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{
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{
"id": "jvasp-9500",
"created_at": "2022-09-04T14:37:07.673498Z",
"updated_at": "2022-09-04T14:37:07.673527Z",
"structure_string": "Mg2 Co2 Si2 O10\n1.0\n4.997891 -0.281086 0.146753\n-1.507835 5.174268 -0.047670\n-1.410011 -2.242407 6.058182\nMg Co Si O\n2 2 2 10\ndirect\n0.370271 0.215189 0.772055 Mg\n0.638228 0.774648 0.257045 Mg\n0.004248 0.494919 0.514554 Co\n0.004251 0.494923 0.014554 Co\n0.703536 0.819021 0.760867 Si\n0.304959 0.170819 0.268244 Si\n0.702634 0.632462 0.923986 O\n0.994928 0.851807 0.669019 O\n0.305866 0.357384 0.105122 O\n0.013570 0.138033 0.360088 O\n0.592786 0.289360 0.487845 O\n0.304416 0.865225 0.132074 O\n0.415708 0.700489 0.541266 O\n0.704086 0.124619 0.897036 O\n0.899975 0.555234 0.266335 O\n0.108524 0.434607 0.762773 O\n",
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],
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"density_atomic": 0.1031504343724747,
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"formula_full": "Mg2 Co2 Si2 O10",
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"spacegroup": 2
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{
"id": "jvasp-9981",
"created_at": "2022-09-04T14:37:14.190323Z",
"updated_at": "2022-09-04T14:37:14.190342Z",
"structure_string": "Na2 Ge2 Sb2 O10\n1.0\n5.459699 -0.019285 -1.412125\n-1.973141 5.090717 -1.412125\n0.007782 0.011319 7.304916\nNa Ge Sb O\n2 2 2 10\ndirect\n0.334646 0.665355 0.750000 Na\n0.665355 0.334647 0.250000 Na\n0.313456 0.686545 0.250000 Ge\n0.686544 0.313457 0.750000 Ge\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.081531 0.918470 0.750000 O\n0.918470 0.081532 0.250000 O\n0.087325 0.684305 0.382427 O\n0.315696 0.912676 0.117572 O\n0.912675 0.315696 0.617573 O\n0.684305 0.087326 0.882427 O\n0.373400 0.246215 0.573783 O\n0.753786 0.626601 0.926217 O\n0.626601 0.753787 0.426217 O\n0.246215 0.373400 0.073782 O\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.0788456058311302,
"volume": 202.92823970772005,
"volume_molar": 7.637890148118196,
"formula_full": "Na2 Ge2 Sb2 O10",
"formula_reduced": "NaGeSbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 15
},
{
"id": "jvasp-96962",
"created_at": "2022-09-04T14:36:41.606163Z",
"updated_at": "2022-09-04T14:36:41.606193Z",
"structure_string": "Na2 Np2 C2 O10\n1.0\n4.382254 0.000001 0.000027\n0.000002 4.893038 -0.000000\n0.000052 0.000000 10.391503\nNa Np C O\n2 2 2 10\ndirect\n0.785137 0.500000 0.245259 Na\n0.214868 0.000000 0.745260 Na\n0.273846 0.500001 0.502761 Np\n0.726149 -0.000001 0.002763 Np\n0.342899 0.499999 0.999023 C\n0.657101 -0.000000 0.499023 C\n0.214665 0.265496 0.989187 O\n0.785332 0.234504 0.489188 O\n0.744162 -0.000000 0.181386 O\n0.255823 0.500000 0.681382 O\n0.284239 0.500000 0.322836 O\n0.362025 -0.000000 0.520360 O\n0.785331 0.765497 0.489188 O\n0.637977 0.500000 0.020362 O\n0.715765 -0.000000 0.822835 O\n0.214665 0.734504 0.989187 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "C-Na-Np-O",
"density": 5.246433014314892,
"density_atomic": 0.07180678469231033,
"volume": 222.82017038584118,
"volume_molar": 8.386590188941993,
"formula_full": "Na2 Np2 C2 O10",
"formula_reduced": "NaNpCO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 3.2681470625000006,
"spacegroup": 31
},
{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
"nsites": 16,
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"elements": [
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"N",
"Cl"
