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=373",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=371",
"results": [
{
"id": "jvasp-29106",
"created_at": "2022-09-04T14:35:53.007467Z",
"updated_at": "2022-09-04T14:35:53.007496Z",
"structure_string": "Te4 Mo3 W1 Se2 S2\n1.0\n3.400375 -0.000000 0.000000\n-1.700188 2.944812 -0.000009\n-0.000002 -0.000109 38.721049\nTe Mo W Se S\n4 3 1 2 2\ndirect\n0.333350 0.666703 0.330298 Te\n0.666645 0.333291 0.045456 Te\n0.666643 0.333288 0.142238 Te\n0.333348 0.666699 0.233474 Te\n0.333311 0.666623 0.093796 Mo\n0.333314 0.666627 0.469679 Mo\n0.666683 0.333370 0.281885 Mo\n0.666689 0.333381 0.657535 W\n0.666642 0.333285 0.427044 Se\n0.666649 0.333300 0.512317 Se\n0.333359 0.666720 0.696458 S\n0.333354 0.666708 0.618568 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.156841195899781,
"density_atomic": 0.030949222482404996,
"volume": 387.7318729677989,
"volume_molar": 19.458132634587702,
"formula_full": "Te4 Mo3 W1 Se2 S2",
"formula_reduced": "Te4Mo3W(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 3.636738791666666,
"spacegroup": 156
},
{
"id": "jvasp-13318",
"created_at": "2022-09-04T14:37:11.952925Z",
"updated_at": "2022-09-04T14:37:11.952946Z",
"structure_string": "Ba2 Nd4 Se8\n1.0\n7.956276 -0.012218 -0.000000\n-2.663611 7.497176 -0.000000\n-2.646331 -3.742479 6.503326\nBa Nd Se\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ba\n0.875001 0.125000 0.750000 Ba\n0.125964 0.750000 0.875964 Nd\n0.250000 0.625964 0.375964 Nd\n0.374037 0.250000 0.624037 Nd\n0.750001 0.874037 0.124036 Nd\n0.015777 0.856027 0.496244 Se\n0.019534 0.359783 0.503757 Se\n0.480467 0.984224 0.340250 Se\n0.143974 0.140217 0.159750 Se\n0.356027 0.515777 0.996244 Se\n0.640218 0.643974 0.659751 Se\n0.484225 0.980467 0.840250 Se\n0.859783 0.519534 0.003756 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Nd",
"Se"
],
"chemical_system": "Ba-Nd-Se",
"density": 6.35290876019461,
"density_atomic": 0.03610954149833972,
"volume": 387.70915993612675,
"volume_molar": 16.677422393405056,
"formula_full": "Ba2 Nd4 Se8",
"formula_reduced": "Ba(NdSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1112860623809522,
"spacegroup": 122
},
{
"id": "jvasp-119304",
"created_at": "2022-09-04T14:38:48.911840Z",
"updated_at": "2022-09-04T14:38:48.911858Z",
"structure_string": "Cr4 Ag8 O16\n1.0\n5.568876 -0.000000 0.000000\n0.000000 6.950971 0.000000\n-0.000000 -0.000000 10.014255\nCr Ag O\n4 8 16\ndirect\n0.025044 0.750000 0.317808 Cr\n0.525044 0.250000 0.182192 Cr\n0.974957 0.250000 0.682193 Cr\n0.474956 0.750000 0.817808 Cr\n0.992572 0.750000 0.640363 Ag\n0.492572 0.250000 0.859638 Ag\n0.507429 0.750000 0.140362 Ag\n0.007429 0.250000 0.359638 Ag\n0.500000 0.000000 0.500000 Ag\n-0.000000 0.500000 -0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.151177 0.554140 0.385851 O\n0.348824 0.554140 0.885852 O\n0.848824 0.445860 0.614149 O\n0.348824 0.945860 0.885852 O\n0.848824 0.054140 0.614149 O\n0.651177 0.445860 0.114149 O\n0.769213 0.750000 0.850079 O\n0.582872 0.250000 0.348787 O\n0.230788 0.250000 0.149921 O\n0.730788 0.750000 0.350079 O\n0.417129 0.750000 0.651213 O\n0.917129 0.250000 0.848787 O\n0.151177 0.945860 0.385851 O\n0.082871 0.750000 0.151213 O\n0.269213 0.250000 0.649922 O\n0.651177 0.054140 0.114149 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cr",
"Ag",
"O"
],
"chemical_system": "Ag-Cr-O",
