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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=91",
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"results": [
{
"id": "oqmd-1002102",
"created_at": "2022-09-04T15:26:46.790180Z",
"updated_at": "2022-09-04T15:26:46.790217Z",
"structure_string": "Li8 Co8 Ni8 O32\n1.0\n7.989586 -0.013110 -0.055586\n-0.011977 7.964573 0.013754\n-0.007400 0.013024 8.033394\nCo Li Ni O\n8 8 8 32\ndirect\n0.496061 0.499672 0.005096 Co\n0.249837 0.997701 0.248384 Co\n0.747652 0.498467 0.253803 Co\n0.504029 0.998420 0.497449 Co\n0.997656 0.503117 0.501243 Co\n0.757201 0.002407 0.742447 Co\n0.247724 0.503037 0.754071 Co\n0.002746 0.998567 0.995448 Co\n0.626625 0.123041 0.124686 Li\n0.123243 0.626812 0.126242 Li\n0.877163 0.871005 0.369989 Li\n0.369696 0.374624 0.378237 Li\n0.127461 0.129375 0.622737 Li\n0.625285 0.623514 0.629878 Li\n0.374722 0.875443 0.874182 Li\n0.875334 0.376917 0.874987 Li\n0.247796 0.251581 0.001931 Ni\n0.998982 0.248736 0.249080 Ni\n0.496391 0.745611 0.253741 Ni\n0.752814 0.248709 0.496565 Ni\n0.249709 0.750036 0.501120 Ni\n0.004191 0.753181 0.746112 Ni\n0.499054 0.250280 0.752679 Ni\n0.749080 0.749560 0.998667 Ni\n0.478468 0.265794 0.002699 O\n0.238648 0.016934 0.011750 O\n0.014832 0.234763 0.012135 O\n0.727988 0.497722 0.019965 O\n0.492470 0.732102 0.025061 O\n0.015793 0.996731 0.229080 O\n0.237730 0.233760 0.235594 O\n0.510102 0.512256 0.244054 O\n0.726526 0.732710 0.248210 O\n0.489305 0.980502 0.263900 O\n0.757069 0.265437 0.266164 O\n0.974940 0.508676 0.266897 O\n0.263836 0.759094 0.268700 O\n0.985287 0.266567 0.485839 O\n0.265662 0.985072 0.486348 O\n0.484397 0.761036 0.487017 O\n0.759724 0.481877 0.490235 O\n0.519987 0.228253 0.499207 O\n0.742080 0.014538 0.505369 O\n0.017049 0.740993 0.515234 O\n0.235810 0.517499 0.516045 O\n0.754371 0.231931 0.726030 O\n0.525678 0.991945 0.727199 O\n0.236278 0.741918 0.732387 O\n0.010705 0.520462 0.738011 O\n0.772792 0.767692 0.750834 O\n0.991015 0.988575 0.756571 O\n0.250471 0.266836 0.772324 O\n0.483275 0.501102 0.773933 O\n0.005318 0.769716 0.975899 O\n0.773038 0.002799 0.977458 O\n0.258903 0.484898 0.991077 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Co",
"Li",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.9002680915651835,
"density_atomic": 0.10954870517614938,
"volume": 511.1881506034647,
"volume_molar": 5.497226781746684,
"formula_full": "Li8 Co8 Ni8 O32",
"formula_reduced": "LiCoNiO4",
"formula_anonymous": "ABCD4",
"formation_energy": -1.40077655488582,
"spacegroup": 1
},
{
"id": "oqmd-1002103",
"created_at": "2022-09-04T15:26:48.892269Z",
"updated_at": "2022-09-04T15:26:48.892279Z",
