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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=3465",
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"results": [
{
"id": "jvasp-57109",
"created_at": "2022-09-04T14:38:31.468371Z",
"updated_at": "2022-09-04T14:38:31.468407Z",
"structure_string": "K4 Ge4 Pb2 S12\n1.0\n8.546502 -0.006100 -0.046185\n-3.515192 7.790132 -0.046185\n-0.000408 -0.000631 8.941315\nK Ge Pb S\n4 4 2 12\ndirect\n0.457949 0.735721 0.517154 K\n0.542051 0.264279 0.482847 K\n0.264278 0.542051 0.982847 K\n0.735721 0.457949 0.017154 K\n0.342605 0.025495 0.061866 Ge\n0.657395 0.974505 0.938134 Ge\n0.974505 0.657395 0.438134 Ge\n0.025494 0.342605 0.561866 Ge\n0.981005 0.018995 0.250000 Pb\n0.018995 0.981005 0.750000 Pb\n0.918156 0.523187 0.667629 S\n0.523187 0.918156 0.167629 S\n0.083821 0.816986 0.039030 S\n0.916178 0.183014 0.960971 S\n0.816985 0.083821 0.539029 S\n0.258536 0.347505 0.668232 S\n0.081844 0.476813 0.332372 S\n0.652495 0.741464 0.831768 S\n0.476813 0.081844 0.832371 S\n0.183014 0.916179 0.460971 S\n0.741464 0.652495 0.331768 S\n0.347505 0.258536 0.168233 S\n",
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"elements": [
"K",
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"Pb",
"S"
],
"chemical_system": "Ge-K-Pb-S",
"density": 3.4771162595903227,
"density_atomic": 0.036968201982759664,
"volume": 595.1060322127603,
"volume_molar": 16.29005587777426,
"formula_full": "K4 Ge4 Pb2 S12",
"formula_reduced": "K2Ge2PbS6",
"formula_anonymous": "AB2C2D6",
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{
"id": "jvasp-119537",
"created_at": "2022-09-04T14:38:35.138539Z",
"updated_at": "2022-09-04T14:38:35.138565Z",
"structure_string": "Li4 Cr2 Si4 O12\n1.0\n5.769258 -0.021853 -0.042213\n2.688597 5.103124 0.036447\n-0.005238 0.010034 8.909812\nLi Cr Si O\n4 2 4 12\ndirect\n0.606528 0.690733 0.885437 Li\n0.309168 0.393113 0.385280 Li\n0.690792 0.606853 0.614709 Li\n0.393506 0.309306 0.114552 Li\n0.239022 0.239098 0.749978 Cr\n0.760974 0.760906 0.250024 Cr\n0.126880 0.793837 0.639632 Si\n0.206054 0.873168 0.139710 Si\n0.793955 0.126838 0.860295 Si\n0.873116 0.206153 0.360374 Si\n0.763585 0.507525 0.408721 O\n0.492672 0.236373 0.908602 O\n0.000002 0.000037 0.000006 O\n0.131546 0.131604 0.250109 O\n-0.000037 -0.000002 0.500006 O\n0.351075 0.847036 0.723761 O\n0.507336 0.763615 0.091394 O\n0.236427 0.492467 0.591276 O\n0.152944 0.648884 0.223696 O\n0.847051 0.351115 0.776291 O\n0.868487 0.868363 0.749925 O\n0.648927 0.152967 0.276225 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.7551357068079523,
"density_atomic": 0.08370269759998115,
"volume": 262.83501763753134,
"volume_molar": 7.194679422137711,
"formula_full": "Li4 Cr2 Si4 O12",
"formula_reduced": "Li2Cr(SiO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.738080509090908,
"spacegroup": 15
},
{
"id": "jvasp-119651",
"created_at": "2022-09-04T14:38:36.579903Z",
