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{
"id": "mp-1206007",
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"structure_string": "Sr2 U1 In1 O6\n1.0\n0.000000 4.277653 4.277653\n4.277653 0.000000 4.277653\n4.277653 4.277653 0.000000\nSr U In O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 In\n0.751191 0.248809 0.248809 O\n0.248809 0.751191 0.751191 O\n0.248809 0.751191 0.248809 O\n0.751191 0.248809 0.751191 O\n0.248809 0.248809 0.751191 O\n0.751191 0.751191 0.248809 O\n",
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{
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"structure_string": "Sr4 U8 I8 O52\n1.0\n0.000000 -6.963605 0.000000\n-7.814209 0.000000 1.281186\n-0.018564 0.000000 -21.801493\nSr U I O\n4 8 8 52\ndirect\n0.626621 0.134168 0.631455 Sr\n0.126621 0.865832 0.868545 Sr\n0.373379 0.865832 0.368545 Sr\n0.873379 0.134168 0.131455 Sr\n0.823481 0.611565 0.625645 U\n0.323481 0.388435 0.874355 U\n0.176519 0.388435 0.374355 U\n0.676519 0.611565 0.125645 U\n0.803781 0.473794 0.779651 U\n0.303781 0.526206 0.720349 U\n0.196219 0.526206 0.220349 U\n0.696219 0.473794 0.279651 U\n0.819780 0.835461 0.471132 I\n0.319780 0.164539 0.028868 I\n0.180220 0.164539 0.528868 I\n0.680220 0.835461 0.971132 I\n0.324836 0.701483 0.550424 I\n0.824836 0.298517 0.949576 I\n0.675164 0.298517 0.449576 I\n0.175164 0.701483 0.050424 I\n0.910833 0.683968 0.520497 O\n0.410833 0.316032 0.979503 O\n0.089167 0.316032 0.479503 O\n0.589167 0.683968 0.020497 O\n0.562833 0.781738 0.466370 O\n0.062833 0.218262 0.033630 O\n0.437167 0.218262 0.533630 O\n0.937167 0.781738 0.966370 O\n0.818040 0.029409 0.530238 O\n0.318040 0.970591 0.969762 O\n0.181960 0.970591 0.469762 O\n0.681960 0.029409 0.030238 O\n0.185187 0.616788 0.611660 O\n0.685187 0.383212 0.888340 O\n0.814813 0.383212 0.388340 O\n0.314813 0.616788 0.111660 O\n0.544568 0.591040 0.567907 O\n0.044568 0.408960 0.932093 O\n0.455432 0.408960 0.432093 O\n0.955432 0.591040 0.067907 O\n0.357389 0.916355 0.592316 O\n0.857389 0.083645 0.907684 O\n0.642611 0.083645 0.407684 O\n0.142611 0.916355 0.092316 O\n0.842795 0.376543 0.596430 O\n0.342795 0.623457 0.903570 O\n0.157205 0.623457 0.403570 O\n0.657205 0.376543 0.096430 O\n0.788622 0.845262 0.648287 O\n0.288622 0.154738 0.851713 O\n0.211378 0.154738 0.351713 O\n0.711378 0.845262 0.148287 O\n0.615687 0.551472 0.696013 O\n0.115687 0.448528 0.803987 O\n0.384313 0.448528 0.303987 O\n0.884313 0.551472 0.196013 O\n0.808776 0.254723 0.732305 O\n0.308776 0.745277 0.767695 O\n0.191224 0.745277 0.267695 O\n0.691224 0.254723 0.232305 O\n0.804388 0.690840 0.827427 O\n0.304388 0.309160 0.672573 O\n0.195612 0.309160 0.172573 O\n0.695612 0.690840 0.327427 O\n0.986990 0.572688 0.708072 O\n0.486990 0.427312 0.791928 O\n0.013010 0.427312 0.291928 O\n0.513010 0.572688 0.208072 O\n0.515354 0.025845 0.735262 O\n0.015354 0.974155 0.764738 O\n0.484646 0.974155 0.264738 O\n0.984646 0.025845 0.235262 O\n",
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"elements": [
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"volume": 1186.4952776568866,
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"formula_full": "Sr4 U8 I8 O52",
"formula_reduced": "SrU2I2O13",
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"energy": -527.99137164,
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"updated_at": "2021-11-28T01:36:15.364000Z",
"spacegroup": 14
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{
"id": "mp-1218655",
"created_at": "2022-09-04T14:42:58.768379Z",
