HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=592",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=590",
"results": [
{
"id": "jvasp-53450",
"created_at": "2022-09-04T14:36:48.083814Z",
"updated_at": "2022-09-04T14:36:48.083840Z",
"structure_string": "In4 Sn1 S8\n1.0\n6.608990 0.001191 3.817648\n2.204120 6.234193 3.817648\n0.000000 -0.000000 7.635295\nIn Sn S\n4 1 8\ndirect\n0.491578 0.489885 0.028650 In\n0.491578 0.489885 0.489886 In\n0.491578 0.028650 0.489886 In\n0.888868 0.870377 0.870378 In\n0.027774 0.490741 0.490742 Sn\n0.240572 0.256502 0.256503 S\n0.240572 0.256502 0.746423 S\n0.240572 0.746422 0.256503 S\n0.742671 0.252442 0.252443 S\n0.288831 0.737056 0.737057 S\n0.743469 0.276643 0.739945 S\n0.743469 0.739943 0.276644 S\n0.743469 0.739943 0.739945 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"In",
"Sn",
"S"
],
"chemical_system": "In-S-Sn",
"density": 4.405173230846986,
"density_atomic": 0.041326617864026575,
"volume": 314.5672370957813,
"volume_molar": 14.57206292519299,
"formula_full": "In4 Sn1 S8",
"formula_reduced": "In4SnS8",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.243044736923077,
"spacegroup": 160
},
{
"id": "jvasp-26279",
"created_at": "2022-09-04T14:37:06.538537Z",
"updated_at": "2022-09-04T14:37:06.538565Z",
"structure_string": "Li4 Fe4 As4 O16\n1.0\n4.915716 0.000000 0.000000\n-0.000000 6.058331 0.000000\n0.000000 0.000000 10.562130\nLi Fe As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.013686 0.750000 0.276473 Fe\n0.513686 0.250000 0.223527 Fe\n0.986315 0.250000 0.723527 Fe\n0.486315 0.750000 0.776473 Fe\n0.938460 0.750000 0.592553 As\n0.438460 0.250000 0.907447 As\n0.061541 0.250000 0.407447 As\n0.561541 0.750000 0.092553 As\n0.780389 0.971680 0.669281 O\n0.280389 0.028320 0.830719 O\n0.780389 0.528320 0.669281 O\n0.280389 0.471680 0.830719 O\n0.219612 0.028320 0.330719 O\n0.719612 0.971680 0.169281 O\n0.710302 0.750000 0.943340 O\n0.712425 0.250000 0.406685 O\n0.289699 0.250000 0.056660 O\n0.789699 0.750000 0.443340 O\n0.287574 0.750000 0.593315 O\n0.787576 0.250000 0.906685 O\n0.719612 0.528320 0.169281 O\n0.212426 0.750000 0.093315 O\n0.210301 0.250000 0.556660 O\n0.219612 0.471680 0.330719 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-Li-O",
"density": 4.259267271949581,
"density_atomic": 0.08901572660746448,
"volume": 314.5511592965196,
"volume_molar": 6.765254848231513,
"formula_full": "Li4 Fe4 As4 O16",
"formula_reduced": "LiFeAsO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.408117321428572,
"spacegroup": 62
},
{
"id": "jvasp-105690",
"created_at": "2022-09-04T14:36:06.986356Z",
"updated_at": "2022-09-04T14:36:06.986386Z",
"structure_string": "K1 Rb2 As1 Cl6\n1.0\n6.610920 -0.000000 3.816816\n2.203640 6.232835 3.816816\n-0.000000 -0.000000 7.633632\nK Rb As Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 As\n0.768419 0.231581 0.231581 Cl\n0.231581 0.231581 0.768419 Cl\n0.231581 0.768419 0.768420 Cl\n0.231581 0.768419 0.231581 Cl\n0.768419 0.231581 0.768420 Cl\n0.768420 0.768419 0.231582 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"As",
"Cl"
],
"chemical_system": "As-Cl-K-Rb",
"density": 2.627331435117829,
"density_atomic": 0.03179224879548574,
"volume": 314.54207798662935,
"volume_molar": 18.942166685783793,
"formula_full": "K1 Rb2 As1 Cl6",
"formula_reduced": "KRb2AsCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-13353",
"created_at": "2022-09-04T14:36:56.666599Z",
"updated_at": "2022-09-04T14:36:56.666621Z",