"updated_at": "2022-09-04T14:38:36.579929Z",
"structure_string": "Na4 Nd4 Pt2 O12\n1.0\n6.601287 0.014754 0.127778\n0.100635 6.600536 0.127778\n0.014834 0.014642 6.651399\nNa Nd Pt O\n4 4 2 12\ndirect\n0.242507 0.757493 0.500000 Na\n0.754361 0.245639 0.000000 Na\n0.895988 0.754420 0.144584 Na\n0.245579 0.104011 0.855417 Na\n0.611463 0.388536 0.500000 Nd\n0.756659 0.885847 0.647163 Nd\n0.376792 0.623208 0.000000 Nd\n0.114153 0.243340 0.352838 Nd\n0.506961 0.001431 0.243668 Pt\n0.998569 0.493039 0.756333 Pt\n0.073876 0.783638 0.809698 O\n0.449945 0.308095 0.187036 O\n0.574350 0.942342 0.945698 O\n0.797098 0.085366 0.316811 O\n0.057658 0.425649 0.054303 O\n0.216362 0.926124 0.190303 O\n0.914633 0.202901 0.683190 O\n0.554454 0.704090 0.323975 O\n0.431384 0.060611 0.535315 O\n0.295909 0.445546 0.676026 O\n0.691904 0.550054 0.812965 O\n0.939389 0.568616 0.464686 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Nd",
"Pt",
"O"
],
"chemical_system": "Na-Nd-O-Pt",
"density": 7.169152645535517,
"density_atomic": 0.07591954471369576,
"volume": 289.78045222696437,
"volume_molar": 7.932266694578342,
"formula_full": "Na4 Nd4 Pt2 O12",
"formula_reduced": "Na2Nd2PtO6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.8695112181818176,
"spacegroup": 5
},
{
"id": "jvasp-51607",
"created_at": "2022-09-04T14:38:30.557105Z",
"updated_at": "2022-09-04T14:38:30.557116Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n7.126819 0.021202 2.135749\n3.155020 6.390449 2.135749\n0.028468 0.017753 12.781211\nIn Si Ag Se\n4 2 4 12\ndirect\n0.513857 0.319443 0.938877 In\n0.319444 0.513856 0.438877 In\n0.294993 0.173441 0.740553 In\n0.173441 0.294992 0.240553 In\n0.404360 0.934350 0.497898 Si\n0.934351 0.404359 0.997897 Si\n0.801070 0.396638 0.584862 Ag\n0.802800 0.992043 0.247985 Ag\n0.396639 0.801070 0.084862 Ag\n0.992044 0.802799 0.747985 Ag\n0.646191 0.605047 0.912358 Se\n0.046992 0.529052 0.627326 Se\n0.167755 0.649598 0.252555 Se\n0.604220 0.109385 0.453643 Se\n0.824788 0.363986 0.186113 Se\n0.109386 0.604220 0.953643 Se\n0.085270 0.100322 0.444931 Se\n0.649599 0.167755 0.752555 Se\n0.100323 0.085269 0.944931 Se\n0.605048 0.646190 0.412358 Se\n0.529053 0.046992 0.127326 Se\n0.363987 0.824787 0.686113 Se\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Ag",
"Se"
],
"chemical_system": "Ag-In-Se-Si",
"density": 5.417142764406202,
"density_atomic": 0.03788471045690516,
"volume": 580.7092025957429,
"volume_molar": 15.895966175722368,
"formula_full": "In4 Si2 Ag4 Se12",
"formula_reduced": "In2Si(AgSe3)2",
"formula_anonymous": "AB2C2D6",
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"spacegroup": 9
},
{
"id": "jvasp-46831",
"created_at": "2022-09-04T14:38:31.947889Z",
"updated_at": "2022-09-04T14:38:31.947919Z",
