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{
"id": "mp-1192478",
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"structure_string": "Sr4 V6 H2 O18\n1.0\n0.000000 -6.230166 0.000000\n-7.164305 0.000000 2.871324\n-0.034529 0.000000 -8.889904\nSr V H O\n4 6 2 18\ndirect\n0.750000 0.326745 0.408785 Sr\n0.250000 0.673255 0.591215 Sr\n0.750000 0.735525 0.248620 Sr\n0.250000 0.264475 0.751380 Sr\n0.500000 0.000000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.250000 0.038228 0.340548 V\n0.750000 0.961772 0.659452 V\n0.750000 0.557769 0.822412 V\n0.250000 0.442231 0.177588 V\n0.750000 0.282030 0.034294 H\n0.250000 0.717970 0.965706 H\n0.490033 0.984776 0.221014 O\n0.990033 0.015224 0.778986 O\n0.509967 0.015224 0.778986 O\n0.009967 0.984776 0.221014 O\n0.525923 0.490271 0.698809 O\n0.025923 0.509729 0.301191 O\n0.474077 0.509729 0.301191 O\n0.974077 0.490271 0.698809 O\n0.750000 0.806660 0.941744 O\n0.250000 0.193340 0.058256 O\n0.250000 0.269601 0.457474 O\n0.750000 0.730399 0.542526 O\n0.750000 0.180588 0.080106 O\n0.250000 0.819412 0.919894 O\n0.250000 0.920335 0.469023 O\n0.750000 0.079665 0.530977 O\n0.750000 0.454297 0.962919 O\n0.250000 0.545703 0.037081 O\n",
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{
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"structure_string": "Sr10 V6 H2 O26\n1.0\n0.000000 0.000000 -7.491799\n-5.115242 -8.860212 0.000000\n-5.115320 8.860258 0.000000\nSr V H O\n10 6 2 26\ndirect\n0.000994 0.333360 0.666678 Sr\n0.500994 0.666640 0.333322 Sr\n0.998938 0.666639 0.333321 Sr\n0.498938 0.333361 0.666679 Sr\n0.249103 0.747578 0.994430 Sr\n0.249102 0.005583 0.753143 Sr\n0.249101 0.246844 0.252434 Sr\n0.749103 0.252422 0.005570 Sr\n0.749102 0.994417 0.246857 Sr\n0.749101 0.753156 0.747566 Sr\n0.249454 0.969463 0.367555 V\n0.249453 0.632456 0.601923 V\n0.249466 0.398086 0.030530 V\n0.749454 0.030537 0.632445 V\n0.749453 0.367544 0.398077 V\n0.749466 0.601914 0.969470 V\n0.572655 0.000000 0.000001 H\n0.072655 0.000000 0.999999 H\n0.250216 0.871657 0.467595 O\n0.250216 0.532390 0.404061 O\n0.250221 0.595931 0.128330 O\n0.750216 0.128343 0.532405 O\n0.750216 0.467610 0.595939 O\n0.750221 0.404069 0.871670 O\n0.249611 0.165585 0.484806 O\n0.249613 0.515208 0.680783 O\n0.249615 0.319220 0.834415 O\n0.749611 0.834415 0.515194 O\n0.749613 0.484792 0.319217 O\n0.749615 0.680780 0.165585 O\n0.064708 0.907849 0.249979 O\n0.064704 0.750021 0.657871 O\n0.064718 0.342136 0.092145 O\n0.564708 0.092151 0.750021 O\n0.564704 0.249979 0.342129 O\n0.564718 0.657864 0.907855 O\n0.933424 0.091388 0.751641 O\n0.933429 0.248361 0.339749 O\n0.933442 0.660253 0.908610 O\n0.433424 0.908612 0.248359 O\n0.433429 0.751639 0.660251 O\n0.433442 0.339747 0.091390 O\n0.203416 0.000002 0.999996 O\n0.703416 0.999998 0.000004 O\n",
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"elements": [
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"formula_full": "Sr10 V6 H2 O26",
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"energy": -336.98864775,
