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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=340",
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"results": [
{
"id": "jvasp-23755",
"created_at": "2022-09-04T14:37:34.223439Z",
"updated_at": "2022-09-04T14:37:34.223465Z",
"structure_string": "Mg4 Si2 B4 Ir10\n1.0\n9.420489 0.000000 0.000000\n-0.000000 9.420489 -0.000000\n-0.000000 -0.000000 2.919934\nMg Si B Ir\n4 2 4 10\ndirect\n0.674908 0.825092 0.000000 Mg\n0.825092 0.325092 0.000000 Mg\n0.174908 0.674908 0.000000 Mg\n0.325092 0.174908 0.000000 Mg\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.873972 0.626028 0.000000 B\n0.626028 0.126028 0.000000 B\n0.373972 0.873972 0.000000 B\n0.126028 0.373972 0.000000 B\n0.927517 0.790732 0.499999 Ir\n0.500000 0.000000 0.499999 Ir\n0.572483 0.290732 0.499999 Ir\n0.709269 0.572483 0.499999 Ir\n0.290732 0.427517 0.499999 Ir\n0.209268 0.927517 0.499999 Ir\n0.000000 0.500000 0.499999 Ir\n0.072483 0.209268 0.499999 Ir\n0.790732 0.072483 0.499999 Ir\n0.427517 0.709269 0.499999 Ir\n",
"nsites": 20,
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"elements": [
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"Si",
"B",
"Ir"
],
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"density": 13.57751083093783,
"density_atomic": 0.0771809405986758,
"volume": 259.1313327469754,
"volume_molar": 7.802626805643415,
"formula_full": "Mg4 Si2 B4 Ir10",
"formula_reduced": "Mg2SiB2Ir5",
"formula_anonymous": "AB2C2D5",
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"spacegroup": 127
},
{
"id": "jvasp-117054",
"created_at": "2022-09-04T14:38:49.151397Z",
"updated_at": "2022-09-04T14:38:49.151418Z",
"structure_string": "Mg2 Sc1 Mo3 S8\n1.0\n6.436946 0.001930 3.553012\n2.097454 6.085862 3.552491\n0.001901 0.001891 7.352397\nMg Sc Mo S\n2 1 3 8\ndirect\n0.877087 0.877086 0.877087 Mg\n0.122914 0.122917 0.122924 Mg\n0.499987 0.499992 0.500009 Sc\n0.500007 0.500005 -0.000006 Mo\n0.000002 0.499997 0.499997 Mo\n0.500002 -0.000001 0.499999 Mo\n0.739978 0.739980 0.739960 S\n0.254492 0.254497 0.723380 S\n0.254501 0.723375 0.254506 S\n0.723375 0.254502 0.254500 S\n0.745494 0.276627 0.745491 S\n0.276627 0.745496 0.745501 S\n0.260040 0.260027 0.260024 S\n0.745498 0.745490 0.276630 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Sc",
"Mo",
"S"
],
"chemical_system": "Mg-Mo-S-Sc",
"density": 3.6789647515551374,
"density_atomic": 0.04862369268908702,
"volume": 287.9254788302437,
"volume_molar": 12.385198299329485,
"formula_full": "Mg2 Sc1 Mo3 S8",
"formula_reduced": "Mg2ScMo3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.930348646428571,
"spacegroup": 166
},
{
"id": "jvasp-119517",
"created_at": "2022-09-04T14:38:34.684971Z",
"updated_at": "2022-09-04T14:38:34.684998Z",
"structure_string": "Mg2 Sc1 Cr3 S8\n1.0\n6.306080 0.002306 3.618247\n2.096415 5.947417 3.618185\n0.003164 0.002276 7.270419\nMg Sc Cr S\n2 1 3 8\ndirect\n0.875798 0.875791 0.875795 Mg\n0.124209 0.124202 0.124205 Mg\n0.499991 0.500004 0.500005 Sc\n0.500013 0.499984 0.999998 Cr\n-0.000001 0.500006 0.499992 Cr\n0.499994 0.000008 0.500011 Cr\n0.737138 0.737143 0.737147 S\n0.252771 0.252785 0.718043 S\n0.252790 0.718042 0.252770 S\n0.718044 0.252788 0.252777 S\n0.747224 0.281954 0.747212 S\n0.281957 0.747223 0.747225 S\n0.262853 0.262850 0.262870 S\n0.747220 0.747227 0.281956 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Sc",