"density": 5.6841076998179405,
"density_atomic": 0.07223145464518581,
"volume": 387.642753943433,
"volume_molar": 8.337282960147851,
"formula_full": "Cr4 Ag8 O16",
"formula_reduced": "Cr(AgO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.090899417142857,
"spacegroup": 62
},
{
"id": "jvasp-57368",
"created_at": "2022-09-04T14:37:44.668906Z",
"updated_at": "2022-09-04T14:37:44.668922Z",
"structure_string": "Rb2 V2 I4 O16\n1.0\n5.280945 -0.019132 0.017521\n-0.213204 7.983138 0.148368\n-0.158454 -3.077539 9.135620\nRb V I O\n2 2 4 16\ndirect\n0.265599 0.807130 0.081041 Rb\n0.734403 0.192870 0.918959 Rb\n0.764538 0.637302 0.302252 V\n0.235465 0.362698 0.697749 V\n0.682620 0.145820 0.438784 I\n0.742899 0.630691 0.767929 I\n0.257103 0.369310 0.232071 I\n0.317382 0.854180 0.561216 I\n0.921956 0.652501 0.456770 O\n0.996125 0.502824 0.830006 O\n0.485795 0.522888 0.845168 O\n0.803879 0.827634 0.267399 O\n0.570132 0.329877 0.599124 O\n0.781539 0.827342 0.919059 O\n0.630873 0.963561 0.614165 O\n0.218463 0.172658 0.080942 O\n0.429870 0.670123 0.400876 O\n0.514207 0.477113 0.154832 O\n0.680879 0.263293 0.300949 O\n0.078046 0.347499 0.543230 O\n0.369129 0.036440 0.385835 O\n0.319123 0.736708 0.699052 O\n0.003877 0.497176 0.169994 O\n0.196123 0.172367 0.732601 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"V",
"I",
"O"
],
"chemical_system": "I-O-Rb-V",
"density": 4.440761244091991,
"density_atomic": 0.06192712246764528,
"volume": 387.5523202703169,
"volume_molar": 9.724560935551875,
"formula_full": "Rb2 V2 I4 O16",
"formula_reduced": "RbV(IO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.138520395833334,
"spacegroup": 2
},
{
"id": "jvasp-29122",
"created_at": "2022-09-04T14:36:50.423549Z",
"updated_at": "2022-09-04T14:36:50.423567Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.416157 -0.000001 -0.000001\n-1.708079 2.958480 -0.000001\n-0.000021 -0.000028 38.343440\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333358 0.666716 0.706327 Te\n0.666640 0.333279 0.045405 Te\n0.666648 0.333296 0.142819 Te\n0.333351 0.666702 0.608480 Te\n0.333300 0.666601 0.093921 Mo\n0.333321 0.666642 0.469622 Mo\n0.666685 0.333370 0.281830 W\n0.666688 0.333372 0.657517 W\n0.666643 0.333284 0.426774 Se\n0.666649 0.333296 0.512501 Se\n0.333364 0.666725 0.321083 S\n0.333356 0.666713 0.242471 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.5362731995040715,
"density_atomic": 0.030965905686256984,
"volume": 387.5229783873473,
"volume_molar": 19.447649363192024,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4644741333333333,
"spacegroup": 156
},
{
"id": "jvasp-120479",
"created_at": "2022-09-04T14:38:39.232183Z",
"updated_at": "2022-09-04T14:38:39.232210Z",
"structure_string": "K2 Dy6 F20\n1.0\n7.087053 -0.000000 4.091712\n2.362351 6.681738 4.091712\n-0.000000 -0.000000 8.183424\nK Dy F\n2 6 20\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.749999 K\n0.760159 0.239841 0.239841 Dy\n0.239840 0.760160 0.760159 Dy\n0.239840 0.760160 0.239840 Dy\n0.760159 0.239841 0.760159 Dy\n0.239841 0.239841 0.760159 Dy\n0.760159 0.760160 0.239840 Dy\n0.832539 0.167461 0.500000 F\n0.112223 0.112223 0.112223 F\n0.887776 0.887777 0.887776 F\n0.887777 0.336669 0.887776 F\n0.112223 0.663331 0.112223 F\n0.887776 0.887777 0.336668 F\n0.167460 0.832540 0.500000 F\n0.112223 0.112223 0.663331 F\n0.500000 0.500000 0.167460 F\n0.167460 0.500000 0.832539 F\n0.832539 0.500000 0.167460 F\n0.500000 0.167461 0.500000 F\n0.663331 0.112223 0.112223 F\n0.500000 0.832540 0.500000 F\n0.500000 0.167461 0.832539 F\n0.500000 0.832540 0.167460 F\n0.167460 0.500000 0.500000 F\n0.832539 0.500000 0.500000 F\n0.500000 0.500000 0.832539 F\n0.336669 0.887777 0.887776 F\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Dy",