],
"chemical_system": "Al-Cl-N-P",
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"density_atomic": 0.0387552986638692,
"volume": 412.84677325726517,
"volume_molar": 15.538883630419091,
"formula_full": "Al2 P2 N2 Cl10",
"formula_reduced": "AlPNCl5",
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},
{
"id": "jvasp-57388",
"created_at": "2022-09-04T14:36:56.760853Z",
"updated_at": "2022-09-04T14:36:56.760874Z",
"structure_string": "Mn2 Bi2 As2 O10\n1.0\n5.384360 -0.055041 0.033692\n-2.311436 6.531659 -0.009990\n-0.737135 -2.683252 6.377986\nMn Bi As O\n2 2 2 10\ndirect\n0.675023 0.782457 0.636813 Mn\n0.324978 0.217544 0.363187 Mn\n0.924041 0.484437 0.245030 Bi\n0.075959 0.515564 0.754971 Bi\n0.352113 0.119872 0.822003 As\n0.647888 0.880129 0.177998 As\n0.729785 0.448414 0.496273 O\n0.568344 0.702438 0.916819 O\n0.431657 0.297563 0.083182 O\n0.224024 0.221266 0.656233 O\n0.270215 0.551587 0.503727 O\n0.775976 0.778734 0.343767 O\n0.356331 0.905487 0.240318 O\n0.090284 0.870679 0.784514 O\n0.643669 0.094513 0.759682 O\n0.909717 0.129322 0.215486 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "As-Bi-Mn-O",
"density": 6.2175192629611935,
"density_atomic": 0.07151760168206359,
"volume": 223.72114869188567,
"volume_molar": 8.420501552571409,
"formula_full": "Mn2 Bi2 As2 O10",
"formula_reduced": "MnBiAsO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.6619638489224133,
"spacegroup": 2
},
{
"id": "jvasp-48109",
"created_at": "2022-09-04T14:36:15.710223Z",
"updated_at": "2022-09-04T14:36:15.710249Z",
"structure_string": "Li2 V2 Ge2 O10\n1.0\n6.497913 0.073717 0.000000\n0.073717 6.497913 -0.000000\n0.000000 -0.000000 4.550822\nLi V Ge O\n2 2 2 10\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.250000 0.618033 V\n0.750000 0.750000 0.381967 V\n0.250000 0.750000 0.500000 Ge\n0.750000 0.250000 0.500000 Ge\n0.030375 0.742444 0.268885 O\n0.250000 0.250000 0.260477 O\n0.242445 0.530375 0.731115 O\n0.257556 0.969625 0.731115 O\n0.469625 0.757555 0.268885 O\n0.530375 0.242445 0.731115 O\n0.742444 0.030375 0.268885 O\n0.757555 0.469625 0.268885 O\n0.750000 0.750000 0.739523 O\n0.969625 0.257556 0.731115 O\n",
"nsites": 16,
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"elements": [
"Li",
"V",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-V",
"density": 3.639063952422311,
"density_atomic": 0.08327952655674155,
"volume": 192.12405091062308,
"volume_molar": 7.231237987282365,
"formula_full": "Li2 V2 Ge2 O10",
"formula_reduced": "LiVGeO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.33892970625,
"spacegroup": 67
},
{
"id": "jvasp-86623",
"created_at": "2022-09-04T14:36:11.104277Z",
"updated_at": "2022-09-04T14:36:11.104298Z",
"structure_string": "Mn2 V2 Bi2 O10\n1.0\n5.071001 0.015898 -1.672009\n-1.520523 6.324554 -2.366871\n-0.047162 -0.004790 6.978407\nMn V Bi O\n2 2 2 10\ndirect\n0.324567 0.361722 0.224961 Mn\n0.675434 0.638278 0.775039 Mn\n0.654958 0.182086 0.885163 V\n0.345043 0.817913 0.114838 V\n0.089288 0.758457 0.524713 Bi\n0.910712 0.241542 0.475287 Bi\n0.228600 0.649601 0.224797 O\n0.429321 0.086137 0.293957 O\n0.632548 0.757811 0.073480 O\n0.570679 0.913862 0.706043 O\n0.727929 0.500436 0.444630 O\n0.771400 0.350399 0.775203 O\n0.915725 0.217086 0.132916 O\n0.084276 0.782914 0.867084 O\n0.367453 0.242188 0.926520 O\n0.272071 0.499564 0.555370 O\n",
"nsites": 16,
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"elements": [
"Mn",
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"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-V",
