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{
"id": "mp-1211181",
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"structure_string": "Na4 P4 O26\n1.0\n4.173362 5.706714 0.000000\n-4.173362 5.706714 0.000000\n0.000000 5.340185 11.091489\nNa P O\n4 4 26\ndirect\n0.392430 0.099214 0.763195 Na\n0.607570 0.900786 0.236805 Na\n0.900786 0.607570 0.736805 Na\n0.099214 0.392430 0.263195 Na\n0.286270 0.477854 0.866701 P\n0.713730 0.522146 0.133299 P\n0.522146 0.713730 0.633299 P\n0.477854 0.286270 0.366701 P\n0.619969 0.090345 0.346064 O\n0.380031 0.909655 0.653936 O\n0.909655 0.380031 0.153936 O\n0.090345 0.619969 0.846064 O\n0.483433 0.516567 0.750000 O\n0.516567 0.483433 0.250000 O\n0.416413 0.659950 0.538504 O\n0.583587 0.340050 0.461496 O\n0.340050 0.583587 0.961496 O\n0.659950 0.416413 0.038504 O\n0.309613 0.250421 0.914796 O\n0.690387 0.749579 0.085204 O\n0.749579 0.690387 0.585204 O\n0.250421 0.309613 0.414796 O\n0.821332 0.078190 0.883023 O\n0.178668 0.921810 0.116977 O\n0.921810 0.178668 0.616977 O\n0.078190 0.821332 0.383023 O\n0.945301 0.191264 0.850381 O\n0.054699 0.808736 0.149619 O\n0.808736 0.054699 0.649619 O\n0.191264 0.945301 0.350381 O\n0.324622 0.498202 0.585079 O\n0.675378 0.501798 0.414921 O\n0.501798 0.675378 0.914921 O\n0.498202 0.324622 0.085079 O\n",
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"formula_full": "Na4 P4 O26",
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{
"id": "mp-778284",
"created_at": "2022-09-04T14:39:42.191713Z",
"structure_string": "Li4 V3 Co2 Sn3 O16\n1.0\n6.090651 0.000000 0.000000\n-3.019853 5.340140 0.000000\n-0.042888 -0.034695 9.836725\nLi V Co Sn O\n4 3 2 3 16\ndirect\n0.633202 0.319640 0.892232 Li\n0.038292 0.016699 0.992584 Li\n0.007646 0.998129 0.500597 Li\n0.326078 0.657590 0.396322 Li\n0.342692 0.166565 0.217900 V\n0.127110 0.775206 0.734498 V\n0.189361 0.322824 0.699466 V\n0.679916 0.350765 0.495140 Co\n0.342201 0.669935 0.996046 Co\n0.836874 0.170229 0.212679 Sn\n0.834062 0.663222 0.213175 Sn\n0.654365 0.842842 0.714934 Sn\n0.854014 0.172795 0.601639 O\n0.968773 0.478287 0.338364 O\n0.658434 0.329256 0.098797 O\n0.012748 0.004255 0.318010 O\n0.012009 0.005102 0.809109 O\n0.848261 0.690111 0.603842 O\n0.500207 0.033341 0.329150 O\n0.514731 0.479240 0.333929 O\n0.699364 0.853442 0.091724 O\n0.329503 0.191720 0.598086 O\n0.461741 0.513424 0.833093 O\n0.453728 0.963055 0.832549 O\n0.306944 0.658781 0.608070 O\n0.185763 0.317683 0.107532 O\n0.008062 0.507847 0.834110 O\n0.173920 0.847716 0.104268 O\n",
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"elements": [
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],
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"volume_molar": 6.8811299390771286,
"formula_full": "Li4 V3 Co2 Sn3 O16",
"formula_reduced": "Li4V3Co2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -200.1462849,
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"spacegroup": 1
},
{
"id": "mp-21415",
"created_at": "2022-09-04T14:39:42.224699Z",
"structure_string": "Dy1 Ni2 Ge2\n1.0\n-2.028147 2.028147 4.896746\n2.028147 -2.028147 4.896746\n2.028147 2.028147 -4.896746\nDy Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.628236 0.628236 0.000000 Ge\n0.371764 0.371764 0.000000 Ge\n",
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"density": 8.762782140403827,
"density_atomic": 0.062058829048931334,
"volume": 80.56871321335544,