"structure_string": "Li4 Mn2 C4 O12\n1.0\n0.000000 5.142897 0.046325\n7.850909 0.000000 0.000000\n0.000000 -2.855351 -6.274157\nLi Mn C O\n4 2 4 12\ndirect\n0.387575 0.415880 0.262888 Li\n0.612425 0.915880 0.237111 Li\n0.387576 0.084120 0.762888 Li\n0.612425 0.584120 0.737112 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.821987 0.264035 0.146606 C\n0.178014 0.764035 0.353393 C\n0.821987 0.235965 0.646607 C\n0.178014 0.735965 0.853393 C\n0.934360 0.733763 0.866896 O\n0.065641 0.233763 0.633104 O\n0.723707 0.103413 0.703563 O\n0.324349 0.622364 0.402286 O\n0.675651 0.377636 0.597714 O\n0.675651 0.122364 0.097714 O\n0.934360 0.766237 0.366896 O\n0.065640 0.266237 0.133103 O\n0.723707 0.396587 0.203563 O\n0.276294 0.603413 0.796437 O\n0.276293 0.896587 0.296437 O\n0.324350 0.877636 0.902286 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"C",
"O"
],
"chemical_system": "C-Li-Mn-O",
"density": 2.4858158195160858,
"density_atomic": 0.08720140844176283,
"volume": 252.28950303816052,
"volume_molar": 6.9060131798465925,
"formula_full": "Li4 Mn2 C4 O12",
"formula_reduced": "Li2Mn(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.382180749216301,
"spacegroup": 14
},
{
"id": "jvasp-91430",
"created_at": "2022-09-04T14:36:08.780661Z",
"updated_at": "2022-09-04T14:36:08.780690Z",
"structure_string": "Na12 Be6 Ge12 O36\n1.0\n0.000000 -7.177156 -0.000000\n10.839808 -3.588578 -0.000000\n0.000000 -3.588578 10.846861\nNa Be Ge O\n12 6 12 36\ndirect\n0.742296 0.500000 0.515409 Na\n0.506912 0.685241 0.328920 Na\n0.728929 0.185241 0.828920 Na\n0.442152 0.814759 0.828920 Na\n0.791184 0.344043 0.051751 Na\n0.157067 0.655957 0.051751 Na\n0.164170 0.314759 0.328920 Na\n0.063024 0.844043 0.551751 Na\n0.857870 -0.000000 0.284262 Na\n0.107869 0.500000 0.784262 Na\n0.492296 -0.000000 0.015409 Na\n0.385227 0.155957 0.551751 Na\n0.633726 -0.000000 0.732548 Be\n0.883726 0.500000 0.232548 Be\n0.994622 0.337637 0.644210 Be\n0.582259 0.162363 0.144210 Be\n0.273532 0.837637 0.144210 Be\n0.361169 0.662363 0.644210 Be\n0.668158 0.297196 0.343224 Ge\n0.296269 0.369990 0.027264 Ge\n0.676467 0.630010 0.027264 Ge\n0.916260 0.130010 0.527264 Ge\n0.556478 0.869990 0.527264 Ge\n0.988619 0.702804 0.343224 Ge\n0.215354 0.202804 0.843224 Ge\n0.941423 0.797196 0.843224 Ge\n0.346284 -0.000000 0.307433 Ge\n0.596285 0.500000 0.807433 Ge\n0.000153 -0.000000 0.999697 Ge\n0.250153 0.500000 0.499697 Ge\n0.131930 0.459302 0.156860 O\n0.408935 0.864365 0.224908 O\n0.366157 0.135635 0.224908 O\n0.523301 0.635636 0.724908 O\n0.751792 0.364365 0.724908 O\n0.433446 0.733184 0.035420 O\n0.531135 0.266816 0.035420 O\n0.399005 0.529046 0.581646 O\n0.047951 0.233184 0.535420 O\n0.711211 0.540698 0.156860 O\n0.019350 0.470954 0.581646 O\n0.178052 0.970954 0.081646 O\n0.740303 0.029046 0.081646 O\n0.844284 0.610700 0.329208 O\n0.826509 0.389300 0.329208 O\n0.416631 0.766816 0.535420 O\n0.841232 0.040698 0.656860 O\n0.507436 0.983178 0.406988 O\n0.139094 0.308611 0.970164 O\n0.740614 0.516822 0.906988 O\n0.352399 0.483178 0.906988 O\n0.704984 0.889300 0.829208 O\n0.085576 0.016822 0.406988 O\n0.110937 0.709027 0.714943 O\n0.174120 0.290973 0.714943 O\n0.069963 0.790973 0.214943 O\n0.715095 0.209027 0.214943 O\n0.088992 0.869164 0.897623 O\n0.013386 0.130836 0.897623 O\n0.208155 0.630836 0.397623 O\n0.394222 0.369164 0.397623 O\n0.832131 0.808611 0.470164 O\n0.697706 0.191390 0.470164 O\n0.890742 0.691390 0.970164 O\n0.501910 0.959302 0.656860 O\n0.465809 0.110700 0.829208 O\n",