"structure_string": "Ce2 Nd4 S8\n1.0\n7.420529 0.019941 0.000000\n-2.454710 7.002789 -0.000000\n-2.482910 -3.511365 6.047325\nCe Nd S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ce\n0.875000 0.125000 0.749999 Ce\n0.132977 0.750000 0.882976 Nd\n0.250000 0.632977 0.382977 Nd\n0.367023 0.250000 0.617023 Nd\n0.750000 0.867023 0.117023 Nd\n-0.000648 0.851292 0.501923 S\n0.997429 0.349369 0.498076 S\n0.148708 0.150632 0.148061 S\n0.351292 0.499353 0.001923 S\n0.650632 0.648709 0.648060 S\n0.500647 0.002571 0.851938 S\n0.502571 0.000648 0.351939 S\n0.849368 0.497430 0.998076 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Nd",
"S"
],
"chemical_system": "Ce-Nd-S",
"density": 5.87958936233525,
"density_atomic": 0.04450921296960164,
"volume": 314.541621069812,
"volume_molar": 13.530099406864212,
"formula_full": "Ce2 Nd4 S8",
"formula_reduced": "Ce(NdS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.811184071428571,
"spacegroup": 122
},
{
"id": "jvasp-119724",
"created_at": "2022-09-04T14:38:51.856300Z",
"updated_at": "2022-09-04T14:38:51.856330Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.384093 0.000439 -0.000009\n-2.692244 5.239964 -0.000082\n-0.000014 0.000243 11.148380\nNa Fe O\n8 4 12\ndirect\n0.038123 0.075851 0.144785 Na\n0.461877 0.924144 0.644784 Na\n0.538122 0.075853 0.355217 Na\n0.961874 0.924149 0.855215 Na\n0.131536 0.263391 0.577938 Na\n0.368467 0.736609 0.077938 Na\n0.868465 0.736608 0.422062 Na\n0.631531 0.263390 0.922062 Na\n0.244357 0.488567 0.344192 Fe\n0.744358 0.488566 0.155806 Fe\n0.255642 0.511432 0.844193 Fe\n0.755644 0.511431 0.655809 Fe\n0.656388 0.312695 0.531147 O\n0.053331 0.606424 0.249961 O\n0.553327 0.606417 0.250038 O\n0.446672 0.393587 0.749962 O\n0.946671 0.393574 0.750040 O\n0.078781 0.157620 0.359113 O\n0.421216 0.842376 0.859113 O\n0.578783 0.157618 0.140888 O\n0.921223 0.842379 0.640886 O\n0.343615 0.687304 0.468853 O\n0.156390 0.312696 0.968853 O\n0.843613 0.687305 0.031146 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 3.1638508855719114,
"density_atomic": 0.07630279181762034,
"volume": 314.5363285967967,
"volume_molar": 7.89242518726468,
"formula_full": "Na8 Fe4 O12",
"formula_reduced": "Na2FeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4458056666666668,
"spacegroup": 64
},
{
"id": "jvasp-50748",
"created_at": "2022-09-04T14:37:29.504932Z",
"updated_at": "2022-09-04T14:37:29.504955Z",
"structure_string": "Na1 Al11 O17\n1.0\n5.649359 0.000000 -0.000000\n-2.824680 1.630829 11.379505\n2.824680 -4.892489 0.000000\nNa Al O\n1 11 17\ndirect\n0.825742 0.477225 0.825742 Na\n0.903653 0.212742 0.903653 Al\n0.903653 0.212742 0.405433 Al\n0.649337 0.948009 0.649337 Al\n0.349857 0.049569 0.349857 Al\n0.550119 0.650356 0.550119 Al\n0.405433 0.212742 0.903653 Al\n0.592514 0.785990 0.096738 Al\n0.096739 0.785990 0.592514 Al\n0.999936 0.999806 0.999936 Al\n0.096739 0.785990 0.096738 Al\n0.450466 0.351398 0.450466 Al\n0.811007 0.900522 0.278508 O\n0.719264 0.100368 0.190553 O\n0.811007 0.900522 0.811007 O\n0.905857 0.712178 0.403159 O\n0.601050 0.292186 0.601050 O\n0.403159 0.712178 0.905857 O\n0.190553 0.100368 0.719264 O\n0.278509 0.900522 0.811007 O\n0.601050 0.292186 0.090088 O\n0.403159 0.712178 0.403159 O\n0.090088 0.292186 0.601050 O\n0.190553 0.100368 0.190553 O\n0.703329 0.109985 0.703329 O\n0.094301 0.282905 0.094301 O\n0.296745 0.890234 0.296745 O\n0.500221 0.500665 0.500221 O\n0.904284 0.712850 0.904284 O\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Na",
"Al",
"O"
],