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"formula_full": "Dy1 Ni2 Ge2",
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"formula_anonymous": "AB2C2",
"energy": -28.86115961,
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"updated_at": "2021-11-28T01:34:32.001000Z",
"spacegroup": 139
},
{
"id": "mp-13018",
"created_at": "2022-09-04T14:39:42.233671Z",
"structure_string": "U1 Co4 Sn1\n1.0\n0.000000 3.493443 3.493443\n3.493443 0.000000 3.493443\n3.493443 3.493443 0.000000\nU Co Sn\n1 4 1\ndirect\n0.000000 0.000000 0.000000 U\n0.623484 0.129547 0.623484 Co\n0.623484 0.623484 0.623484 Co\n0.129547 0.623484 0.623484 Co\n0.623484 0.623484 0.129547 Co\n0.250000 0.250000 0.250000 Sn\n",
"nsites": 6,
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"elements": [
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],
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"density": 11.537872100419325,
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"volume": 85.26896281540242,
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"formula_full": "U1 Co4 Sn1",
"formula_reduced": "UCo4Sn",
"formula_anonymous": "ABC4",
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"updated_at": "2021-11-28T01:34:40.634000Z",
"spacegroup": 216
},
{
"id": "mp-759091",
"created_at": "2022-09-04T14:39:42.233694Z",
"structure_string": "Li4 Fe2 P8 O26\n1.0\n5.109606 0.000000 0.000000\n1.280208 7.919135 0.000000\n1.550758 2.226767 13.482914\nLi Fe P O\n4 2 8 26\ndirect\n0.075918 0.326100 0.005954 Li\n0.347127 0.329061 0.472108 Li\n0.652873 0.670939 0.527892 Li\n0.924082 0.673900 0.994046 Li\n0.430523 0.055808 0.259065 Fe\n0.569477 0.944192 0.740935 Fe\n0.995699 0.902421 0.153567 P\n0.129234 0.793258 0.641091 P\n0.296857 0.667419 0.301356 P\n0.349582 0.575181 0.820069 P\n0.650418 0.424819 0.179931 P\n0.703143 0.332581 0.698644 P\n0.870766 0.206742 0.358909 P\n0.004301 0.097579 0.846433 P\n0.154267 0.040428 0.168591 O\n0.172463 0.149303 0.364442 O\n0.032289 0.746981 0.246956 O\n0.071923 0.827336 0.058871 O\n0.232423 0.526724 0.381380 O\n0.143453 0.642009 0.737809 O\n0.305781 0.036079 0.844652 O\n0.260717 0.719352 0.551563 O\n0.454460 0.298566 0.185493 O\n0.193359 0.528614 0.917058 O\n0.495878 0.600892 0.210950 O\n0.271320 0.935678 0.663474 O\n0.415725 0.812664 0.329709 O\n0.584275 0.187336 0.670291 O\n0.728680 0.064322 0.336526 O\n0.504122 0.399108 0.789050 O\n0.806641 0.471386 0.082942 O\n0.545540 0.701434 0.814507 O\n0.739283 0.280648 0.448437 O\n0.694219 0.963921 0.155348 O\n0.856547 0.357991 0.262191 O\n0.767577 0.473276 0.618620 O\n0.928077 0.172664 0.941129 O\n0.967711 0.253019 0.753044 O\n0.827537 0.850697 0.635558 O\n0.845733 0.959572 0.831409 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 2.4447771669694953,
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"formula_full": "Li4 Fe2 P8 O26",
"formula_reduced": "Li2FeP4O13",
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"energy": -294.28449746,
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{
"id": "mp-1176192",