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"spacegroup": 173
},
{
"id": "mp-1046832",
"created_at": "2022-09-04T14:40:27.814169Z",
"structure_string": "Sr4 V4 Ga2 O14\n1.0\n-2.715815 2.757290 11.156539\n2.715815 -2.757290 11.156539\n2.715815 2.757290 -11.156539\nSr V Ga O\n4 4 2 14\ndirect\n0.365953 0.855337 0.515942 Sr\n0.634047 0.149988 0.489384 Sr\n0.839395 0.355337 0.489384 Sr\n0.160605 0.649988 0.515942 Sr\n0.569576 0.574808 0.006459 V\n0.931650 0.936883 0.006459 V\n0.068350 0.074808 0.005233 V\n0.430424 0.436883 0.005233 V\n0.827266 0.703693 0.030958 Ga\n0.172734 0.203693 0.876427 Ga\n0.668645 0.671316 0.478459 O\n0.863056 0.355587 0.718643 O\n0.692857 0.171316 0.002671 O\n0.206285 0.190833 0.051624 O\n0.837302 0.842357 0.531423 O\n0.810934 0.342357 0.005055 O\n0.136944 0.855587 0.492531 O\n0.307143 0.309814 0.478459 O\n0.331355 0.809814 0.002671 O\n0.639209 0.690833 0.984548 O\n0.793715 0.845339 0.984548 O\n0.360791 0.345339 0.051624 O\n0.162698 0.694121 0.005055 O\n0.189066 0.194121 0.531423 O\n",
"nsites": 24,
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"volume": 334.17357724545354,
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"formula_full": "Sr4 V4 Ga2 O14",
"formula_reduced": "Sr2V2GaO7",
"formula_anonymous": "AB2C2D7",
"energy": -179.70947315,
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"updated_at": "2021-11-28T01:34:59.927000Z",
"spacegroup": 46
},
{
"id": "mp-1179014",
"created_at": "2022-09-04T14:42:48.587044Z",
"structure_string": "Sr1 V1 Cu3 Se4\n1.0\n6.070482 0.000000 0.000000\n0.000000 6.070482 0.000000\n0.000000 0.000000 6.070482\nSr V Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.225893 0.225893 0.225893 Se\n0.774107 0.774107 0.225893 Se\n0.225893 0.774107 0.774107 Se\n0.774107 0.225893 0.774107 Se\n",
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"elements": [
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],
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"density": 4.7881294194188,
"density_atomic": 0.040232125963947325,
"volume": 223.70182495613204,
"volume_molar": 14.968487535052311,
"formula_full": "Sr1 V1 Cu3 Se4",
"formula_reduced": "SrVCu3Se4",
"formula_anonymous": "ABC3D4",
"energy": -43.94857583,
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},
{
"id": "mp-504871",
"created_at": "2022-09-04T14:44:53.661507Z",
"structure_string": "Sr4 V8 Cu4 O28\n1.0\n5.538994 0.000000 0.000000\n0.000000 7.515764 0.000000\n0.000000 0.000000 14.705481\nSr V Cu O\n4 8 4 28\ndirect\n0.250000 0.616239 0.698951 Sr\n0.750000 0.383761 0.301049 Sr\n0.750000 0.116239 0.801049 Sr\n0.250000 0.883761 0.198951 Sr\n0.250000 0.357494 0.888476 V\n0.750000 0.642506 0.111524 V\n0.750000 0.857494 0.611524 V\n0.250000 0.142506 0.388476 V\n0.250000 0.885738 0.911423 V\n0.750000 0.114262 0.088577 V\n0.750000 0.385738 0.588577 V\n0.250000 0.614262 0.411423 V\n0.250000 0.111219 0.636353 Cu\n0.750000 0.888781 0.363647 Cu\n0.750000 0.611219 0.863647 Cu\n0.250000 