"chemical_system": "Al-Na-O",
"density": 3.12431206049749,
"density_atomic": 0.0922031153686155,
"volume": 314.5229950643419,
"volume_molar": 6.531385339773284,
"formula_full": "Na1 Al11 O17",
"formula_reduced": "NaAl11O17",
"formula_anonymous": "AB11C17",
"energy_above_hull": 2.496319975862069,
"spacegroup": 160
},
{
"id": "jvasp-12949",
"created_at": "2022-09-04T14:36:40.416207Z",
"updated_at": "2022-09-04T14:36:40.416232Z",
"structure_string": "K4 Ti2 S6\n1.0\n6.519543 0.058066 0.249040\n0.214506 6.754680 2.313908\n0.090314 -0.011395 7.142661\nK Ti S\n4 2 6\ndirect\n0.720365 0.176096 0.507960 K\n0.220366 0.507960 0.176095 K\n0.779634 0.492041 0.823905 K\n0.279634 0.823906 0.492040 K\n0.750000 0.914773 0.085228 Ti\n0.249999 0.085228 0.914772 Ti\n0.250000 0.351822 0.648178 S\n0.750000 0.648179 0.351822 S\n-0.000149 0.875919 0.844641 S\n0.500149 0.155360 0.124082 S\n0.499851 0.844642 0.875918 S\n0.000149 0.124082 0.155359 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Ti",
"S"
],
"chemical_system": "K-S-Ti",
"density": 2.3471186475258534,
"density_atomic": 0.03815738661371797,
"volume": 314.4869464326962,
"volume_molar": 15.782372155002301,
"formula_full": "K4 Ti2 S6",
"formula_reduced": "K2TiS3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.163555722222222,
"spacegroup": 15
},
{
"id": "jvasp-28748",
"created_at": "2022-09-04T14:38:33.486034Z",
"updated_at": "2022-09-04T14:38:33.486061Z",
"structure_string": "Mo4 Se4 S4\n1.0\n3.256815 -0.000000 0.000000\n-1.628408 2.820441 -0.000011\n0.000000 -0.000187 34.235916\nMo Se S\n4 4 4\ndirect\n0.333316 0.666633 0.094812 Mo\n0.333314 0.666632 0.469355 Mo\n0.666680 0.333362 0.282079 Mo\n0.666685 0.333373 0.656667 Mo\n0.333348 0.666699 0.331685 Se\n0.333350 0.666702 0.706229 Se\n0.333342 0.666688 0.232474 Se\n0.333352 0.666706 0.607053 Se\n0.666649 0.333299 0.049692 S\n0.666642 0.333286 0.424184 S\n0.666651 0.333301 0.139993 S\n0.666656 0.333312 0.514527 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se",
"density": 4.371333443817015,
"density_atomic": 0.038158314666719845,
"volume": 314.47929775750606,
"volume_molar": 15.781988310013782,
"formula_full": "Mo4 Se4 S4",
"formula_reduced": "MoSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.483409755555556,
"spacegroup": 156
},
{
"id": "jvasp-76246",
"created_at": "2022-09-04T14:36:40.071754Z",
"updated_at": "2022-09-04T14:36:40.071780Z",
"structure_string": "Sc10 Si6\n1.0\n7.896434 -0.000000 -0.000000\n-3.948216 6.838512 0.000000\n-0.000000 -0.000000 5.823690\nSc Si\n10 6\ndirect\n-0.000000 0.758115 0.750000 Sc\n-0.000000 0.241885 0.250000 Sc\n0.758114 0.758115 0.250000 Sc\n0.758114 0.000000 0.750000 Sc\n0.241885 0.241885 0.750000 Sc\n0.241885 0.000000 0.250000 Sc\n0.333332 0.666667 0.500000 Sc\n0.666666 0.333333 0.000000 Sc\n0.666666 0.333333 0.500000 Sc\n0.333332 0.666667 0.000000 Sc\n0.394074 0.000000 0.750000 Si\n0.394073 0.394074 0.250000 Si\n-0.000000 0.605926 0.250000 Si\n-0.000000 0.394074 0.750000 Si\n0.605926 0.605926 0.750000 Si\n0.605926 0.000000 0.250000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sc",
"Si"
],
"chemical_system": "Sc-Si",
"density": 3.263603416825204,
"density_atomic": 0.050877892159847726,
"volume": 314.47843691580886,
"volume_molar": 11.836458831823633,
"formula_full": "Sc10 Si6",
"formula_reduced": "Sc5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.16753025625,
"spacegroup": 193
},
{
"id": "jvasp-29102",
"created_at": "2022-09-04T14:38:34.240063Z",
"updated_at": "2022-09-04T14:38:34.240078Z",