"created_at": "2022-09-04T14:39:42.250249Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.988400 0.000000 0.000000\n0.393363 9.895809 0.000000\n0.383763 2.037627 9.791851\nLi Mn Co O\n9 2 5 16\ndirect\n0.006361 0.249685 0.128349 Li\n0.511264 0.752594 0.128755 Li\n0.499946 0.251668 0.375759 Li\n0.003769 0.748356 0.376174 Li\n0.007481 0.252504 0.622213 Li\n0.500815 0.738343 0.630994 Li\n0.490461 0.256020 0.867260 Li\n0.986179 0.745267 0.867349 Li\n0.015324 0.510502 0.749791 Li\n0.009710 0.000992 0.998591 Mn\n0.489623 0.500500 0.994426 Mn\n0.509184 0.998851 0.253096 Co\n0.986868 0.496017 0.252089 Co\n0.992268 0.999901 0.501551 Co\n0.510284 0.499253 0.509307 Co\n0.484359 0.000923 0.747741 Co\n0.547614 0.117321 0.071079 O\n0.973781 0.603867 0.065177 O\n0.993023 0.115065 0.320022 O\n0.528998 0.606741 0.320962 O\n0.478527 0.112568 0.567577 O\n0.043187 0.614461 0.554330 O\n0.026886 0.118501 0.813997 O\n0.502268 0.618535 0.827232 O\n0.460226 0.386995 0.185568 O\n0.023529 0.882328 0.182618 O\n0.972699 0.388818 0.432444 O\n0.510164 0.884391 0.431455 O\n0.502397 0.384543 0.666553 O\n0.952979 0.886336 0.682825 O\n0.010896 0.391571 0.946149 O\n0.468930 0.886580 0.928569 O\n",
"nsites": 32,
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-760697",
"created_at": "2022-09-04T14:39:42.266901Z",
"structure_string": "Ga2 H14 N4 F8\n1.0\n3.426237 5.358088 0.000000\n-3.426237 5.358088 0.000000\n0.000000 3.694210 6.615059\nGa H N F\n2 14 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.791713 0.791713 0.926612 H\n0.528921 0.528921 0.766452 H\n0.804668 0.563893 0.663482 H\n0.563893 0.804668 0.663482 H\n0.384071 0.141123 0.856485 H\n0.141123 0.384071 0.856485 H\n0.636647 0.636647 0.511263 H\n0.363353 0.363353 0.488737 H\n0.615929 0.858877 0.143515 H\n0.858877 0.615929 0.143515 H\n0.436107 0.195332 0.336518 H\n0.195332 0.436107 0.336518 H\n0.471079 0.471079 0.233548 H\n0.208287 0.208287 0.073388 H\n0.208489 0.208489 0.938051 N\n0.631732 0.631732 0.649156 N\n0.368268 0.368268 0.350844 N\n0.791511 0.791511 0.061949 N\n0.724270 0.275730 0.000000 F\n0.275730 0.724270 0.000000 F\n0.930716 0.930716 0.302534 F\n0.662737 0.056755 0.649756 F\n0.056755 0.662737 0.649756 F\n0.943245 0.337263 0.350244 F\n0.337263 0.943245 0.350244 F\n0.069284 0.069284 0.697466 F\n",
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{
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"created_at": "2022-09-04T14:39:42.271538Z",
"structure_string": "Zr10 Cu2 Sb6\n1.0\n4.320376 -7.483110 0.000000\n4.320376 7.483110 0.000000\n0.000000 0.000000 5.845213\nZr Cu Sb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.734735 0.734735 0.750000 Zr\n0.265265 0.000000 0.750000 Zr\n0.000000 0.265265 0.750000 Zr\n0.265265 0.265265 0.250000 Zr\n0.734735 0.000000 0.250000 Zr\n0.000000 0.734735 0.250000 Zr\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.384843 0.384843 0.750000 Sb\n0.615157 0.000000 0.750000 Sb\n0.000000 0.615157 0.750000 Sb\n0.615157 0.615157 0.250000 Sb\n0.384843 0.000000 0.250000 Sb\n0.000000 0.384843 0.250000 Sb\n",
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"formula_full": "Zr10 Cu2 Sb6",
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{
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"structure_string": "Bi2 Pd4 Pb2\n1.0\n4.426478 3.665990 0.000000\n-4.426478 3.665990 0.000000\n0.000000 1.802097 5.374753\nBi Pd Pb\n2 4 2\ndirect\n0.053975 0.505593 0.427312 Bi\n0.505593 0.053975 0.427312 Bi\n0.658628 0.171282 0.870360 Pd\n0.171282 0.658628 0.870360 Pd\n0.960309 0.960309 0.535739 Pd\n0.552191 0.552191 0.523364 Pd\n0.127012 0.127012 0.988891 Pb\n0.640010 0.640010 0.992663 Pb\n",
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{
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}