"Cr",
"S"
],
"chemical_system": "Cr-Mg-S-Sc",
"density": 3.083441038618685,
"density_atomic": 0.0513689133652103,
"volume": 272.53837161137085,
"volume_molar": 11.723317402463309,
"formula_full": "Mg2 Sc1 Cr3 S8",
"formula_reduced": "Mg2ScCr3S8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.596979682142858,
"spacegroup": 166
},
{
"id": "jvasp-101629",
"created_at": "2022-09-04T14:36:46.231427Z",
"updated_at": "2022-09-04T14:36:46.231451Z",
"structure_string": "Mg1 Re1 Pb2 O6\n1.0\n4.897970 -0.000000 2.827844\n1.632657 4.617851 2.827844\n-0.000000 -0.000000 5.655689\nMg Re Pb O\n1 1 2 6\ndirect\n0.500000 0.500000 0.499999 Mg\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.749999 Pb\n0.758326 0.241674 0.241673 O\n0.241675 0.758326 0.758325 O\n0.241675 0.758326 0.241673 O\n0.758326 0.241674 0.758325 O\n0.241674 0.241674 0.758326 O\n0.758326 0.758326 0.241673 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mg",
"Re",
"Pb",
"O"
],
"chemical_system": "Mg-O-Pb-Re",
"density": 9.358098815546116,
"density_atomic": 0.07817329959351749,
"volume": 127.92091483917929,
"volume_molar": 7.703577553095105,
"formula_full": "Mg1 Re1 Pb2 O6",
"formula_reduced": "MgRe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.337478969,
"spacegroup": 225
},
{
"id": "jvasp-97666",
"created_at": "2022-09-04T14:35:59.541434Z",
"updated_at": "2022-09-04T14:35:59.541465Z",
"structure_string": "Mg2 P4 H24 O22\n1.0\n7.331107 -0.010252 -2.341945\n3.486888 8.467901 -0.703564\n-0.140597 0.161529 7.416320\nMg P H O\n2 4 24 22\ndirect\n0.781035 0.707396 0.645163 Mg\n0.218965 0.292604 0.354837 Mg\n0.903408 0.317009 0.601533 P\n0.096592 0.682992 0.398467 P\n0.575257 0.072224 0.755889 P\n0.424744 0.927776 0.244111 P\n0.200210 0.557095 0.822795 H\n0.799790 0.442905 0.177205 H\n0.521376 0.389091 0.863110 H\n0.478624 0.610909 0.136890 H\n0.896468 0.059723 0.265112 H\n0.103533 0.940277 0.734888 H\n0.919003 0.399067 0.030109 H\n0.027814 0.953256 0.784398 H\n0.972186 0.046744 0.215602 H\n0.386563 0.483784 0.662257 H\n0.080997 0.600933 0.969891 H\n0.613437 0.516216 0.337743 H\n0.568792 0.774375 0.883804 H\n0.431209 0.225625 0.116196 H\n0.072827 0.193106 0.894776 H\n0.671200 0.208701 0.526689 H\n0.328800 0.791299 0.473311 H\n0.265096 0.120445 0.686828 H\n-0.072827 0.806894 0.105225 H\n0.745966 0.128778 0.037982 H\n0.254034 0.871222 -0.037982 H\n0.574229 0.606448 0.818904 H\n0.425771 0.393552 0.181096 H\n0.734904 0.879555 0.313172 H\n0.935287 0.405065 0.166742 O\n0.500054 0.823856 0.427287 O\n0.064713 0.594935 0.833258 O\n0.353041 0.320944 0.164482 O\n0.646960 0.679056 0.835518 O\n0.369973 0.817156 0.073827 O\n0.630028 0.182844 0.926173 O\n0.605766 0.958407 0.220324 O\n0.394234 0.041593 0.779676 O\n0.499946 0.176144 0.572713 O\n0.952823 0.283519 0.826810 O\n0.753407 0.918983 0.786533 O\n0.212173 0.788072 0.506815 O\n0.787827 0.211928 0.493185 O\n0.047177 0.716481 0.173190 O\n0.903617 0.740614 0.445452 O\n0.096384 0.259386 0.554548 O\n0.226913 0.509387 0.441679 O\n0.773088 0.490613 0.558321 O\n0.441455 0.496472 0.801370 O\n0.246593 0.081017 0.213467 O\n0.558546 0.503529 0.198630 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 1.9919803024497817,