0.388781 0.136353 Cu\n0.250000 0.427099 0.994738 O\n0.750000 0.572901 0.005262 O\n0.750000 0.927099 0.505262 O\n0.250000 0.072901 0.494738 O\n0.250000 0.117241 0.869954 O\n0.750000 0.882759 0.130046 O\n0.750000 0.617241 0.630046 O\n0.250000 0.382759 0.369954 O\n0.002674 0.563706 0.172010 O\n0.502674 0.436294 0.827990 O\n0.997326 0.063706 0.327990 O\n0.497326 0.936294 0.672010 O\n0.997326 0.436294 0.827990 O\n0.497326 0.563706 0.172010 O\n0.002674 0.936294 0.672010 O\n0.502674 0.063706 0.327990 O\n0.502305 0.704443 0.358099 O\n0.002305 0.295557 0.641901 O\n0.497695 0.204443 0.141901 O\n0.997695 0.795557 0.858099 O\n0.497695 0.295557 0.641901 O\n0.997695 0.704443 0.358099 O\n0.502305 0.795557 0.858099 O\n0.002305 0.204443 0.141901 O\n0.250000 0.634750 0.525325 O\n0.750000 0.365250 0.474675 O\n0.750000 0.134750 0.974675 O\n0.250000 0.865250 0.025325 O\n",
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"density": 3.960700394126281,
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"formula_full": "Sr4 V8 Cu4 O28",
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"spacegroup": 62
},
{
"id": "mp-1043859",
"created_at": "2022-09-04T14:45:21.120768Z",
"structure_string": "Sr4 V2 Cu4 O14\n1.0\n12.535471 3.762399 0.000000\n-12.535471 3.762399 0.000000\n0.000000 3.677360 3.773720\nSr V Cu O\n4 2 4 14\ndirect\n0.373760 0.149961 0.006953 Sr\n0.627900 0.851253 0.026612 Sr\n0.851253 0.627900 0.026612 Sr\n0.149961 0.373760 0.006953 Sr\n0.831064 0.831064 0.370362 V\n0.189803 0.189803 0.520680 V\n0.436263 0.058419 0.524017 Cu\n0.564420 0.942921 0.511973 Cu\n0.942921 0.564420 0.511973 Cu\n0.058419 0.436263 0.524017 Cu\n0.132928 0.132928 0.211613 O\n0.860391 0.860391 0.999716 O\n0.675825 0.325185 0.020642 O\n0.327204 0.676420 0.514083 O\n0.676420 0.327204 0.514083 O\n0.325185 0.675825 0.020642 O\n0.171535 0.827617 0.021976 O\n0.829379 0.171150 0.514981 O\n0.171150 0.829379 0.514981 O\n0.827617 0.171535 0.021976 O\n0.752151 0.635214 0.598190 O\n0.236996 0.363416 0.485208 O\n0.363416 0.236996 0.485208 O\n0.635214 0.752151 0.598190 O\n",
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"formula_full": "Sr4 V2 Cu4 O14",
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"spacegroup": 8
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{
"id": "mp-1195702",
"created_at": "2022-09-04T14:44:44.466779Z",
"structure_string": "Sr4 V8 Co8 O32\n1.0\n-6.225955 6.225955 4.254777\n6.225955 -6.225955 4.254777\n6.225955 6.225955 -4.254777\nSr V Co O\n4 8 8 32\ndirect\n0.506037 0.006037 0.500000 Sr\n0.006037 0.506037 0.500000 Sr\n0.256037 0.256037 0.000000 Sr\n0.756037 0.756037 0.000000 Sr\n0.511664 0.829559 0.158822 V\n0.011664 0.852842 0.682105 V\n0.602842 0.261664 0.182105 V\n0.579559 0.761664 0.658822 V\n0.670737 0.352842 0.841178 V\n0.170737 0.329559 0.317895 V\n0.079559 0.420737 0.817895 V\n0.102842 0.920737 0.341178 V\n0.389454 0.891968 0.835893 Co\n0.889454 0.053561 0.497486 Co\n0.803561 0.139454 0.997486 Co\n0.641968 0.639454 0.335893 Co\n0.056074 0.553561 0.164107 