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{
"id": "jvasp-122123",
"created_at": "2022-09-04T14:38:54.787606Z",
"updated_at": "2022-09-04T14:38:54.787633Z",
"structure_string": "K2 Rb1 Y1 V2 O8\n1.0\n5.954374 0.000000 0.000000\n-2.977187 5.156639 0.000000\n-0.000000 -0.000000 7.623678\nK Rb Y V O\n2 1 1 2 8\ndirect\n0.333333 0.666667 0.684586 K\n0.666666 0.333333 0.315414 K\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Y\n0.333333 0.666667 0.242095 V\n0.666666 0.333333 0.757905 V\n0.333333 0.666667 0.022618 O\n0.666666 0.333333 0.977382 O\n0.174664 0.825336 0.324117 O\n0.825335 0.174665 0.675883 O\n0.174664 0.349329 0.324117 O\n0.825335 0.650671 0.675883 O\n0.650670 0.825336 0.324117 O\n0.349329 0.174665 0.675883 O\n",
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{
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"updated_at": "2022-09-04T14:38:55.485651Z",
"structure_string": "K2 Mg4 P4 O16\n1.0\n8.255106 -0.091893 4.768923\n6.491719 5.100275 4.768923\n-0.022183 -0.007534 9.581369\nK Mg P O\n2 4 4 16\ndirect\n0.743808 0.256193 0.749999 K\n0.256191 0.743810 0.249999 K\n0.548940 0.159854 0.560577 Mg\n0.451059 0.840149 0.439422 Mg\n0.840147 0.451061 0.939422 Mg\n0.159852 0.548941 0.060577 Mg\n0.937594 0.329164 0.281858 P\n0.062405 0.670839 0.718141 P\n0.329162 0.937596 0.781858 P\n0.670837 0.062406 0.218141 P\n0.482417 0.718595 0.923082 O\n0.563655 0.973034 0.320999 O\n0.436344 0.026968 0.679000 O\n0.718593 0.482419 0.423082 O\n0.281406 0.517584 0.576917 O\n0.517582 0.281407 0.076917 O\n0.959170 0.835261 0.146907 O\n0.163595 0.642225 0.827568 O\n0.164741 0.040830 0.353091 O\n0.835258 0.959172 0.646907 O\n0.836404 0.357778 0.172431 O\n0.973032 0.563658 0.820999 O\n0.642223 0.163597 0.327568 O\n0.357776 0.836406 0.672431 O\n0.040829 0.164742 0.853091 O\n0.026967 0.436345 0.179000 O\n",
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"formula_full": "K2 Mg4 P4 O16",
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{
"id": "jvasp-122120",
"created_at": "2022-09-04T14:38:55.401783Z",
"updated_at": "2022-09-04T14:38:55.401809Z",
"structure_string": "K2 Sb2 Cl12\n1.0\n6.614146 0.098111 1.116827\n3.609127 5.543533 1.116827\n-0.127773 -0.070511 11.820453\nK Sb Cl\n2 2 12\ndirect\n0.919220 0.080781 0.750000 K\n0.080782 0.919219 0.250000 K\n0.500001 -0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n0.470280 0.679751 0.611571 Cl\n0.529722 0.320248 0.388429 Cl\n0.320250 0.529721 0.888429 Cl\n0.679752 0.470279 0.111571 Cl\n0.387875 0.203550 0.673602 Cl\n0.612127 0.796450 0.326398 Cl\n0.796452 0.612125 0.826398 Cl\n0.203550 0.387874 0.173602 Cl\n0.784600 0.926302 0.031848 Cl\n0.215401 0.073697 0.968153 Cl\n0.073697 0.215401 0.468153 Cl\n0.926305 0.784599 0.531848 Cl\n",
"nsites": 16,
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"elements": [
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"Cl"
],
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"density_atomic": 0.03718908556433971,
"volume": 430.233756953203,
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{
"id": "jvasp-122119",
"created_at": "2022-09-04T14:38:55.251897Z",
"updated_at": "2022-09-04T14:38:55.251916Z",
"structure_string": "K2 V4 Ag2 O12\n1.0\n7.194879 -0.019692 1.279032\n0.327103 7.187467 1.279032\n-0.022040 -0.021002 5.829335\nK V Ag O\n2 4 2 12\ndirect\n0.802005 0.197996 0.749999 K\n0.197995 0.802005 0.250000 K\n0.297071 0.123336 0.727131 V\n0.702928 0.876665 0.272867 V\n0.876664 0.702929 0.772867 V\n0.123336 0.297072 0.227132 V\n0.404272 0.595729 0.749999 Ag\n0.595728 0.404272 0.249999 Ag\n0.602375 0.087511 0.207615 O\n0.397624 0.912490 0.792384 O\n0.286379 0.456950 0.157609 O\n0.713621 0.543051 0.842390 O\n0.543050 0.713622 0.342390 O\n0.167046 0.132993 0.485946 O\n0.867007 0.832955 0.014053 O\n0.132993 0.167046 0.985946 O\n0.087511 0.602376 0.707614 O\n0.832954 0.867008 0.514052 O\n0.456949 0.286379 0.657608 O\n0.912489 0.397625 0.292384 O\n",
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},
{
"id": "jvasp-122118",
"created_at": "2022-09-04T14:38:55.220071Z",
"updated_at": "2022-09-04T14:38:55.220108Z",