"density_atomic": 0.1136889485229435,
"volume": 457.38834491468543,
"volume_molar": 5.29703268280705,
"formula_full": "Mg2 P4 H24 O22",
"formula_reduced": "MgP2H12O11",
"formula_anonymous": "AB2C11D12",
"energy_above_hull": 3.0198260980769227,
"spacegroup": 2
},
{
"id": "jvasp-29231",
"created_at": "2022-09-04T14:35:53.369767Z",
"updated_at": "2022-09-04T14:35:53.369779Z",
"structure_string": "Mg3 P2 H16 O16\n1.0\n4.609940 -0.002900 -0.730138\n-1.682606 7.781641 -2.239064\n-0.023015 0.093756 8.269776\nMg P H O\n3 2 16 16\ndirect\n0.000000 0.387080 0.612921 Mg\n-0.000000 0.612920 0.387080 Mg\n0.000000 0.000000 0.000000 Mg\n0.385028 0.314240 0.314240 P\n0.614972 0.685761 0.685761 P\n0.489700 0.827853 0.429947 H\n0.489700 0.429947 0.827854 H\n0.636247 0.207887 0.043465 H\n0.363753 0.956536 0.792114 H\n0.363753 0.792113 0.956536 H\n0.718139 0.178465 0.749141 H\n0.959712 0.318315 0.061259 H\n0.040288 0.938741 0.681685 H\n0.040288 0.681685 0.938742 H\n0.959712 0.061259 0.318315 H\n0.510300 0.570053 0.172147 H\n0.281862 0.250860 0.821536 H\n0.281861 0.821535 0.250860 H\n0.510301 0.172147 0.570054 H\n0.718138 0.749141 0.178465 H\n0.636248 0.043465 0.207887 H\n0.190710 0.015094 0.785547 O\n0.190708 0.785546 0.015094 O\n0.621138 0.842814 0.842814 O\n0.378862 0.157187 0.157187 O\n0.285923 0.602255 0.602255 O\n0.226919 0.441560 0.244283 O\n0.773082 0.558440 0.755718 O\n0.226919 0.244283 0.441561 O\n0.773081 0.755718 0.558440 O\n0.809292 0.214454 0.984907 O\n0.715856 0.174555 0.628215 O\n0.284145 0.371786 0.825446 O\n0.715855 0.628214 0.174555 O\n0.809291 0.984906 0.214454 O\n0.714077 0.397746 0.397746 O\n0.284144 0.825445 0.371786 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 2.271063841663339,
"density_atomic": 0.12433944953719286,
"volume": 297.5724931847348,
"volume_molar": 4.843306595304361,
"formula_full": "Mg3 P2 H16 O16",
"formula_reduced": "Mg3P2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.864389301351351,
"spacegroup": 12
},
{
"id": "jvasp-23962",
"created_at": "2022-09-04T14:37:45.691510Z",
"updated_at": "2022-09-04T14:37:45.691530Z",
"structure_string": "Mg8 P4 H4 O20\n1.0\n6.176671 0.000000 0.000000\n0.000000 7.420148 0.000000\n0.000000 0.000000 8.289652\nMg P H O\n8 4 4 20\ndirect\n0.250000 0.577587 0.177804 Mg\n0.750000 0.422413 0.822195 Mg\n0.750000 0.077587 0.322195 Mg\n0.250000 0.922413 0.677804 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.250000 0.333772 0.823719 P\n0.750000 0.666228 0.176281 P\n0.750000 0.833772 0.676281 P\n0.250000 0.166228 0.323719 P\n0.250000 0.767883 0.447228 H\n0.750000 0.232117 0.552772 H\n0.250000 0.732118 0.947228 H\n0.750000 0.267883 0.052772 H\n0.545607 0.624484 0.278338 O\n0.750000 0.627075 0.634368 O\n0.250000 0.372925 0.365632 O\n0.954393 0.624484 0.278338 O\n0.454393 0.375516 0.721662 O\n0.045607 0.124484 0.221662 O\n0.545607 0.875516 0.778338 O\n0.045607 0.375516 0.721662 O\n0.954393 0.875516 0.778338 O\n0.750000 0.186514 0.959400 O\n0.250000 0.059916 0.480037 O\n0.750000 0.940084 0.519963 O\n0.750000 0.559916 0.019963 O\n0.250000 0.440084 0.980037 O\n0.250000 0.686514 0.540600 O\n0.750000 0.313486 0.459400 O\n0.750000 0.872926 0.134368 O\n0.250000 0.813486 0.040600 O\n0.454393 0.124484 0.221662 O\n0.250000 0.127075 0.865632 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 2.8075063060956515,