"structure_string": "Li8 Co16 O32\n1.0\n8.008168 0.007898 -0.025511\n0.009713 8.061351 0.015746\n0.023036 0.015619 8.043722\nCo Li O\n16 8 32\ndirect\n0.000447 0.005530 0.000877 Co\n0.248415 0.999160 0.249749 Co\n0.000000 0.251429 0.251757 Co\n0.498038 0.747858 0.252448 Co\n0.748128 0.499211 0.255834 Co\n0.002040 0.498254 0.497109 Co\n0.248254 0.745618 0.498710 Co\n0.503841 0.001188 0.500406 Co\n0.752452 0.251583 0.500684 Co\n0.251076 0.497253 0.747072 Co\n0.998352 0.747041 0.747163 Co\n0.499269 0.249604 0.749794 Co\n0.752942 0.006098 0.752442 Co\n0.501354 0.500248 0.998034 Co\n0.248432 0.249306 0.999550 Co\n0.753288 0.754652 0.999866 Co\n0.122683 0.623165 0.122636 Li\n0.624360 0.126076 0.123060 Li\n0.876762 0.875393 0.377955 Li\n0.374769 0.375231 0.380517 Li\n0.624934 0.622015 0.620541 Li\n0.123340 0.125225 0.623078 Li\n0.876914 0.375583 0.873843 Li\n0.375141 0.876168 0.876014 Li\n0.015260 0.243465 0.016672 O\n0.239366 0.016537 0.017031 O\n0.739981 0.502953 0.022093 O\n0.506618 0.744295 0.022104 O\n0.237725 0.235430 0.237934 O\n0.014864 0.017863 0.240653 O\n0.514104 0.515637 0.250941 O\n0.480676 0.981738 0.251385 O\n0.731643 0.732281 0.252554 O\n0.984090 0.483549 0.258395 O\n0.261038 0.762392 0.261699 O\n0.762901 0.264392 0.263746 O\n0.253657 0.982420 0.480202 O\n0.988857 0.260701 0.482524 O\n0.765533 0.485328 0.484748 O\n0.483414 0.754985 0.484797 O\n0.019430 0.731972 0.498339 O\n0.237648 0.512042 0.511788 O\n0.745065 0.015251 0.516593 O\n0.514607 0.243695 0.518504 O\n0.251100 0.733050 0.728360 O\n0.013264 0.508902 0.732920 O\n0.737528 0.237879 0.736738 O\n0.516268 0.018156 0.748047 O\n0.488639 0.478840 0.752272 O\n0.749996 0.774921 0.754028 O\n0.261772 0.260708 0.763233 O\n0.986661 0.995038 0.765646 O\n0.480089 0.249575 0.982163 O\n0.765767 0.003162 0.983712 O\n0.256527 0.479762 0.985759 O\n0.990669 0.770191 0.995280 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Co",
"Li",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.8300618890595945,
"density_atomic": 0.10784205867565383,
"volume": 519.277920763974,
"volume_molar": 5.58422273642996,
"formula_full": "Li8 Co16 O32",
"formula_reduced": "Li(CoO2)2",
"formula_anonymous": "AB2C4",
"formation_energy": -1.4398648385552,
"spacegroup": 1
},
{
"id": "oqmd-46638",
"created_at": "2022-09-04T15:27:04.552880Z",
"updated_at": "2022-09-04T15:27:04.552905Z",
"structure_string": "Li12 Be6 H24\n1.0\n4.878901 -0.524781 0.084412\n-1.217939 10.851070 0.186351\n0.054069 0.078275 6.274996\nBe H Li\n6 24 12\ndirect\n0.997215 0.036147 0.050741 Be\n0.481594 0.571663 0.205864 Be\n0.882047 0.017839 0.466746 Be\n0.482514 0.637693 0.544191 Be\n0.506146 0.499460 0.776321 Be\n0.405309 0.667340 0.874582 Be\n0.938184 0.901554 0.029761 H\n0.743839 0.274661 0.181646 H\n0.721692 0.517996 0.210730 H\n0.249944 0.463715 0.227335 H\n0.436020 0.937583 0.230830 H\n0.987112 0.073196 0.264395 H\n0.999296 0.753569 0.393347 H\n0.934534 0.426329 0.457286 H\n0.305279 0.241022 0.464879 H\n0.700080 0.901616 0.504360 H\n0.746159 0.112840 0.538112 H\n0.626642 0.530633 0.563023 H\n0.904769 0.387513 0.565370 H\n0.127150 0.010747 0.583826 H\n0.267891 0.565663 0.720741 H\n0.931255 0.290467 0.770482 H\n0.378137 0.895609 0.816828 H\n0.440692 0.371298 0.842144 H\n0.424577 0.966385 0.842269 H\n0.840320 