"F"
],
"chemical_system": "Dy-F-K",
"density": 6.141225050031897,
"density_atomic": 0.07225499160656823,
"volume": 387.51647986427423,
"volume_molar": 8.334567102008446,
"formula_full": "K2 Dy6 F20",
"formula_reduced": "KDy3F10",
"formula_anonymous": "AB3C10",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-24628",
"created_at": "2022-09-04T14:37:18.173195Z",
"updated_at": "2022-09-04T14:37:18.173205Z",
"structure_string": "Hg6 Se4 Cl4\n1.0\n7.499708 -0.000000 -2.651548\n-3.749854 6.494937 -2.651548\n0.000000 0.000000 7.954642\nHg Se Cl\n6 4 4\ndirect\n0.750001 0.940205 0.190205 Hg\n0.309795 0.250000 0.559795 Hg\n0.559795 0.309795 0.250000 Hg\n0.190206 0.750000 0.940205 Hg\n0.940205 0.190205 0.750000 Hg\n0.250000 0.559795 0.309795 Hg\n0.947195 0.500000 -0.000000 Se\n0.500000 -0.000000 0.947194 Se\n0.552806 0.552806 0.552806 Se\n0.000001 0.947195 0.500000 Se\n0.468501 0.500000 -0.000000 Cl\n0.500000 -0.000000 0.468500 Cl\n0.000000 0.468500 0.500000 Cl\n0.031500 0.031500 0.031500 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Se",
"Cl"
],
"chemical_system": "Cl-Hg-Se",
"density": 7.119163909767298,
"density_atomic": 0.03613167535247284,
"volume": 387.4716537062499,
"volume_molar": 16.667205993778666,
"formula_full": "Hg6 Se4 Cl4",
"formula_reduced": "Hg3(SeCl)2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 0.0,
"spacegroup": 199
},
{
"id": "jvasp-22439",
"created_at": "2022-09-04T14:37:59.656937Z",
"updated_at": "2022-09-04T14:37:59.656963Z",
"structure_string": "Ba4 Si10 N16\n1.0\n5.831452 0.000000 0.000000\n0.000000 7.019025 0.000000\n0.000000 0.000000 9.463898\nBa Si N\n4 10 16\ndirect\n0.500000 0.121599 0.132275 Ba\n0.000000 0.878402 0.632275 Ba\n0.500000 0.145553 0.499610 Ba\n0.000000 0.854448 -0.000390 Ba\n0.250944 0.663597 0.320856 Si\n0.249056 0.336404 0.820856 Si\n0.749056 0.663597 0.320856 Si\n0.000000 0.052316 0.322473 Si\n0.750944 0.336404 0.820856 Si\n0.000000 0.419330 0.539416 Si\n0.500000 0.580671 0.039416 Si\n0.000000 0.399555 0.103477 Si\n0.500000 0.600446 0.603477 Si\n0.500000 0.947685 0.822473 Si\n0.253245 0.553722 0.493232 N\n0.238405 0.905144 0.330370 N\n0.261595 0.094857 0.830371 N\n0.761594 0.905144 0.330370 N\n0.738405 0.094857 0.830371 N\n0.246755 0.446278 0.993232 N\n0.753245 0.446278 0.993232 N\n0.500000 0.580564 0.229574 N\n0.000000 0.576180 0.235412 N\n0.500000 0.423821 0.735413 N\n0.000000 0.175222 0.164723 N\n0.500000 0.824779 0.664724 N\n0.000000 0.419437 0.729575 N\n0.000000 0.198035 0.471165 N\n0.746755 0.553722 0.493232 N\n0.500000 0.801965 0.971165 N\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si",
"density": 4.519365677491622,
"density_atomic": 0.07744577129802019,
"volume": 387.367825217423,
"volume_molar": 7.775945231181329,
"formula_full": "Ba4 Si10 N16",
"formula_reduced": "Ba2Si5N8",
"formula_anonymous": "A2B5C8",
"energy_above_hull": 4.586508729333333,
"spacegroup": 31
},
{
"id": "jvasp-29007",
"created_at": "2022-09-04T14:37:43.383793Z",