"nsites": 66,
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],
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"density": 3.4978986324439867,
"density_atomic": 0.07821064813142116,
"volume": 843.874863293512,
"volume_molar": 7.69989880390801,
"formula_full": "Na12 Be6 Ge12 O36",
"formula_reduced": "Na2Be(GeO3)2",
"formula_anonymous": "AB2C2D6",
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},
{
"id": "jvasp-43972",
"created_at": "2022-09-04T14:36:18.165719Z",
"updated_at": "2022-09-04T14:36:18.165745Z",
"structure_string": "Li4 Mn2 B4 O12\n1.0\n0.000000 5.336632 0.052350\n7.698597 0.000000 0.000000\n0.000000 -2.720435 -5.176057\nLi Mn B O\n4 2 4 12\ndirect\n0.610801 0.435078 0.808287 Li\n0.389198 0.935079 0.691714 Li\n0.610801 0.064922 0.308287 Li\n0.389198 0.564922 0.191714 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.125991 0.258988 0.873566 B\n0.874007 0.758988 0.626435 B\n0.125992 0.241012 0.373566 B\n0.874008 0.741012 0.126435 B\n0.880960 0.263942 0.399055 O\n0.119039 0.763942 0.100945 O\n0.228530 0.082205 0.348049 O\n0.275383 0.395627 0.415438 O\n0.724616 0.604374 0.584563 O\n0.275383 0.104374 0.915438 O\n0.880960 0.236058 0.899056 O\n0.119039 0.736059 0.600945 O\n0.228530 0.417795 0.848050 O\n0.771469 0.582206 0.151951 O\n0.771469 0.917795 0.651951 O\n0.724616 0.895627 0.084563 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Li-Mn-O",
"density": 2.9267226084725473,
"density_atomic": 0.10398954503061647,
"volume": 211.559729331663,
"volume_molar": 5.791102132648978,
"formula_full": "Li4 Mn2 B4 O12",
"formula_reduced": "Li2Mn(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.987366673458725,
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},
{
"id": "jvasp-91491",
"created_at": "2022-09-04T14:36:11.605945Z",
"updated_at": "2022-09-04T14:36:11.605971Z",
"structure_string": "In4 Ag4 Ge2 S12\n1.0\n6.857994 0.030294 2.075656\n3.017837 6.158381 2.075656\n0.024866 0.015583 12.339917\nIn Ag Ge S\n4 4 2 12\ndirect\n0.321279 0.514333 0.439833 In\n0.167850 0.301991 0.243755 In\n0.301992 0.167850 0.743755 In\n0.514335 0.321277 0.939834 In\n0.804865 0.988408 0.243741 Ag\n0.808712 0.385538 0.591185 Ag\n0.385539 0.808712 0.091185 Ag\n0.988410 0.804863 0.743741 Ag\n0.932524 0.407308 0.999121 Ge\n0.407310 0.932523 0.499121 Ge\n0.060178 0.517199 0.628654 S\n0.647468 0.165638 0.758625 S\n0.360731 0.829325 0.689641 S\n0.116401 0.602749 0.949969 S\n0.633417 0.608365 0.919758 S\n0.517199 0.060177 0.128654 S\n0.829325 0.360729 0.189641 S\n0.165639 0.647468 0.258624 S\n0.602749 0.116399 0.449969 S\n0.086815 0.097909 0.442921 S\n0.608366 0.633416 0.419758 S\n0.097910 0.086814 0.942921 S\n",