"density": 5.869644903035299,
"density_atomic": 0.07161647432491902,
"volume": 223.4122825903032,
"volume_molar": 8.408876332948145,
"formula_full": "Mn2 V2 Bi2 O10",
"formula_reduced": "MnVBiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-60941",
"created_at": "2022-09-04T14:36:09.478951Z",
"updated_at": "2022-09-04T14:36:09.478971Z",
"structure_string": "Te4 As4 H4 O20\n1.0\n0.000000 7.430024 0.057140\n6.047882 0.000000 0.000000\n0.000000 -2.034874 -9.149161\nTe As H O\n4 4 4 20\ndirect\n0.380819 0.126593 0.591637 Te\n0.619181 0.626593 0.908363 Te\n0.619181 0.873407 0.408363 Te\n0.380819 0.373407 0.091637 Te\n0.802974 0.366034 0.586006 As\n0.197027 0.866034 0.913994 As\n0.197026 0.633966 0.413994 As\n0.802973 0.133966 0.086006 As\n0.932811 0.163057 0.332694 H\n0.067189 0.663057 0.167306 H\n0.932812 0.336943 0.832694 H\n0.067189 0.836943 0.667305 H\n0.401935 0.643707 0.352358 O\n0.018714 0.865582 0.757774 O\n0.981286 0.365582 0.742226 O\n0.824677 0.357184 0.977198 O\n0.175323 0.857184 0.522802 O\n0.175323 0.642816 0.022802 O\n0.824677 0.142816 0.477198 O\n0.598065 0.143707 0.147642 O\n0.401935 0.856292 0.852358 O\n0.419763 0.381497 0.893331 O\n0.812926 0.896095 0.990219 O\n0.187074 0.396096 0.509781 O\n0.187074 0.103904 0.009781 O\n0.812926 0.603904 0.490219 O\n0.018714 0.634418 0.257774 O\n0.580237 0.881497 0.606669 O\n0.580237 0.618503 0.106669 O\n0.419763 0.118503 0.393331 O\n0.598065 0.356293 0.647642 O\n0.981286 0.134418 0.242226 O\n",
"nsites": 32,
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"density_atomic": 0.07796840511337605,
"volume": 410.4226571451333,
"volume_molar": 7.723821913816289,
"formula_full": "Te4 As4 H4 O20",
"formula_reduced": "TeAsHO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 14
},
{
"id": "jvasp-95585",
"created_at": "2022-09-04T14:36:09.882986Z",
"updated_at": "2022-09-04T14:36:09.883012Z",
"structure_string": "Li4 Ti4 P4 O20\n1.0\n6.429033 -0.000000 0.000000\n-0.000000 7.257740 0.000000\n0.000000 0.000000 7.414474\nLi Ti P O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.721344 0.164216 Ti\n0.750000 0.278656 0.835783 Ti\n0.250000 0.778656 0.664216 Ti\n0.750000 0.221344 0.335784 Ti\n0.250000 0.130533 0.374007 P\n0.750000 0.869467 0.625992 P\n0.750000 0.630533 0.125992 P\n0.250000 0.369467 0.874007 P\n0.056285 0.255771 0.372353 O\n0.943714 0.744229 0.627646 O\n0.556285 0.755771 0.127646 O\n0.250000 0.015038 0.549126 O\n0.750000 0.984962 0.450873 O\n0.750000 0.515038 0.950873 O\n0.250000 0.484962 0.049127 O\n0.750000 0.503517 0.294513 O\n0.250000 0.496483 0.705487 O\n0.250000 0.003517 0.205487 O\n0.750000 -0.003517 0.794513 O\n0.056285 0.244229 0.872353 O\n0.250000 0.654532 0.389420 O\n0.250000 0.845468 0.889419 O\n0.750000 0.154532 0.110580 O\n0.443714 0.244229 0.872353 O\n0.943714 0.755771 0.127646 O\n0.556285 0.744229 0.627646 O\n0.443714 0.255771 0.372353 O\n0.750000 0.345468 0.610580 O\n",
"nsites": 32,
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],
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"density_atomic": 0.09249591878033343,
"volume": 345.9612102021075,
"volume_molar": 6.5107097041782485,
"formula_full": "Li4 Ti4 P4 O20",
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"spacegroup": 62
},
{
"id": "jvasp-98119",
"created_at": "2022-09-04T14:36:21.033199Z",
"updated_at": "2022-09-04T14:36:21.033224Z",