"density_atomic": 0.0947543517050445,
"volume": 379.9297800280707,
"volume_molar": 6.355529484013551,
"formula_full": "Mg8 P4 H4 O20",
"formula_reduced": "Mg2PHO5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 62
},
{
"id": "jvasp-96793",
"created_at": "2022-09-04T14:36:21.607421Z",
"updated_at": "2022-09-04T14:36:21.607440Z",
"structure_string": "Mg8 P4 Cl4 O16\n1.0\n4.831328 0.000000 0.000000\n0.000000 7.936312 0.000000\n0.000000 0.000000 10.979633\nMg P Cl O\n8 4 4 16\ndirect\n0.508116 0.162846 0.373462 Mg\n0.008115 0.837154 0.626538 Mg\n0.000514 0.401894 0.621411 Mg\n0.008115 0.662846 0.126538 Mg\n0.508116 0.337154 0.873462 Mg\n0.500514 0.901894 0.878588 Mg\n0.000514 0.098106 0.121411 Mg\n0.500514 0.598106 0.378589 Mg\n0.953034 0.120698 0.833380 P\n0.453034 0.879302 0.166620 P\n0.953034 0.379302 0.333380 P\n0.453034 0.620698 0.666620 P\n0.758704 0.878735 0.436386 Cl\n0.258704 0.121265 0.563614 Cl\n0.258704 0.378735 0.063614 Cl\n0.758704 0.621265 0.936386 Cl\n0.846691 0.959193 0.770215 O\n0.295262 0.876166 0.041554 O\n0.269991 0.120221 0.848544 O\n0.295262 0.623833 0.541554 O\n0.346590 0.720855 0.233789 O\n0.795262 0.376166 0.458445 O\n0.846691 0.540806 0.270215 O\n0.769991 0.879778 0.151456 O\n0.795262 0.123833 0.958445 O\n0.846590 0.220856 0.266210 O\n0.769991 0.620221 0.651456 O\n0.346590 0.779144 0.733789 O\n0.346690 0.459193 0.729785 O\n0.846590 0.279144 0.766210 O\n0.269991 0.379778 0.348544 O\n0.346690 0.040806 0.229785 O\n",
"nsites": 32,
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"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-P",
"density": 2.8247004699246823,
"density_atomic": 0.07601107921663945,
"volume": 420.991259824067,
"volume_molar": 7.922714454344577,
"formula_full": "Mg8 P4 Cl4 O16",
"formula_reduced": "Mg2PClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.2731814584375,
"spacegroup": 33
},
{
"id": "jvasp-49638",
"created_at": "2022-09-04T14:37:07.367988Z",
"updated_at": "2022-09-04T14:37:07.368010Z",
"structure_string": "Mg4 Ni2 Sb2 O12\n1.0\n0.000000 5.077379 -0.135115\n7.601372 0.000000 0.000000\n0.000000 -0.182967 -5.305131\nMg Ni Sb O\n4 2 2 12\ndirect\n0.477772 0.750000 0.420642 Mg\n0.522228 0.250000 0.579359 Mg\n0.016458 0.750000 0.951730 Mg\n-0.016458 0.250000 0.048270 Mg\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.317491 0.573441 0.690524 O\n0.634254 0.750000 0.066702 O\n0.682508 0.073441 0.309476 O\n0.141925 0.250000 0.430798 O\n0.188348 0.926177 0.191210 O\n0.811651 0.073823 0.808791 O\n0.188348 0.573823 0.191210 O\n0.317491 0.926559 0.690524 O\n0.858075 0.750000 0.569203 O\n0.682508 0.426559 0.309476 O\n0.811651 0.426177 0.808791 O\n0.365746 0.250000 0.933299 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 5.267642214349746,
"density_atomic": 0.09758968318781615,
"volume": 204.93969594623047,
"volume_molar": 6.170878481499007,
"formula_full": "Mg4 Ni2 Sb2 O12",
"formula_reduced": "Mg2NiSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.6574697600000003,
"spacegroup": 11
},
{
"id": "jvasp-9520",
"created_at": "2022-09-04T14:37:11.090801Z",
"updated_at": "2022-09-04T14:37:11.090811Z",