"nsites": 22,
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"elements": [
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"S"
],
"chemical_system": "Ag-Ge-In-S",
"density": 4.540636790129262,
"density_atomic": 0.042340495034373316,
"volume": 519.5971370230727,
"volume_molar": 14.22312317111796,
"formula_full": "In4 Ag4 Ge2 S12",
"formula_reduced": "In2Ag2GeS6",
"formula_anonymous": "AB2C2D6",
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},
{
"id": "jvasp-119597",
"created_at": "2022-09-04T14:38:51.458982Z",
"updated_at": "2022-09-04T14:38:51.459011Z",
"structure_string": "Si2 Hg4 O4 F12\n1.0\n7.374745 0.000000 0.000000\n-0.000000 4.370241 2.328751\n-0.000000 0.549107 9.199310\nSi Hg O F\n2 4 4 12\ndirect\n0.000000 0.000000 0.500000 Si\n0.500000 -0.000000 -0.000000 Si\n0.498565 0.812052 0.687110 Hg\n-0.001434 0.187949 0.812890 Hg\n0.501434 0.187948 0.312890 Hg\n0.001434 0.812052 0.187110 Hg\n0.056341 0.603850 -0.000644 O\n0.556341 0.396150 0.500644 O\n0.943658 0.396150 0.000644 O\n0.443659 0.603850 0.499356 O\n0.355943 0.030803 0.844237 F\n0.855943 0.969198 0.655763 F\n0.360690 0.715676 0.155121 F\n0.860690 0.284324 0.344879 F\n0.639309 0.284324 0.844879 F\n0.622335 0.716284 0.993234 F\n0.877664 0.716284 0.493234 F\n0.377664 0.283716 0.006766 F\n0.122335 0.283717 0.506766 F\n0.144056 0.030803 0.344237 F\n0.139310 0.715677 0.655120 F\n0.644056 0.969197 0.155763 F\n",
"nsites": 22,
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"elements": [
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],
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"density": 6.6553298804743966,
"density_atomic": 0.07663955674356418,
"volume": 287.0580276659475,
"volume_molar": 7.857744767692319,
"formula_full": "Si2 Hg4 O4 F12",
"formula_reduced": "SiHg2(OF3)2",
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{
"id": "jvasp-122027",
"created_at": "2022-09-04T14:38:51.745074Z",
"updated_at": "2022-09-04T14:38:51.745099Z",
"structure_string": "Li4 Fe2 B4 O12\n1.0\n4.014286 0.000000 2.317649\n1.338095 9.826797 2.317648\n0.000000 0.000000 4.635298\nLi Fe B O\n4 2 4 12\ndirect\n0.904242 0.287276 0.904242 Li\n0.404241 0.787276 0.404242 Li\n0.595759 0.212724 0.595759 Li\n0.095758 0.712724 0.095759 Li\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Fe\n0.202504 0.392486 0.202505 B\n0.702504 0.892487 0.702506 B\n0.297496 0.107514 0.297496 B\n0.797496 0.607514 0.797496 B\n0.740739 0.884969 0.984227 O\n0.240739 0.384969 0.484226 O\n0.984226 0.884969 0.390067 O\n0.484226 0.384969 0.890067 O\n0.515774 0.615031 0.109934 O\n0.890067 0.384969 0.240739 O\n0.759261 0.615031 0.515775 O\n0.259261 0.115031 0.015774 O\n0.390066 0.884969 0.740740 O\n0.609934 0.115031 0.259261 O\n0.015774 0.115031 0.609934 O\n0.109933 0.615031 0.759262 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "B-Fe-Li-O",