"structure_string": "K2 Tb2 Mo4 O16\n1.0\n6.508429 -0.006568 3.527189\n-1.619311 6.303770 3.527189\n-0.031206 -0.040193 7.751475\nTb K Mo O\n2 2 4 16\ndirect\n0.770275 0.229725 0.750001 Tb\n0.229725 0.770275 0.250000 Tb\n0.195729 0.804271 0.750001 K\n0.804271 0.195729 0.250000 K\n0.692837 0.699080 0.758028 Mo\n0.307162 0.300920 0.241973 Mo\n0.300920 0.307163 0.741974 Mo\n0.699080 0.692837 0.258027 Mo\n0.198296 0.049861 0.309062 O\n0.801703 0.950139 0.690939 O\n0.365523 0.581545 0.472928 O\n0.634477 0.418456 0.527073 O\n0.418456 0.634477 0.027073 O\n0.581544 0.365523 0.972928 O\n0.073993 0.390318 0.374436 O\n0.774997 0.607680 0.062199 O\n0.609682 0.926007 0.125565 O\n0.390318 0.073993 0.874436 O\n0.049861 0.198297 0.809062 O\n0.225003 0.392320 0.937802 O\n0.392320 0.225003 0.437802 O\n0.607680 0.774997 0.562199 O\n0.926007 0.609682 0.625565 O\n0.950139 0.801703 0.190939 O\n",
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"elements": [
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],
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"density_atomic": 0.07504945963418239,
"volume": 319.78911130052757,
"volume_molar": 8.024229340696182,
"formula_full": "K2 Tb2 Mo4 O16",
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"formula_anonymous": "ABC2D8",
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"spacegroup": 15
},
{
"id": "jvasp-122117",
"created_at": "2022-09-04T14:38:55.520693Z",
"updated_at": "2022-09-04T14:38:55.520718Z",
"structure_string": "Mg1 Mn6 Ge6\n1.0\n5.154943 0.000000 0.000000\n-2.577472 4.464312 0.000000\n0.000000 -0.000000 8.001784\nMg Mn Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 0.249827 Mn\n0.500000 -0.000000 0.750172 Mn\n0.000000 0.500000 0.249827 Mn\n0.000000 0.500000 0.750172 Mn\n0.500000 0.500000 0.249827 Mn\n0.500000 0.500000 0.750172 Mn\n0.000000 0.000000 0.333866 Ge\n0.000000 0.000000 0.666134 Ge\n0.333333 0.666666 0.500000 Ge\n0.666666 0.333333 0.500000 Ge\n0.333333 0.666666 -0.000000 Ge\n0.666666 0.333333 -0.000000 Ge\n",
"nsites": 13,
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"elements": [
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"Ge"
],
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"density": 7.121743013465246,
"density_atomic": 0.07059567940048433,
"volume": 184.1472468343553,
"volume_molar": 8.530466469253478,
"formula_full": "Mg1 Mn6 Ge6",
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"formula_anonymous": "AB6C6",
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"spacegroup": 191
},
{
"id": "jvasp-122116",
"created_at": "2022-09-04T14:38:54.657836Z",
"updated_at": "2022-09-04T14:38:54.657866Z",
"structure_string": "Li2 Nd2 Mo4 O16\n1.0\n5.939391 0.000000 0.000000\n-0.000000 4.674112 1.846662\n-0.000000 -0.042830 10.990545\nLi Nd Mo O\n2 2 4 16\ndirect\n0.788273 0.000000 0.750000 Li\n0.211727 0.000000 0.250000 Li\n0.288041 0.500000 0.750000 Nd\n0.711958 0.500000 0.250000 Nd\n0.816186 0.734931 0.527114 Mo\n0.183814 0.265068 0.472885 Mo\n0.816186 0.265068 0.972885 Mo\n0.183814 0.734931 0.027114 Mo\n0.365745 0.210551 0.356818 O\n0.634255 0.789448 0.643181 O\n0.073874 0.624651 0.380589 O\n0.926126 0.375348 0.619410 O\n0.073874 0.375348 0.119410 O\n0.926126 0.624651 0.880589 O\n0.628391 0.699454 0.408811 O\n0.105534 0.874712 0.594265 O\n0.628391 0.300545 0.091188 O\n0.371609 0.699454 0.908811 O\n0.634255 0.210551 0.856818 O\n0.894466 0.125287 0.405734 O\n0.105534 0.125287 0.905734 O\n0.894466 0.874712 0.094265 O\n0.371609 0.300545 0.591188 O\n0.365745 0.789448 0.143181 O\n",
"nsites": 24,
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"elements": [
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],
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"density_atomic": 0.07853854330667577,
"volume": 305.58244384907,
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"formula_full": "Li2 Nd2 Mo4 O16",
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"spacegroup": 13
},
{
"id": "jvasp-122115",
"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
"nsites": 20,
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],
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"volume": 217.8908665519888,
"volume_molar": 6.560847343472262,
"formula_full": "Li2 Mn4 Te2 O12",
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"spacegroup": 1
},
{
"id": "jvasp-122114",
"created_at": "2022-09-04T14:38:55.144348Z",
