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{
"id": "jvasp-13890",
"created_at": "2022-09-04T14:36:07.609845Z",
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{
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"structure_string": "V1 Ge1 Ru2\n1.0\n0.000016 3.012571 3.012470\n3.012840 -0.000005 3.012490\n3.012844 3.012594 -0.000007\nV Ge Ru\n1 1 2\ndirect\n0.749999 0.750000 0.750000 V\n0.250000 0.250000 0.250000 Ge\n0.500005 0.499990 0.500007 Ru\n-0.000005 0.000009 -0.000008 Ru\n",
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{
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"structure_string": "W2 S4\n1.0\n4.776541 -0.000000 -2.172421\n-0.988039 4.673232 -2.172421\n-0.066628 -0.082189 6.190844\nW S\n2 4\ndirect\n0.250000 0.750000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.859823 0.875000 0.250000 S\n0.624999 0.140176 0.749999 S\n0.390176 0.375000 0.250000 S\n0.124999 0.609823 0.749999 S\n",
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{
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"created_at": "2022-09-04T14:38:00.460544Z",
"updated_at": "2022-09-04T14:38:00.460566Z",
"structure_string": "Ta2 Cr2 O8\n1.0\n-0.000000 4.684787 3.020072\n-0.000000 4.684787 -3.020072\n-4.684787 -0.000000 -3.020072\nTa Cr O\n2 2 8\ndirect\n0.260936 0.239064 0.500000 Ta\n0.010937 0.989064 0.000000 Ta\n0.750543 0.749457 0.500000 Cr\n0.500543 0.499458 0.000000 Cr\n0.553072 0.251341 0.804414 O\n0.045437 0.754398 0.799835 O\n-0.001340 0.305752 0.695587 O\n0.495603 0.804232 0.700166 O\n-0.001340 0.696928 0.304413 O\n0.495602 0.204564 0.299834 O\n0.944247 0.251341 0.195587 O\n0.445768 0.754398 0.200166 O\n",
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"volume": 132.56442498263866,
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{
"id": "jvasp-44623",
"created_at": "2022-09-04T14:38:11.419818Z",
"updated_at": "2022-09-04T14:38:11.419842Z",
"structure_string": "Mn6 Fe2 O16\n1.0\n5.669855 0.000019 0.000077\n-2.834912 4.910210 -0.000153\n0.000172 -0.000297 8.605487\nMn Fe O\n6 2 16\ndirect\n0.167326 0.832694 0.209306 Mn\n0.167320 0.334650 0.209281 Mn\n0.665364 0.832697 0.209295 Mn\n0.334635 0.167332 0.709294 Mn\n0.832674 0.665368 0.709306 Mn\n0.832679 0.167329 0.709281 Mn\n0.333332 0.666665 0.488715 Fe\n0.666667 0.333333 0.988715 Fe\n0.829968 0.659919 0.100375 O\n0.666661 0.333335 0.595583 O\n0.522375 0.044767 0.841648 O\n0.522379 0.477636 0.841676 O\n0.659910 0.829942 0.600367 O\n0.340090 0.170032 0.100366 O\n0.477624 0.522390 0.341647 O\n0.000002 0.000039 0.319602 O\n0.170045 0.340083 0.600357 O\n0.999997 0.000037 0.819603 O\n0.955239 0.477636 0.841662 O\n0.333339 0.666674 0.095583 O\n0.044760 0.522394 0.341661 O\n0.170031 0.829949 0.600375 O\n0.477620 0.955256 0.341676 O\n0.829954 0.170039 0.100357 O\n",
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{
"id": "jvasp-18781",
"created_at": "2022-09-04T14:37:05.587244Z",
"updated_at": "2022-09-04T14:37:05.587256Z",
"structure_string": "Ta2 Pt6\n1.0\n4.617653 0.000000 0.000000\n0.000000 4.932377 0.000000\n0.000000 0.000000 5.608711\nTa Pt\n2 6\ndirect\n0.500000 0.660626 0.500000 Ta\n0.000000 0.339375 0.000000 Ta\n0.000000 0.833925 0.250171 Pt\n0.500000 0.166075 0.249829 Pt\n0.000000 0.833925 0.749828 Pt\n0.500000 0.166075 0.750171 Pt\n0.000000 0.342786 0.500000 Pt\n0.500000 0.657215 0.000000 Pt\n",