"density": 3.4027040027409354,
"density_atomic": 0.12031637138580967,
"volume": 182.8512591146405,
"volume_molar": 5.005254638779991,
"formula_full": "Li4 Fe2 B4 O12",
"formula_reduced": "Li2Fe(BO3)2",
"formula_anonymous": "AB2C2D6",
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},
{
"id": "jvasp-119302",
"created_at": "2022-09-04T14:38:49.392289Z",
"updated_at": "2022-09-04T14:38:49.392322Z",
"structure_string": "Ni4 Hg4 O2 F12\n1.0\n7.379820 -0.000000 0.000000\n-3.689909 5.218321 -3.689910\n-0.000000 -0.000000 7.379820\nNi Hg O F\n4 4 2 12\ndirect\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 -0.000000 Ni\n0.500000 0.000000 0.500000 Hg\n-0.000000 0.500000 0.500000 Hg\n-0.000000 0.500000 -0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.125000 0.750000 0.375000 O\n0.875000 0.250000 0.625000 O\n0.177731 0.855464 0.927731 F\n0.177731 0.250000 0.927731 F\n0.572268 0.250000 0.322268 F\n0.572268 0.644536 0.322268 F\n0.822269 0.144536 0.072268 F\n0.572268 0.250000 0.927731 F\n0.822268 0.750000 0.677731 F\n0.822268 0.750000 0.072268 F\n0.427731 0.750000 0.677731 F\n0.427731 0.750000 0.072268 F\n0.427731 0.355464 0.677731 F\n0.177731 0.250000 0.322268 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ni",
"Hg",
"O",
"F"
],
"chemical_system": "F-Hg-Ni-O",
"density": 7.578873533293339,
"density_atomic": 0.07741058540267837,
"volume": 284.1988584062408,
"volume_molar": 7.779479677971324,
"formula_full": "Ni4 Hg4 O2 F12",
"formula_reduced": "Ni2Hg2OF6",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-119169",
"created_at": "2022-09-04T14:38:52.111270Z",
"updated_at": "2022-09-04T14:38:52.111295Z",
"structure_string": "Mg2 Ag4 P4 S12\n1.0\n6.336286 -0.016425 0.470331\n-3.200546 5.468574 0.470331\n0.032399 0.056333 13.466802\nMg Ag P S\n2 4 4 12\ndirect\n0.418417 0.581582 0.250000 Mg\n0.581582 0.418416 0.750000 Mg\n0.042286 0.875694 0.364725 Ag\n0.957713 0.124304 0.635275 Ag\n0.124304 0.957713 0.135275 Ag\n0.875695 0.042285 0.864725 Ag\n0.219632 0.719988 0.835294 P\n0.780367 0.280010 0.164706 P\n0.280010 0.780366 0.664706 P\n0.719989 0.219632 0.335294 P\n0.870743 0.428885 0.878289 S\n0.129256 0.571113 0.121710 S\n0.262134 0.038909 0.882172 S\n0.737865 0.961089 0.117828 S\n0.961090 0.737864 0.617827 S\n0.480458 0.646256 0.880877 S\n0.646257 0.480457 0.380877 S\n0.353742 0.519541 0.619123 S\n0.519541 0.353742 0.119123 S\n0.428885 0.870743 0.378289 S\n0.038909 0.262134 0.382172 S\n0.571114 0.129255 0.621710 S\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"P",
"S"
],
"chemical_system": "Ag-Mg-P-S",
"density": 3.5264572848650233,
"density_atomic": 0.04725222545493452,
"volume": 465.58653668030684,
"volume_molar": 12.744671181135049,
"formula_full": "Mg2 Ag4 P4 S12",
"formula_reduced": "MgAg2(PS3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 1.7045922336363637,
"spacegroup": 15
}
]
}