0.459119 0.865749 H\n0.937873 0.517594 0.915675 H\n0.799978 0.074466 0.920505 H\n0.571845 0.586346 0.961832 H\n0.269731 0.114906 0.984251 H\n0.214739 0.831336 0.082605 Li\n0.053351 0.616940 0.252999 Li\n0.699219 0.812199 0.268857 Li\n0.421136 0.109389 0.317506 Li\n0.541767 0.375669 0.347601 Li\n0.958358 0.251276 0.400124 Li\n0.308845 0.871496 0.490167 Li\n0.966652 0.666841 0.676558 Li\n0.107955 0.166862 0.728237 Li\n0.746521 0.879181 0.780598 Li\n0.634871 0.214113 0.921859 Li\n0.098768 0.369731 0.999073 Li\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Be",
"H",
"Li"
],
"chemical_system": "Be-H-Li",
"density": 0.8177408452232167,
"density_atomic": 0.12802468837622033,
"volume": 328.06172413071226,
"volume_molar": 4.703890192103424,
"formula_full": "Li12 Be6 H24",
"formula_reduced": "Li2BeH4",
"formula_anonymous": "AB2C4",
"formation_energy": -0.072898696962386,
"spacegroup": 1
},
{
"id": "oqmd-38601",
"created_at": "2022-09-04T15:27:14.803552Z",
"updated_at": "2022-09-04T15:27:14.803581Z",
"structure_string": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26\n1.0\n14.616669 0.026974 0.002756\n-1.093518 7.039994 0.004812\n-0.463930 -0.071101 5.415385\nBa Ca Na O S Si Ti\n4 1 2 26 2 4 3\ndirect\n0.293974 0.295721 0.067394 Ba\n0.070445 0.540175 0.518817 Ba\n0.379778 0.833751 0.583588 Ba\n0.982817 0.002091 0.997861 Ba\n0.682199 0.143347 0.788378 Ca\n0.681580 0.423689 0.289936 Na\n0.682198 0.682698 0.791304 Na\n0.101035 0.688712 0.025807 O\n0.758671 0.949248 0.030199 O\n0.245374 0.917805 0.064752 O\n0.447518 0.848180 0.097791 O\n0.601063 0.675538 0.126933 O\n0.602663 0.112472 0.127804 O\n0.924538 0.302535 0.235345 O\n0.919461 0.676062 0.236765 O\n0.236132 0.617580 0.279143 O\n0.126656 0.210485 0.307837 O\n0.443395 0.160162 0.344876 O\n0.441518 0.534919 0.346252 O\n0.763950 0.162267 0.452142 O\n0.760769 0.724286 0.452339 O\n0.916706 0.987914 0.482665 O\n0.125161 0.915280 0.533770 O\n0.605525 0.903361 0.548259 O\n0.264411 0.156464 0.563099 O\n0.597718 0.389556 0.631716 O\n0.918736 0.676965 0.726318 O\n0.922764 0.301342 0.728105 O\n0.126911 0.212597 0.754088 O\n0.236834 0.622663 0.833745 O\n0.442024 0.535078 0.852868 O\n0.445024 0.159510 0.855191 O\n0.766801 0.435796 0.951074 O\n0.204878 0.716443 0.050779 S\n0.160548 0.119110 0.539189 S\n0.489707 0.643058 0.111295 Si\n0.491390 0.078585 0.113437 Si\n0.875231 0.194091 0.468200 Si\n0.871873 0.757474 0.469232 Si\n0.681701 0.907915 0.288923 Ti\n0.478400 0.358303 0.608366 Ti\n0.886020 0.477971 0.973607 Ti\n",
"nsites": 42,
"nelements": 7,
"elements": [
"Ba",
"Ca",
"Na",
"O",
"S",
"Si",
"Ti"
],
"chemical_system": "Ba-Ca-Na-O-S-Si-Ti",
"density": 4.085403588271534,
"density_atomic": 0.07534661562400696,
"volume": 557.4238424933043,
"volume_molar": 7.992582958273209,
"formula_full": "Ba4 Na2 Ca1 Ti3 Si4 S2 O26",
"formula_reduced": "Ba4Na2CaTi3Si4(SO13)2",
"formula_anonymous": "AB2C2D3E4F4G26",
"formation_energy": -2.9538654610461,
"spacegroup": 1
},
{