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"volume": 127.74403231009883,
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{
"id": "jvasp-98002",
"created_at": "2022-09-04T14:36:03.672632Z",
"updated_at": "2022-09-04T14:36:03.672658Z",
"structure_string": "K2 Mn12 P14 O48\n1.0\n5.380311 0.005261 0.000000\n-1.948399 6.283785 0.000000\n0.000000 0.000000 26.737467\nK Mn P O\n2 12 14 48\ndirect\n0.780765 0.376445 0.750000 K\n0.219235 0.623555 0.250000 K\n0.622870 0.278037 0.316655 Mn\n0.687627 0.684858 0.044670 Mn\n0.312373 0.315143 0.544670 Mn\n0.312373 0.315143 0.955331 Mn\n0.687627 0.684858 0.455331 Mn\n0.377130 0.721964 0.816655 Mn\n0.708679 0.086189 0.598061 Mn\n0.708679 0.086189 0.901939 Mn\n0.291321 0.913812 0.401939 Mn\n0.622870 0.278037 0.183345 Mn\n0.377130 0.721964 0.683346 Mn\n0.291321 0.913812 0.098061 Mn\n0.752067 0.806059 0.167840 P\n0.247933 0.193942 0.667840 P\n0.247933 0.193942 0.832160 P\n0.752067 0.806059 0.332160 P\n0.044816 0.092470 0.250000 P\n0.789977 0.204589 0.024437 P\n0.955184 0.907531 0.750000 P\n0.210022 0.795411 0.975563 P\n0.789977 0.204589 0.475563 P\n0.185769 0.383507 0.110068 P\n0.814231 0.616493 0.610068 P\n0.814231 0.616493 0.889932 P\n0.185769 0.383507 0.389932 P\n0.210022 0.795411 0.524437 P\n0.361272 0.606107 0.095925 O\n0.046280 0.292343 0.441928 O\n0.953720 0.707657 0.941928 O\n0.953720 0.707657 0.558072 O\n0.638728 0.393894 0.595926 O\n0.627562 0.995074 0.451958 O\n0.372438 0.004927 0.548042 O\n0.330108 0.217789 0.250000 O\n0.046280 0.292343 0.058072 O\n0.372438 0.004927 0.951958 O\n0.891503 0.794523 0.118562 O\n0.349423 0.232582 0.122524 O\n0.003082 0.937188 0.296865 O\n-0.003082 0.062812 0.796865 O\n-0.003082 0.062812 0.703136 O\n0.003082 0.937188 0.203136 O\n0.635873 0.596341 0.305440 O\n0.364127 0.403660 0.805440 O\n0.364127 0.403660 0.694560 O\n0.635873 0.596341 0.194560 O\n0.565143 0.943169 0.333760 O\n0.434857 0.056832 0.833760 O\n0.434857 0.056832 0.666241 O\n0.565143 0.943169 0.166241 O\n0.891503 0.794523 0.381438 O\n0.108497 0.205477 0.881438 O\n0.108497 0.205477 0.618562 O\n0.151536 0.782674 0.750000 O\n0.361272 0.606107 0.404075 O\n0.848464 0.217327 0.250000 O\n0.669892 0.782212 0.750000 O\n0.650576 0.767419 0.622524 O\n0.650576 0.767419 0.877477 O\n0.349423 0.232582 0.377476 O\n0.989719 0.386079 0.150150 O\n0.010281 0.613921 0.650150 O\n0.010281 0.613921 0.849850 O\n0.989719 0.386079 0.349850 O\n0.640373 0.369786 0.478157 O\n0.359627 0.630214 0.978157 O\n0.359627 0.630214 0.521843 O\n0.640373 0.369786 0.021843 O\n0.910816 0.173879 0.526083 O\n0.089184 0.826122 0.026083 O\n0.089184 0.826122 0.473917 O\n0.910816 0.173879 0.973918 O\n0.627562 0.995074 0.048042 O\n0.638728 0.393894 0.904075 O\n",
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"elements": [
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],
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"density": 3.5608941280948505,
"density_atomic": 0.08404908286984228,
"volume": 904.2335431273292,
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"formula_full": "K2 Mn12 P14 O48",
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{
"id": "jvasp-28959",
"created_at": "2022-09-04T14:35:42.660132Z",