"updated_at": "2022-09-04T14:38:55.144369Z",
"structure_string": "Nd12 Ni6 Pb1\n1.0\n8.176695 -0.000000 -2.890898\n-4.088348 7.081226 -2.890898\n-0.000000 -0.000000 8.672695\nNd Ni Pb\n12 6 1\ndirect\n0.813387 0.693525 0.506912 Nd\n0.880140 0.186614 0.693525 Nd\n0.119861 0.813387 0.306475 Nd\n0.506912 0.813387 0.693525 Nd\n0.306475 0.119861 0.813387 Nd\n0.693525 0.880140 0.186614 Nd\n0.493089 0.186614 0.306475 Nd\n0.693525 0.506912 0.813387 Nd\n0.813387 0.306475 0.119861 Nd\n0.186614 0.693525 0.880140 Nd\n0.186614 0.306475 0.493089 Nd\n0.306475 0.493089 0.186614 Nd\n0.500000 0.121931 0.621931 Ni\n0.878070 0.378070 0.500000 Ni\n0.121931 0.621931 0.500000 Ni\n0.378070 0.500000 0.878070 Ni\n0.621931 0.500000 0.121931 Ni\n0.500000 0.878070 0.378070 Ni\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 19,
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],
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"volume": 502.15793199035653,
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"formula_full": "Nd12 Ni6 Pb1",
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"formula_anonymous": "AB6C12",
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"spacegroup": 204
},
{
"id": "jvasp-122113",
"created_at": "2022-09-04T14:38:55.461283Z",
"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
"nsites": 20,
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"elements": [
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"C",
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],
"chemical_system": "C-Ce-Na-O",
"density": 3.9942885746403656,
"density_atomic": 0.0849599632486544,
"volume": 235.4049982515354,
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"formula_full": "Na2 Ce2 C4 O12",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 26
},
{
"id": "jvasp-122112",
"created_at": "2022-09-04T14:38:55.382927Z",
"updated_at": "2022-09-04T14:38:55.382954Z",
"structure_string": "Na3 Sm2 Si2 Se6\n1.0\n7.103653 0.333612 1.319633\n-3.540861 6.167292 1.319633\n0.158500 0.289210 7.656190\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.658377 0.341622 -0.000000 Na\n0.341622 0.658377 -0.000000 Na\n0.836469 0.163530 0.500000 Sm\n0.163530 0.836469 0.500000 Sm\n0.565046 0.565046 0.330860 Si\n0.434954 0.434954 0.669139 Si\n0.210785 0.210785 0.239099 Se\n0.789215 0.789215 0.760901 Se\n0.592285 0.924302 0.272248 Se\n0.407714 0.075697 0.727752 Se\n0.075697 0.407714 0.727752 Se\n0.924302 0.592285 0.272248 Se\n",
"nsites": 13,
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"elements": [
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],
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"density": 4.40429442360694,
"density_atomic": 0.038327575499468754,
"volume": 339.181381305483,
"volume_molar": 15.7122924722527,
"formula_full": "Na3 Sm2 Si2 Se6",
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"spacegroup": 12
},
{
"id": "jvasp-122110",
"created_at": "2022-09-04T14:38:55.303243Z",
"updated_at": "2022-09-04T14:38:55.303270Z",
"structure_string": "Nd16 Cd4 Ir4\n1.0\n8.586709 -0.000000 4.957538\n2.862236 8.095626 4.957538\n-0.000000 -0.000000 9.915077\nNd Cd Ir\n16 4 4\ndirect\n0.349035 0.349035 0.349035 Nd\n0.938318 0.938318 0.561682 Nd\n0.561682 0.561682 0.938318 Nd\n0.938318 0.561682 0.938318 Nd\n0.561683 0.938318 0.561682 Nd\n0.938318 0.561682 0.561682 Nd\n0.809329 0.809329 0.190671 Nd\n0.190671 0.190671 0.809329 Nd\n0.561683 0.938318 0.938318 Nd\n0.190671 0.809329 0.190671 Nd\n0.190671 0.809329 0.809329 Nd\n0.809329 0.190671 0.190671 Nd\n0.952896 0.349035 0.349035 Nd\n0.349035 0.952896 0.349035 Nd\n0.349035 0.349035 0.952896 Nd\n0.809329 0.190671 0.809329 Nd\n0.580478 0.580478 0.580478 Cd\n0.580478 0.580478 0.258565 Cd\n0.580478 0.258565 0.580478 Cd\n0.258565 0.580478 0.580478 Cd\n0.141763 0.574710 0.141763 Ir\n0.141763 0.141763 0.141763 Ir\n0.141763 0.141763 0.574710 Ir\n0.574710 0.141763 0.141763 Ir\n",
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"elements": [
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],
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"volume": 689.2444422927961,
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"formula_full": "Nd16 Cd4 Ir4",
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}
]
}