"id": "oqmd-1021499",
"created_at": "2022-09-04T15:28:12.373461Z",
"updated_at": "2022-09-04T15:28:12.373483Z",
"structure_string": "Tm4 O4 F4\n1.0\n6.250603 -0.250392 -0.637095\n-0.240447 5.573296 -1.891549\n-1.418654 -1.213203 5.374285\nF O Tm\n4 4 4\ndirect\n0.248534 0.419225 0.049567 F\n0.478863 0.953863 0.458115 F\n0.941457 0.004091 0.525680 F\n0.803601 0.407254 0.921568 F\n0.646430 0.025763 0.113193 O\n0.698561 0.560411 0.454889 O\n0.328702 0.467551 0.649435 O\n0.092434 0.874030 0.980728 O\n0.582530 0.658330 0.102570 Tm\n0.391657 0.213668 0.273580 Tm\n0.999282 0.440901 0.660021 Tm\n0.787906 0.974913 0.810643 Tm\n",
"nsites": 12,
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"elements": [
"F",
"O",
"Tm"
],
"chemical_system": "F-O-Tm",
"density": 8.12769245513947,
"density_atomic": 0.0720035671708182,
"volume": 166.65840973589144,
"volume_molar": 8.363670018894105,
"formula_full": "Tm4 O4 F4",
"formula_reduced": "TmOF",
"formula_anonymous": "ABC",
"formation_energy": -3.99296008083662,
"spacegroup": 1
},
{
"id": "oqmd-1023437",
"created_at": "2022-09-04T15:28:22.322147Z",
"updated_at": "2022-09-04T15:28:22.322177Z",
"structure_string": "Mg2 Fe2 S2 O2\n1.0\n3.396733 -1.021725 -0.022366\n-2.476624 4.250616 0.224735\n0.058650 0.728797 10.688911\nFe Mg O S\n2 2 2 2\ndirect\n0.340003 0.783386 0.273036 Fe\n0.590390 0.498921 0.748566 Fe\n0.925818 0.898076 0.012249 Mg\n0.226539 0.159339 0.480163 Mg\n0.826608 0.765797 0.347569 O\n0.043295 0.965821 0.835847 O\n0.901892 0.361386 0.096557 S\n0.145468 0.567283 0.581395 S\n",
"nsites": 8,
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"elements": [
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"Mg",
"O",
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],
"chemical_system": "Fe-Mg-O-S",
"density": 3.35925377748656,
"density_atomic": 0.06311272089118478,
"volume": 126.75733017109384,
"volume_molar": 9.541881058151525,
"formula_full": "Mg2 Fe2 S2 O2",
"formula_reduced": "MgFeSO",
"formula_anonymous": "ABCD",
"formation_energy": -1.47055368686825,
"spacegroup": 1
},
{
"id": "oqmd-1024628",
"created_at": "2022-09-04T15:29:32.300460Z",
"updated_at": "2022-09-04T15:29:32.300491Z",
"structure_string": "Pd4 O2 F4\n1.0\n0.114780 0.282512 -5.042744\n-4.876517 -0.257781 0.113279\n2.646201 5.249241 2.161313\nF O Pd\n4 2 4\ndirect\n0.784015 0.760963 0.370175 F\n0.255587 0.571734 0.395961 F\n0.207732 0.229427 0.617856 F\n0.723463 0.416617 0.654515 F\n0.740976 0.084070 0.003594 O\n0.209983 0.957581 0.965304 O\n0.158536 0.788386 0.184915 Pd\n0.511263 0.350734 0.186765 Pd\n0.944259 0.165437 0.803256 Pd\n0.464181 0.675053 0.817655 Pd\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"O",
"Pd"
],
"chemical_system": "F-O-Pd",
"density": 6.892380037504618,
"density_atomic": 0.07777595726531583,
"volume": 128.57443806043,
"volume_molar": 7.742933641378108,
"formula_full": "Pd4 O2 F4",
"formula_reduced": "Pd2OF2",
"formula_anonymous": "AB2C2",
"formation_energy": -0.979491337828193,