"structure_string": "Sr6 U2 Fe4 O18\n1.0\n-2.875909 4.118563 8.727201\n2.875909 -4.118563 8.727201\n2.875909 4.118563 -8.727201\nSr U Fe O\n6 2 4 18\ndirect\n0.781612 0.500000 0.281612 Sr\n0.379310 0.149201 0.230109 Sr\n0.080908 0.850799 0.230109 Sr\n0.218388 0.500000 0.718388 Sr\n0.919092 0.149201 0.769891 Sr\n0.620690 0.850799 0.769891 Sr\n0.668556 0.668556 0.000000 U\n0.331444 0.331444 0.000000 U\n0.500000 0.000000 0.500000 Fe\n0.163233 0.663233 0.500000 Fe\n0.836767 0.336767 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.747252 0.000000 0.747252 O\n0.410796 0.663904 0.746891 O\n0.082987 0.336096 0.746891 O\n0.585039 0.841782 0.256743 O\n0.245471 0.493348 0.247877 O\n0.917239 0.167977 0.250737 O\n0.414961 0.671704 0.256743 O\n0.082761 0.333498 0.250737 O\n0.754529 0.002406 0.247877 O\n0.252748 0.000000 0.252748 O\n0.917013 0.663904 0.253109 O\n0.589204 0.336096 0.253109 O\n0.414961 0.158218 0.743257 O\n0.082761 0.832023 0.749263 O\n0.754529 0.506652 0.752123 O\n0.585039 0.328296 0.743257 O\n0.245471 0.997594 0.752123 O\n0.917239 0.666502 0.749263 O\n",
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"elements": [
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"density": 6.076792415390194,
"density_atomic": 0.072554680061611,
"volume": 413.48125268452713,
"volume_molar": 8.300141017624501,
"formula_full": "Sr6 U2 Fe4 O18",
"formula_reduced": "Sr3UFe2O9",
"formula_anonymous": "AB2C3D9",
"energy": -242.48950922,
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"updated_at": "2021-11-28T01:36:02.773000Z",
"spacegroup": 71
},
{
"id": "mp-559166",
"created_at": "2022-09-04T14:42:38.052817Z",
"structure_string": "Sr4 U2 Fe2 O12\n1.0\n5.979785 0.000000 0.000000\n0.000000 5.899047 0.000000\n0.000000 5.863636 8.188388\nSr U Fe O\n4 2 2 12\ndirect\n0.458564 0.260492 0.248741 Sr\n0.041436 0.260492 0.748741 Sr\n0.541436 0.739508 0.751259 Sr\n0.958564 0.739508 0.251259 Sr\n0.500000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.797085 0.676750 0.543137 O\n0.220464 0.752808 0.044837 O\n0.779536 0.247192 0.955163 O\n0.297085 0.323250 0.956863 O\n0.702915 0.676750 0.043137 O\n0.279536 0.752808 0.544837 O\n0.476765 0.167248 0.748694 O\n0.976765 0.832752 0.751306 O\n0.202915 0.323250 0.456863 O\n0.720464 0.247192 0.455163 O\n0.023235 0.167248 0.248694 O\n0.523235 0.832752 0.251306 O\n",
"nsites": 20,
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"elements": [
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],
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"volume": 288.84565499167303,
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"formula_full": "Sr4 U2 Fe2 O12",
"formula_reduced": "Sr2UFeO6",
"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-1078269",
"created_at": "2022-09-04T14:44:12.424922Z",
"structure_string": "Sr2 U1 Cu2 S5\n1.0\n2.000123 6.577972 0.000000\n-2.000123 6.577972 0.000000\n0.000000 4.172031 8.389131\nSr U Cu S\n2 1 2 5\ndirect\n0.171689 0.171689 0.297039 Sr\n0.828311 0.828311 0.702961 Sr\n0.000000 0.000000 0.000000 U\n0.560106 0.560106 0.698906 Cu\n0.439894 0.439894 0.301094 Cu\n0.156909 0.156909 0.692537 S\n0.843091 0.843091 0.307463 S\n0.383762 0.383762 0.931342 S\n0.616238 0.616238 0.068658 S\n0.500000 0.500000 0.500000 S\n",
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"elements": [
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],
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"density": 5.270803013776253,
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"volume": 220.7474504226583,
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"formula_full": "Sr2 U1 Cu2 S5",
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"spacegroup": 12
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{
"id": "mp-1179407",
"created_at": "2022-09-04T14:40:17.834206Z",