"updated_at": "2022-09-04T14:35:42.660158Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404395 -0.000140 0.000163\n-1.702318 2.948570 0.001017\n0.001682 0.013335 35.143388\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333174 0.666392 0.728524 Te\n0.666769 0.333365 0.413563 Te\n0.666413 0.332613 0.520327 Te\n0.333804 0.667627 0.621293 Te\n0.333202 0.666270 0.466975 Mo\n0.666567 0.333041 0.270455 Mo\n0.333310 0.666916 0.090581 W\n0.666917 0.333759 0.674970 W\n0.333009 0.665973 0.317367 Se\n0.333436 0.666791 0.223552 Se\n0.666958 0.334139 0.047671 S\n0.666448 0.333121 0.133471 S\n",
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{
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"created_at": "2022-09-04T14:36:38.358620Z",
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"structure_string": "Mn2 Co2 B2\n1.0\n4.034219 0.006939 3.023897\n2.430763 3.220437 1.066309\n-0.000603 0.001209 4.090206\nMn Co B\n2 2 2\ndirect\n0.338964 0.661036 0.338966 Mn\n0.661036 0.338965 0.661036 Mn\n0.165678 0.165678 0.834323 Co\n0.834322 0.834324 0.165679 Co\n0.750000 0.750001 0.750002 B\n0.250000 0.250000 0.250001 B\n",
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{
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"created_at": "2022-09-04T14:36:52.750765Z",
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404129 -0.000000 -0.000000\n-1.702064 2.948113 -0.000044\n-0.000004 -0.000392 35.933381\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333344 0.666685 0.336222 Te\n0.333359 0.666715 0.708951 Te\n0.333325 0.666647 0.231799 Te\n0.333327 0.666651 0.604027 Te\n0.333281 0.666560 0.092098 Mo\n0.666671 0.333339 0.283988 Mo\n0.333376 0.666748 0.470271 W\n0.666681 0.333360 0.656554 W\n0.666604 0.333205 0.046306 Se\n0.666638 0.333274 0.137992 Se\n0.666717 0.333430 0.428321 S\n0.666694 0.333384 0.512221 S\n",
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{
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"created_at": "2022-09-04T14:37:34.076048Z",
"updated_at": "2022-09-04T14:37:34.076072Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.404655 0.000000 0.000000\n-1.702328 2.948515 -0.000020\n0.000000 -0.000183 37.326241\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333361 0.666722 0.328861 Te\n0.666654 0.333305 0.424520 Te\n0.666690 0.333377 0.525093 Te\n0.333328 0.666658 0.227884 Te\n0.333297 0.666595 0.094913 Mo\n0.333339 0.666676 0.474792 Mo\n0.666679 0.333357 0.278348 W\n0.666684 0.333367 0.654818 W\n0.666533 0.333065 0.050833 Se\n0.666730 0.333461 0.139091 Se\n0.333241 0.666482 0.695194 S\n0.333464 0.666928 0.614400 S\n",
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{
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"created_at": "2022-09-04T14:37:44.845566Z",
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"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.405160 -0.000001 -0.000001\n-1.702580 2.948960 -0.000005\n-0.000016 -0.000089 36.586390\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.666632 0.333257 0.042747 Te\n0.666645 0.333293 0.419420 Te\n0.666672 0.333348 0.145258 Te\n0.666669 0.333334 0.522655 Te\n0.333319 0.666637 0.093968 Mo\n0.666667 0.333334 0.282097 Mo\n0.333324 0.666649 0.471014 W\n0.666691 0.333383 0.655812 W\n0.333347 0.666688 0.327184 Se\n0.333320 0.666645 0.237023 Se\n0.333319 0.666642 0.697001 S\n0.333394 0.666790 0.614570 S\n",
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}