"spacegroup": 1
},
{
"id": "oqmd-1037268",
"created_at": "2022-09-04T15:30:32.462886Z",
"updated_at": "2022-09-04T15:30:32.462907Z",
"structure_string": "Cd2 Fe2 Se2 O2\n1.0\n3.713548 -0.467164 -0.058293\n-2.226964 3.804420 0.243119\n-0.186853 0.888906 11.568249\nCd Fe O Se\n2 2 2 2\ndirect\n0.117913 0.103755 0.476661 Cd\n0.981610 0.988952 0.993318 Cd\n0.261682 0.745132 0.275928 Fe\n0.695813 0.516971 0.758240 Fe\n0.744700 0.712476 0.336426 O\n0.177912 0.992733 0.822258 O\n0.771585 0.319881 0.113256 Se\n0.248789 0.620101 0.599290 Se\n",
"nsites": 8,
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"elements": [
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"Fe",
"O",
"Se"
],
"chemical_system": "Cd-Fe-O-Se",
"density": 5.80094303264979,
"density_atomic": 0.053088224314277635,
"volume": 150.69255194222924,
"volume_molar": 11.343646990996449,
"formula_full": "Cd2 Fe2 Se2 O2",
"formula_reduced": "CdFeSeO",
"formula_anonymous": "ABCD",
"formation_energy": -0.807927449823248,
"spacegroup": 1
},
{
"id": "oqmd-1038877",
"created_at": "2022-09-04T15:30:59.977221Z",
"updated_at": "2022-09-04T15:30:59.977248Z",
"structure_string": "Dy4 Ag4 S4 O4\n1.0\n6.391013 -0.013482 -0.299858\n-0.054548 7.258431 -0.002735\n-1.030671 0.013995 6.245712\nAg Dy O S\n4 4 4 4\ndirect\n0.044691 0.699598 0.011330 Ag\n0.950551 0.208390 0.504753 Ag\n0.044826 0.804092 0.504913 Ag\n0.954431 0.295661 0.992057 Ag\n0.560919 0.623045 0.233029 Dy\n0.438381 0.122218 0.264219 Dy\n0.561943 0.876461 0.733375 Dy\n0.439783 0.376314 0.765122 Dy\n0.593602 0.339840 0.102601 O\n0.407357 0.838111 0.395363 O\n0.593775 0.160723 0.602469 O\n0.406428 0.658836 0.895088 O\n0.803334 0.934653 0.160744 S\n0.196956 0.429222 0.335711 S\n0.803838 0.569071 0.662545 S\n0.199190 0.063771 0.836685 S\n",
"nsites": 16,
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"elements": [
"Ag",
"Dy",
"O",
"S"
],
"chemical_system": "Ag-Dy-O-S",
"density": 7.357226329144774,
"density_atomic": 0.055655422934208644,
"volume": 287.4832164857306,
"volume_molar": 10.820402473841389,
"formula_full": "Dy4 Ag4 S4 O4",
"formula_reduced": "DyAgSO",
"formula_anonymous": "ABCD",
"formation_energy": -1.9811578110147,
"spacegroup": 1
},
{
"id": "oqmd-1041138",
"created_at": "2022-09-04T15:31:48.692224Z",
"updated_at": "2022-09-04T15:31:48.692244Z",
"structure_string": "Ba12 Si4 P4 H4 O32\n1.0\n9.839687 0.017482 -0.018643\n0.010250 5.732458 -0.007690\n-3.262237 -0.024708 14.170427\nBa H O P Si\n12 4 32 4 4\ndirect\n0.251107 0.759219 0.005642 Ba\n0.754444 0.241846 0.007667 Ba\n0.151246 0.263285 0.188477 Ba\n0.646299 0.738599 0.188818 Ba\n0.358203 0.760776 0.304382 Ba\n0.841371 0.237832 0.306879 Ba\n0.736822 0.736094 0.495312 Ba\n0.264639 0.255112 0.499605 Ba\n0.645305 0.236561 0.682569 Ba\n0.153724 0.762456 0.691400 Ba\n0.355358 0.260050 0.806043 Ba\n0.847062 0.735614 0.807498 Ba\n0.485629 0.536551 0.498022 H\n0.009196 0.517985 0.501453 H\n0.483409 0.046468 0.993798 H\n0.983660 