"structure_string": "Mn4 Fe4 Bi4 O20\n1.0\n5.705788 0.000000 0.000000\n0.000000 7.490059 -0.000000\n0.000000 -0.000000 8.593952\nMn Fe Bi O\n4 4 4 20\ndirect\n0.500000 0.902478 0.148289 Mn\n0.500000 0.597523 0.648289 Mn\n0.500000 0.402478 0.351711 Mn\n0.500000 0.097523 0.851711 Mn\n0.735426 0.500000 0.000000 Fe\n0.264574 0.500000 0.000000 Fe\n0.735426 0.000000 0.500000 Fe\n0.264574 0.000000 0.500000 Fe\n0.000000 0.652294 0.330419 Bi\n0.000000 0.152294 0.169581 Bi\n0.000000 0.847706 0.830419 Bi\n0.000000 0.347706 0.669581 Bi\n0.000000 0.653362 0.052533 O\n0.718709 0.500000 0.500000 O\n0.500000 0.155779 0.431271 O\n0.500000 0.844221 0.568729 O\n0.281291 0.000000 0.000000 O\n0.256218 0.605559 0.796174 O\n0.743783 0.894441 0.296174 O\n0.743783 0.394441 0.203826 O\n0.256218 0.105559 0.703825 O\n0.718709 0.000000 0.000000 O\n0.281291 0.500000 0.500000 O\n0.500000 0.344221 0.931271 O\n0.743783 0.105559 0.703825 O\n0.743783 0.605559 0.796174 O\n0.256218 0.394441 0.203826 O\n0.256218 0.894441 0.296174 O\n0.000000 0.153362 0.447467 O\n0.500000 0.655779 0.068729 O\n0.000000 0.846638 0.552533 O\n0.000000 0.346638 0.947467 O\n",
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"elements": [
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],
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"density": 7.229614078536108,
"density_atomic": 0.08712768695555731,
"volume": 367.27705185520165,
"volume_molar": 6.91185657559326,
"formula_full": "Mn4 Fe4 Bi4 O20",
"formula_reduced": "MnFeBiO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 55
},
{
"id": "jvasp-86527",
"created_at": "2022-09-04T14:35:58.670737Z",
"updated_at": "2022-09-04T14:35:58.670768Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242110 0.018154 -0.832651\n-0.494071 6.775537 -2.004865\n0.006859 -0.022367 9.109070\nTi Tl P S\n2 2 2 10\ndirect\n0.502336 0.276917 0.000818 Ti\n0.497664 0.723082 0.999182 Ti\n0.725279 0.685059 0.450929 Tl\n0.274722 0.314940 0.549070 Tl\n0.277292 0.895436 0.729093 P\n0.722708 0.104564 0.270906 P\n0.155971 0.692602 0.826389 S\n0.332399 0.543734 0.132522 S\n0.397101 0.061706 0.175279 S\n0.602899 0.938293 0.824720 S\n0.159285 0.163871 0.831310 S\n0.772791 0.188061 0.501786 S\n0.667601 0.456265 0.867478 S\n0.227209 0.811938 0.498213 S\n0.840715 0.836128 0.168690 S\n0.844029 0.307397 0.173610 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "P-S-Ti-Tl",
"density": 3.825270008468006,
"density_atomic": 0.041549071194223984,
"volume": 385.0868272170731,
"volume_molar": 14.494044239518832,
"formula_full": "Ti2 Tl2 P2 S10",
"formula_reduced": "TiTlPS5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-85928",
"created_at": "2022-09-04T14:35:53.099056Z",
"updated_at": "2022-09-04T14:35:53.099080Z",
"structure_string": "Ti2 Tl2 P2 S10\n1.0\n6.242720 0.018070 -0.833090\n-0.494086 6.775387 -2.005032\n0.006167 -0.022650 9.108973\nTi Tl P S\n2 2 2 10\ndirect\n0.502310 0.276925 0.000829 Ti\n0.497690 0.723076 0.999171 Ti\n0.725353 0.685098 0.451008 Tl\n0.274647 0.314902 0.548991 Tl\n0.277306 0.895413 0.729065 P\n0.722694 0.104588 0.270935 P\n0.156007 0.692555 0.826336 S\n0.332387 0.543750 0.132492 S\n0.397107 0.061700 0.175258 S\n0.602893 0.938300 0.824742 S\n0.159307 0.163865 0.831268 S\n0.772803 0.188102 0.501826 S\n0.667613 0.456250 0.867508 S\n0.227197 0.811899 0.498173 S\n0.840692 0.836136 0.168732 S\n0.843993 0.307446 0.173664 S\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "P-S-Ti-Tl",
"density": 3.825100503905308,
"density_atomic": 0.04154723008049144,
"volume": 385.10389185999725,
"volume_molar": 14.49468652502951,
"formula_full": "Ti2 Tl2 P2 S10",
"formula_reduced": "TiTlPS5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.1786995541666667,
"spacegroup": 2
}
]
}