"structure_string": "Te8 Mo4\n1.0\n3.569294 0.000000 -0.000000\n-1.784646 3.091099 -0.000000\n-0.000000 -0.000000 28.501897\nTe Mo\n8 4\ndirect\n0.333332 0.666667 0.188547 Te\n0.333332 0.666667 0.688530 Te\n0.666666 0.333333 0.938590 Te\n0.666666 0.333333 0.438572 Te\n0.666666 0.333333 0.065730 Te\n0.666666 0.333333 0.565712 Te\n0.333332 0.666667 0.315688 Te\n0.333332 0.666667 0.815669 Te\n0.333332 0.666667 0.002160 Mo\n0.333332 0.666667 0.502142 Mo\n0.666666 0.333333 0.252117 Mo\n0.666666 0.333333 0.752099 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.416865283089481,
"density_atomic": 0.03816034067450947,
"volume": 314.46260143101443,
"volume_molar": 15.78115041311122,
"formula_full": "Te8 Mo4",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2307738111111117,
"spacegroup": 194
},
{
"id": "jvasp-57344",
"created_at": "2022-09-04T14:38:16.505532Z",
"updated_at": "2022-09-04T14:38:16.505556Z",
"structure_string": "Mn6 P4 O16\n1.0\n0.000000 5.272623 -0.020696\n6.690621 0.000000 0.000000\n0.000000 -4.437952 -8.896605\nMn P O\n6 4 16\ndirect\n0.781979 0.654270 0.874516 Mn\n0.218020 0.345730 0.125484 Mn\n0.781979 0.845730 0.374516 Mn\n0.500000 0.500000 0.500000 Mn\n0.218020 0.154270 0.625484 Mn\n0.500000 0.000000 0.000000 Mn\n0.843645 0.336255 0.305802 P\n0.843644 0.163745 0.805802 P\n0.156355 0.836255 0.194198 P\n0.156355 0.663745 0.694198 P\n0.131192 0.657225 0.089098 O\n0.737309 0.981733 0.863325 O\n0.262691 0.018267 0.136675 O\n0.737309 0.518267 0.363325 O\n0.370180 0.794491 0.359171 O\n0.629819 0.205509 0.640829 O\n0.143399 0.374371 0.315789 O\n0.262691 0.481733 0.636675 O\n0.868807 0.342775 0.910902 O\n0.370180 0.705509 0.859171 O\n0.629820 0.294491 0.140829 O\n0.131192 0.842775 0.589098 O\n0.856601 0.625629 0.684211 O\n0.856601 0.874371 0.184211 O\n0.143399 0.125629 0.815789 O\n0.868807 0.157225 0.410902 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 3.7466481377069214,
"density_atomic": 0.08268112220668364,
"volume": 314.4611406580335,
"volume_molar": 7.283574048433989,
"formula_full": "Mn6 P4 O16",
"formula_reduced": "Mn3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.433356209549072,
"spacegroup": 14
},
{
"id": "jvasp-35135",
"created_at": "2022-09-04T14:37:33.645809Z",
"updated_at": "2022-09-04T14:37:33.645836Z",
"structure_string": "Ce6 Zr2 O16\n1.0\n7.624079 -0.032576 -0.038004\n-0.032575 7.624079 -0.038004\n-0.027047 -0.027047 5.410048\nCe Zr O\n6 2 16\ndirect\n0.007250 0.003216 0.009204 Ce\n0.000736 0.499264 0.000000 Ce\n0.253217 0.757250 0.509205 Ce\n0.742750 0.246783 0.490797 Ce\n0.496784 0.492749 0.990797 Ce\n0.749265 0.750735 0.500001 Ce\n0.242277 0.257723 0.500001 Zr\n0.507724 0.992277 0.000001 Zr\n0.488079 0.768665 0.227214 O\n0.739302 0.505729 0.253177 O\n0.731335 0.011920 0.772788 O\n0.479764 0.260263 0.696559 O\n0.510263 0.229763 0.196559 O\n0.756031 0.991234 0.260091 O\n0.241234 0.506028 0.760089 O\n0.270237 0.989737 0.803443 O\n0.010699 0.744270 0.246824 O\n0.261923 0.481335 0.272787 O\n0.508766 0.743970 0.739912 O\n0.018665 0.238077 0.727214 O\n0.993972 0.258766 0.239913 O\n0.239736 0.020235 0.303442 O\n0.994271 0.760698 0.746826 O\n0.755730 0.489301 0.753177 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.754901959543692,
"density_atomic": 0.0763246841322001,
"volume": 314.4461097071845,
"volume_molar": 7.890161392046114,
"formula_full": "Ce6 Zr2 O16",
"formula_reduced": "Ce3ZrO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.759437416666667,
"spacegroup": 15
}
]
}