0.955264 0.995380 H\n0.931429 0.805535 0.000650 O\n0.382079 0.478091 0.136560 O\n0.882491 0.527523 0.140007 O\n0.629298 0.250107 0.153048 O\n0.393868 0.005695 0.153848 O\n0.130458 0.751200 0.156305 O\n0.897532 0.999305 0.160221 O\n0.605617 0.490761 0.342087 O\n0.369032 0.244956 0.343710 O\n0.101188 0.509817 0.345752 O\n0.881669 0.745729 0.349090 O\n0.617788 0.021471 0.360344 O\n0.117302 0.953066 0.372008 O\n0.065651 0.680101 0.497822 O\n0.563484 0.307234 0.500211 O\n0.432470 0.695551 0.502225 O\n0.935918 0.308884 0.503751 O\n0.889481 0.037017 0.633226 O\n0.381495 0.974531 0.642219 O\n0.121436 0.250297 0.652121 O\n0.900555 0.481534 0.655407 O\n0.631081 0.751097 0.657133 O\n0.394896 0.504995 0.659895 O\n0.101561 0.016223 0.842284 O\n0.880716 0.248975 0.845271 O\n0.603513 0.979823 0.846551 O\n0.381667 0.749746 0.848299 O\n0.113537 0.461204 0.859538 O\n0.614707 0.535592 0.863528 O\n0.069689 0.201946 0.993337 O\n0.568916 0.796953 0.996704 O\n0.432292 0.198990 0.997311 O\n0.041323 0.728127 0.384168 P\n0.960947 0.265099 0.613553 P\n0.042067 0.235660 0.883710 P\n0.542974 0.762303 0.887349 P\n0.460365 0.239310 0.119178 Si\n0.961441 0.764695 0.122978 Si\n0.539465 0.260230 0.383303 Si\n0.461131 0.736910 0.622353 Si\n",
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"elements": [
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"density_atomic": 0.07009298457513306,
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"formula_full": "Ba12 Si4 P4 H4 O32",
"formula_reduced": "Ba3SiPHO8",
"formula_anonymous": "ABCD3E8",
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"spacegroup": 1
},
{
"id": "oqmd-1041134",
"created_at": "2022-09-04T15:31:49.206436Z",
"updated_at": "2022-09-04T15:31:49.206450Z",
"structure_string": "Ba12 Si4 P4 H4 O32\n1.0\n9.840292 0.005644 -0.012018\n0.003263 5.728804 -0.000083\n-3.252630 -0.002553 14.162255\nBa H O P Si\n12 4 32 4 4\ndirect\n0.743368 0.237426 0.001637 Ba\n0.260425 0.753629 0.004687 Ba\n0.647803 0.737323 0.193361 Ba\n0.152906 0.257282 0.197111 Ba\n0.346978 0.759417 0.309370 Ba\n0.856345 0.234803 0.310761 Ba\n0.245136 0.261338 0.500250 Ba\n0.758181 0.739185 0.502558 Ba\n0.147258 0.761284 0.680140 Ba\n0.646609 0.237487 0.682829 Ba\n0.350674 0.257808 0.800079 Ba\n0.848798 0.738904 0.802509 Ba\n0.484962 0.547847 0.495693 H\n0.987674 0.465555 0.497102 H\n0.480827 0.049153 0.995669 H\n0.007060 0.015772 0.999694 H\n0.934376 0.808652 0.000724 O\n0.429854 0.200132 0.001312 O\n0.886310 0.536959 0.130461 O\n0.381420 0.473499 0.142378 O\n0.118934 0.749394 0.149020 O\n0.897753 0.981543 0.151526 O\n0.631035 0.249336 0.155554 O\n0.394985 0.001649 0.159021 O\n0.105976 0.507091 0.338498 O\n0.869626 0.750834 0.341321 O\n0.603121 0.480109 0.345861 O\n0.382929 0.249506 0.349236 O\n0.117078 0.976664 0.356693 O\n0.614447 0.035156 0.363282 O\n0.571762 0.298342 0.496816 O\n0.065491 0.691130 0.497439 O\n0.433381 0.699139 0.500078 O\n0.933565 0.307248 0.501353 O\n0.385039 0.980168 0.639651 O\n0.884008 