Co\n0.556074 0.391968 0.502514 Co\n0.141968 0.806074 0.002514 Co\n0.303561 0.306074 0.664107 Co\n0.004556 0.856885 0.860166 O\n0.504556 0.644390 0.147671 O\n0.394390 0.754556 0.647671 O\n0.606885 0.254556 0.360166 O\n0.996719 0.144390 0.139834 O\n0.496719 0.356885 0.852329 O\n0.106885 0.746719 0.352329 O\n0.894390 0.246719 0.639834 O\n0.311801 0.137978 0.490268 O\n0.811801 0.321533 0.173823 O\n0.071533 0.061801 0.673823 O\n0.887978 0.561801 0.990268 O\n0.647710 0.821533 0.509732 O\n0.147710 0.637978 0.826177 O\n0.387978 0.397710 0.326177 O\n0.571533 0.897710 0.009732 O\n0.528928 0.553641 0.659542 O\n0.028928 0.369386 0.975287 O\n0.119386 0.278928 0.475287 O\n0.303641 0.778928 0.159542 O\n0.894100 0.869386 0.340458 O\n0.394100 0.053641 0.024713 O\n0.803641 0.644100 0.524713 O\n0.619386 0.144100 0.840458 O\n0.190512 0.861050 0.674142 O\n0.690512 0.016371 0.329462 O\n0.766371 0.940512 0.829462 O\n0.611050 0.440512 0.174142 O\n0.186908 0.516371 0.325858 O\n0.686908 0.361050 0.670538 O\n0.111050 0.936908 0.170538 O\n0.266371 0.436908 0.825858 O\n",
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"elements": [
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],
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"density": 4.383423615113482,
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"volume": 659.7034404036949,
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"formula_full": "Sr4 V8 Co8 O32",
"formula_reduced": "SrV2(CoO4)2",
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"energy": -412.31377583,
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},
{
"id": "mp-558871",
"created_at": "2022-09-04T14:41:07.620071Z",
"structure_string": "Sr4 V4 Cl4 O12\n1.0\n5.334272 0.000000 0.000000\n0.000000 7.085691 0.000000\n0.000000 0.000000 10.245809\nSr V Cl O\n4 4 4 12\ndirect\n0.750000 0.903037 0.811264 Sr\n0.750000 0.596963 0.311264 Sr\n0.250000 0.096963 0.188736 Sr\n0.250000 0.403037 0.688736 Sr\n0.750000 0.058168 0.462334 V\n0.750000 0.441832 0.962334 V\n0.250000 0.558168 0.037666 V\n0.250000 0.941832 0.537666 V\n0.250000 0.432658 0.391849 Cl\n0.250000 0.067342 0.891849 Cl\n0.750000 0.932658 0.108151 Cl\n0.750000 0.567342 0.608151 Cl\n0.750000 0.261364 0.861381 O\n0.005998 0.904106 0.400258 O\n0.494002 0.904106 0.400258 O\n0.994002 0.095894 0.599742 O\n0.750000 0.238636 0.361381 O\n0.250000 0.738636 0.138619 O\n0.494002 0.595894 0.900258 O\n0.505998 0.095894 0.599742 O\n0.005998 0.595894 0.900258 O\n0.250000 0.761364 0.638619 O\n0.994002 0.404106 0.099742 O\n0.505998 0.404106 0.099742 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 3.807880277654851,
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"volume": 387.2608745550077,
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"formula_full": "Sr4 V4 Cl4 O12",
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"updated_at": "2021-11-28T01:35:09.777000Z",
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},
{
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