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{
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{
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"structure_string": "Np2 Te6\n1.0\n2.029740 -14.216190 0.000000\n2.029740 14.216190 0.000000\n0.000000 0.000000 4.501749\nNp Te\n2 6\ndirect\n0.958852 0.041148 0.250000 Np\n0.041148 0.958852 0.750000 Np\n0.840188 0.159812 0.250000 Te\n0.159812 0.840188 0.750000 Te\n0.686097 0.313903 0.250000 Te\n0.313903 0.686097 0.750000 Te\n0.556877 0.443123 0.250000 Te\n0.443123 0.556877 0.750000 Te\n",
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{
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{
"id": "mp-1181925",
"created_at": "2022-09-04T14:47:21.900764Z",
"structure_string": "Ca1 Sc1 Cu3 Se4\n1.0\n6.039069 0.000000 0.000000\n0.000000 6.039069 0.000000\n0.000000 0.000000 6.039069\nCa Sc Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.237046 0.237046 0.237046 Se\n0.762954 0.762954 0.237046 Se\n0.237046 0.762954 0.762954 Se\n0.762954 0.237046 0.762954 Se\n",
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"spacegroup": 215
},
{
"id": "mp-752465",
"created_at": "2022-09-04T14:47:21.963781Z",
"structure_string": "Li2 V2 F8\n1.0\n5.480088 0.000000 0.000000\n-0.173921 5.561943 0.000000\n-2.710870 -0.101198 5.392713\nLi V F\n2 2 8\ndirect\n0.966873 0.246769 0.446385 Li\n0.033127 0.753231 0.553615 Li\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.764471 0.705725 0.939243 F\n0.130432 0.965377 0.354618 F\n0.266776 0.463088 0.647283 F\n0.276486 0.793164 0.963271 F\n0.723514 0.206836 0.036729 F\n0.733224 0.536912 0.352717 F\n0.869568 0.034623 0.645382 F\n0.235529 0.294275 0.060757 F\n",
"nsites": 12,
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"elements": [
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"density": 2.7049597853786955,
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"formula_full": "Li2 V2 F8",
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"energy": -75.68311007,
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{
"id": "mp-1186865",
"created_at": "2022-09-04T14:47:22.073861Z",
"structure_string": "Rb3 Rh1\n1.0\n0.000000 4.272129 4.272129\n4.272129 0.000000 4.272129\n4.272129 4.272129 0.000000\nRb Rh\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rh\n",
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{
"id": "mp-1208554",
"created_at": "2022-09-04T14:47:22.077201Z",
"structure_string": "Ta4 Si4 Pt4\n1.0\n3.856239 0.000000 0.000000\n0.000000 6.451746 0.000000\n0.000000 0.000000 7.429028\nTa Si Pt\n4 4 4\ndirect\n0.250000 0.525905 0.164531 Ta\n0.750000 0.474095 0.835469 Ta\n0.750000 0.974095 0.664531 Ta\n0.250000 0.025905 0.335469 Ta\n0.250000 0.767702 0.875026 Si\n0.750000 0.232298 0.124974 Si\n0.750000 0.732298 0.375026 Si\n0.250000 0.267702 0.624974 Si\n0.250000 0.652912 0.567572 Pt\n0.750000 0.347088 0.432428 Pt\n0.750000 0.847088 0.067572 Pt\n0.250000 0.152912 0.932428 Pt\n",
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"formula_full": "Ta4 Si4 Pt4",
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{
"id": "mp-1105199",
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"structure_string": "Rb2 La2 Mn2 W2 O12\n1.0\n5.767439 -0.000009 -0.053684\n-0.000009 5.788331 -0.000016\n0.002053 -0.000023 8.359642\nRb La Mn W O\n2 2 2 2 12\ndirect\n0.243198 0.762006 0.000746 Rb\n0.756813 0.262009 0.999266 Rb\n0.245432 0.803301 0.499848 La\n0.754566 0.303306 0.500147 La\n0.254508 0.274418 0.752894 Mn\n0.745465 0.774417 0.247118 Mn\n0.757205 0.769072 0.744537 W\n0.242793 0.269069 0.255463 W\n0.536729 0.022048 0.691831 O\n0.463289 0.522029 0.308165 O\n0.504748 0.053173 0.308504 O\n0.495248 0.553172 0.691490 O\n0.986215 0.479928 0.256321 O\n0.013801 0.979904 0.743678 O\n0.959629 0.501257 0.746659 O\n0.040356 0.001268 0.253338 O\n0.819880 0.747988 0.503578 O\n0.180120 0.247977 0.496421 O\n0.719153 0.770224 0.967572 O\n0.280852 0.270218 0.032426 O\n",
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{
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"created_at": "2022-09-04T14:47:25.194523Z",
"structure_string": "Te6 Mo2 W2 S2\n1.0\n1.729557 -2.995680 0.000000\n1.729557 2.995680 0.000000\n0.000000 0.000000 39.324333\nTe Mo W S\n6 2 2 2\ndirect\n0.000000 0.000000 0.704933 Te\n0.333333 0.666667 0.046980 Te\n0.333333 0.666667 0.422216 Te\n0.333333 0.666667 0.140993 Te\n0.333333 0.666667 0.516707 Te\n0.000000 0.000000 0.610475 Te\n0.000000 0.000000 0.093913 Mo\n0.333333 0.666667 0.281768 Mo\n0.000000 0.000000 0.469473 W\n0.333333 0.666667 0.657729 W\n0.000000 0.000000 0.319608 S\n0.000000 0.000000 0.243954 S\n",
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{
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{
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