0.022688 0.640488 O\n0.631090 0.750482 0.655562 O\n0.130353 0.249171 0.657133 O\n0.395445 0.507317 0.657737 O\n0.895715 0.493122 0.660359 O\n0.102861 0.011288 0.845456 O\n0.602636 0.980917 0.846849 O\n0.880560 0.244600 0.848274 O\n0.381456 0.747972 0.848970 O\n0.614941 0.536191 0.864048 O\n0.116213 0.454827 0.870563 O\n0.063866 0.180337 0.996779 O\n0.568592 0.797491 0.997463 O\n0.958776 0.764356 0.111330 P\n0.543837 0.262098 0.387046 P\n0.040546 0.228368 0.883478 P\n0.542290 0.761975 0.887254 P\n0.461230 0.236603 0.123669 Si\n0.040344 0.737539 0.381085 Si\n0.461974 0.740086 0.621327 Si\n0.961181 0.261809 0.621456 Si\n",
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"elements": [
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"formula_full": "Ba12 Si4 P4 H4 O32",
"formula_reduced": "Ba3SiPHO8",
"formula_anonymous": "ABCD3E8",
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"spacegroup": 1
},
{
"id": "oqmd-1041130",
"created_at": "2022-09-04T15:31:49.166930Z",
"updated_at": "2022-09-04T15:31:49.166957Z",
"structure_string": "Ba12 Si4 P4 H4 O32\n1.0\n9.841728 0.015415 -0.021139\n0.009027 5.735265 -0.006556\n-3.266271 -0.021325 14.180308\nBa H O P Si\n12 4 32 4 4\ndirect\n0.151497 0.261305 0.198234 Ba\n0.649309 0.741819 0.199570 Ba\n0.353119 0.763014 0.318380 Ba\n0.852766 0.236047 0.318669 Ba\n0.742975 0.738360 0.498209 Ba\n0.254388 0.262257 0.498756 Ba\n0.639160 0.236682 0.688646 Ba\n0.158067 0.764783 0.689376 Ba\n0.842112 0.737033 0.803866 Ba\n0.356358 0.261886 0.807563 Ba\n0.741788 0.242547 0.997143 Ba\n0.255344 0.759407 0.999026 Ba\n0.517494 0.954427 0.005965 H\n0.510982 0.467380 0.501609 H\n0.015576 0.544539 0.504783 H\n0.000493 0.004648 0.999606 H\n0.568612 0.802694 0.001419 O\n0.430542 0.205283 0.002350 O\n0.935965 0.819485 0.002815 O\n0.883840 0.545184 0.129442 O\n0.384272 0.464029 0.136034 O\n0.618404 0.253169 0.150823 O\n0.119395 0.753565 0.151143 O\n0.397489 0.019899 0.152226 O\n0.898521 0.987803 0.154832 O\n0.102086 0.504550 0.340461 O\n0.605633 0.491938 0.341401 O\n0.369613 0.248798 0.342768 O\n0.869103 0.750418 0.344906 O\n0.616599 0.022027 0.360536 O\n0.115497 0.976999 0.360979 O\n0.564891 0.308011 0.498619 O\n0.067844 0.694372 0.499583 O\n0.432875 0.692515 0.499870 O\n0.929436 0.298424 0.506295 O\n0.887564 0.036058 0.639455 O\n0.382060 0.978865 0.640100 O\n0.118937 0.250563 0.654208 O\n0.629454 0.753270 0.655029 O\n0.898704 0.480965 0.657685 O\n0.393648 0.510139 0.658507 O\n0.604773 0.996733 0.844116 O\n0.100048 0.012989 0.844350 O\n0.879227 0.246058 0.846862 O\n0.369415 0.748747 0.847212 O\n0.619603 0.525735 0.862020 O\n0.113354 0.456419 0.868555 O\n0.062742 0.183159 0.995768 O\n0.457395 0.239203 0.112571 P\n0.959222 0.771316 0.114288 P\n0.957946 0.262740 0.616177 P\n0.038976 0.229914 0.883910 P\n0.038360 0.737991 0.378758 Si\n0.538664 0.261588 0.378998 Si\n0.458722 0.739661 0.615743 Si\n0.539138 0.762598 0.879785 Si\n",
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]
}