"structure_string": "Mg2 Ni2 P2 O10\n1.0\n5.260443 -0.144592 0.410557\n-1.417056 5.128393 -0.070905\n-1.082326 -1.968729 5.941767\nMg Ni P O\n2 2 2 10\ndirect\n0.886534 0.725582 0.258560 Mg\n0.114655 0.277053 0.727687 Mg\n0.500593 0.001336 0.493147 Ni\n0.500577 0.001326 -0.006853 Ni\n0.237754 0.354866 0.238955 P\n0.763432 0.647812 0.747326 P\n0.523496 0.371403 0.179812 O\n0.180618 0.154418 0.385872 O\n0.477697 0.631255 0.806490 O\n0.820536 0.848220 0.600380 O\n0.775730 0.362936 0.604069 O\n-0.026854 0.734057 0.955056 O\n0.225464 0.639729 0.382256 O\n0.028068 0.268712 0.031223 O\n0.385335 0.076534 0.757532 O\n0.615849 0.926128 0.228761 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Ni-O-P",
"density": 3.9824576989712215,
"density_atomic": 0.09891436595364943,
"volume": 161.75607906638643,
"volume_molar": 6.088236730771678,
"formula_full": "Mg2 Ni2 P2 O10",
"formula_reduced": "MgNiPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-27695",
"created_at": "2022-09-04T14:36:58.520082Z",
"updated_at": "2022-09-04T14:36:58.520103Z",
"structure_string": "Mg2 Ni2 Ge4 O12\n1.0\n5.113159 -0.217672 0.908607\n1.050007 6.467583 0.611158\n-0.286860 -0.044324 6.574299\nMg Ni Ge O\n2 2 4 12\ndirect\n0.750000 0.266655 0.733346 Mg\n0.250000 0.733345 0.266655 Mg\n0.750001 0.909317 0.090684 Ni\n0.250000 0.090684 0.909317 Ni\n0.795231 0.397163 0.205604 Ge\n0.704770 0.794396 0.602838 Ge\n0.204769 0.602837 0.794397 Ge\n0.295231 0.205604 0.397163 Ge\n0.628072 0.975342 0.794988 O\n0.871929 0.205013 0.024659 O\n0.617313 0.629380 0.136474 O\n0.882688 0.863527 0.370621 O\n0.382687 0.370621 0.863527 O\n0.894402 0.564289 0.708732 O\n0.105598 0.435712 0.291268 O\n0.394402 0.708732 0.564289 O\n0.128071 0.794988 0.975342 O\n0.605598 0.291269 0.435712 O\n0.117313 0.136474 0.629380 O\n0.371929 0.024659 0.205012 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-Ni-O",
"density": 4.87892741070588,
"density_atomic": 0.09060706424072049,
"volume": 220.73334091109015,
"volume_molar": 6.646436246958258,
"formula_full": "Mg2 Ni2 Ge4 O12",
"formula_reduced": "MgNi(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7633794349999996,
"spacegroup": 15
},
{
"id": "jvasp-45577",
"created_at": "2022-09-04T14:37:28.219562Z",
"updated_at": "2022-09-04T14:37:28.219571Z",
"structure_string": "Mg2 Ni2 Ge4 O12\n1.0\n5.113223 -0.217625 0.908672\n1.050079 6.467582 0.611204\n-0.286781 -0.044294 6.574317\nMg Ni Ge O\n2 2 4 12\ndirect\n0.750000 0.266652 0.733348 Mg\n0.250000 0.733348 0.266651 Mg\n0.750000 0.909318 0.090680 Ni\n0.250000 0.090681 0.909319 Ni\n0.795232 0.397161 0.205596 Ge\n0.704768 0.794403 0.602838 Ge\n0.204768 0.602839 0.794403 Ge\n0.295232 0.205597 0.397162 Ge\n0.628077 0.975343 0.794987 O\n0.871923 0.205012 0.024656 O\n0.617317 0.629376 0.136469 O\n0.882683 0.863530 0.370623 O\n0.382683 0.370624 0.863530 O\n0.894410 0.564291 0.708733 O\n0.105590 0.435709 0.291267 O\n0.394410 0.708733 0.564291 O\n0.128077 0.794987 0.975343 O\n0.605590 0.291267 0.435709 O\n0.117317 0.136470 0.629377 O\n0.371923 0.024656 0.205013 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mg",
"Ni",
"Ge",
"O"
],
"chemical_system": "Ge-Mg-Ni-O",
"density": 4.878868906666498,
"density_atomic": 0.09060597775617,
"volume": 220.73598779345502,
"volume_molar": 6.64651594644914,
"formula_full": "Mg2 Ni2 Ge4 O12",
"formula_reduced": "MgNi(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7633754349999995,
"spacegroup": 15
}
]
}