"structure_string": "Sr2 U4 Cr4 O44\n1.0\n9.078871 0.000000 0.000000\n-0.730872 9.978394 0.000000\n-1.323826 -3.742904 10.484753\nSr U Cr O\n2 4 4 44\ndirect\n0.749279 0.364578 0.329494 Sr\n0.250721 0.635422 0.670506 Sr\n0.955884 0.644258 0.954953 U\n0.044116 0.355742 0.045047 U\n0.523672 0.856281 0.552424 U\n0.476328 0.143719 0.447576 U\n0.648455 0.533356 0.653390 Cr\n0.351545 0.466644 0.346610 Cr\n0.766497 0.992711 0.909086 Cr\n0.233503 0.007289 0.090914 Cr\n0.068587 0.614631 0.819775 O\n0.931413 0.385369 0.180225 O\n0.848147 0.709891 0.084788 O\n0.151853 0.290109 0.915212 O\n0.331928 0.836631 0.594485 O\n0.668072 0.163369 0.405515 O\n0.717652 0.845516 0.527011 O\n0.282348 0.154484 0.472989 O\n0.886058 0.428180 0.930527 O\n0.113942 0.571820 0.069473 O\n0.459590 0.916990 0.389596 O\n0.540410 0.083010 0.610404 O\n0.873494 0.870259 0.913806 O\n0.126506 0.129741 0.086194 O\n0.631848 0.938262 0.787706 O\n0.368152 0.061738 0.212294 O\n0.689325 0.037665 0.067633 O\n0.310675 0.962335 0.932367 O\n0.863424 0.141039 0.919836 O\n0.136576 0.858961 0.080164 O\n0.735997 0.588265 0.802451 O\n0.264003 0.411735 0.197549 O\n0.556270 0.372565 0.617500 O\n0.443730 0.627435 0.382500 O\n0.521999 0.646620 0.640629 O\n0.478001 0.353380 0.359371 O\n0.769705 0.526384 0.553319 O\n0.230295 0.473616 0.446681 O\n0.637881 0.161468 0.100487 O\n0.362119 0.838532 0.899513 O\n0.642015 0.624380 0.226087 O\n0.357985 0.375620 0.773913 O\n0.419680 0.290441 0.824529 O\n0.580320 0.709559 0.175471 O\n0.527279 0.343154 0.916222 O\n0.472721 0.656846 0.083778 O\n0.076924 0.006424 0.627472 O\n0.923076 0.993576 0.372528 O\n0.928366 0.259038 0.652375 O\n0.071634 0.740962 0.347625 O\n0.997517 0.318790 0.591823 O\n0.002483 0.681210 0.408177 O\n0.958664 0.092365 0.334570 O\n0.041336 0.907635 0.665430 O\n",
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"elements": [
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"chemical_system": "Cr-O-Sr-U",
"density": 3.565187902298068,
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"volume": 949.8405304493067,
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"formula_full": "Sr2 U4 Cr4 O44",
"formula_reduced": "SrU2Cr2O22",
"formula_anonymous": "AB2C2D22",
"energy": -376.10340595,
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"updated_at": "2021-11-28T01:34:52.818000Z",
"spacegroup": 2
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{
"id": "mp-1205705",
"created_at": "2022-09-04T14:40:43.381822Z",
"structure_string": "Sr2 U1 Cr1 O6\n1.0\n0.000000 4.135092 4.135092\n4.135092 0.000000 4.135092\n4.135092 4.135092 0.000000\nSr U Cr O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Cr\n0.742379 0.257621 0.257621 O\n0.257621 0.742379 0.742379 O\n0.257621 0.742378 0.257622 O\n0.742379 0.257621 0.742379 O\n0.257621 0.257621 0.742379 O\n0.742379 0.742379 0.257621 O\n",
"nsites": 10,
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"elements": [
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"density": 6.590657688462859,
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"volume": 141.4117591801934,
"volume_molar": 8.516015189023468,
"formula_full": "Sr2 U1 Cr1 O6",
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"spacegroup": 225
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{
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"structure_string": "Sr4 U2 Co2 O12\n1.0\n5.867781 0.000000 0.000000\n0.000000 5.838539 0.000000\n0.000000 5.787583 8.258607\nSr U Co O\n4 2 2 12\ndirect\n0.466579 0.261737 0.248188 Sr\n0.033421 0.261737 0.748188 Sr\n0.533421 0.738263 0.751812 Sr\n0.966579 0.738263 0.251812 Sr\n0.500000 0.000000 0.000000 U\n0.000000 0.000000 0.500000 U\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.278445 0.740744 0.544024 O\n0.778445 0.259256 0.955976 O\n0.721555 0.259256 0.455976 O\n0.221555 0.740744 0.044024 O\n0.216428 0.320110 0.460077 O\n0.716428 0.679890 0.039923 O\n0.783572 0.679890 0.539923 O\n0.283572 0.320110 0.960077 O\n0.480558 0.167558 0.753584 O\n0.980558 0.832442 0.746416 O\n0.019442 0.167558 0.253584 O\n0.519442 0.832442 0.246416 O\n",
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{
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