"updated_at": "2022-09-04T14:37:43.383812Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.398609 -0.000001 -0.000000\n-1.699306 2.943285 -0.000001\n0.000004 -0.000004 38.720110\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333351 0.666706 0.705911 Te\n0.666642 0.333284 0.045540 Te\n0.666644 0.333288 0.142388 Te\n0.333356 0.666716 0.609103 Te\n0.333306 0.666613 0.093902 Mo\n0.666687 0.333377 0.657563 Mo\n0.333311 0.666624 0.469645 W\n0.666688 0.333377 0.281801 W\n0.666647 0.333294 0.426869 Se\n0.666647 0.333296 0.512428 Se\n0.333357 0.666716 0.320755 S\n0.333352 0.666708 0.242841 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.539173182572479,
"density_atomic": 0.030982126092828702,
"volume": 387.32009430358585,
"volume_molar": 19.43746772560557,
"formula_full": "Te4 Mo2 W2 Se2 S2",
"formula_reduced": "Te2MoWSeS",
"formula_anonymous": "ABCDE2",
"energy_above_hull": 3.4616374666666667,
"spacegroup": 156
},
{
"id": "jvasp-29031",
"created_at": "2022-09-04T14:36:48.091042Z",
"updated_at": "2022-09-04T14:36:48.091065Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.411136 -0.000002 0.000002\n-1.705569 2.954085 -0.000038\n0.000025 -0.000480 38.436742\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333368 0.666734 0.706294 Te\n0.666638 0.333273 0.045411 Te\n0.666648 0.333294 0.142664 Te\n0.333356 0.666709 0.608474 Te\n0.333312 0.666622 0.093875 Mo\n0.333327 0.666652 0.469648 W\n0.666688 0.333372 0.281815 W\n0.666694 0.333386 0.657537 W\n0.333364 0.666728 0.324848 Se\n0.333356 0.666712 0.238857 Se\n0.666631 0.333257 0.430460 S\n0.666639 0.333275 0.508863 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.916044276049801,
"density_atomic": 0.030982239176534313,
"volume": 387.3186806035859,
"volume_molar": 19.43739677976897,
"formula_full": "Te4 Mo1 W3 Se2 S2",
"formula_reduced": "Te4MoW3(SeS)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.037823641666667,
"spacegroup": 156
},
{
"id": "jvasp-97540",
"created_at": "2022-09-04T14:35:59.861427Z",
"updated_at": "2022-09-04T14:35:59.861457Z",
"structure_string": "Zn2 H16 C8 O16\n1.0\n4.354798 6.734920 -0.699570\n-4.354798 6.734920 0.699570\n0.022317 0.000000 6.599075\nZn H C O\n2 16 8 16\ndirect\n0.500000 -0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.488115 0.759853 0.253876 H\n0.759853 0.488114 0.246124 H\n0.511886 0.240146 0.746123 H\n0.240147 0.511885 0.753876 H\n0.712004 0.417062 0.045557 H\n0.417062 0.712004 0.454443 H\n0.287996 0.582938 0.954442 H\n0.582939 0.287996 0.545557 H\n0.151136 0.350991 0.389769 H\n0.649009 0.848864 0.889769 H\n0.848864 0.649008 0.610230 H\n0.553375 0.145053 0.122383 H\n0.145053 0.553375 0.377617 H\n0.446625 0.854947 0.877616 H\n0.854947 0.446624 0.622382 H\n0.350991 0.151136 0.110231 H\n0.132617 0.900872 0.003336 C\n0.867383 0.099128 0.996663 C\n0.099128 0.867382 0.503336 C\n0.900872 0.132617 0.496663 C\n0.900352 0.949046 0.504425 C\n0.050954 0.099648 0.004425 C\n0.099648 0.050954 0.495574 C\n0.949047 0.900351 0.995574 C\n0.216660 0.705603 0.505924 O\n0.294397 0.783340 0.005924 O\n0.783340 0.294397 0.494076 O\n0.880487 0.784382 0.989654 O\n0.784383 0.880486 0.510345 O\n0.119514 0.215618 0.010345 O\n0.215618 0.119513 0.489654 O\n0.514057 0.746751 0.403884 O\n0.253249 0.485943 0.903884 O\n0.485943 0.253248 0.596115 O\n0.098985 0.473371 0.307558 O\n0.473372 0.098985 0.192442 O\n0.901015 0.526628 0.692442 O\n0.526629 0.901015 0.807557 O\n0.746752 0.514057 0.096116 O\n0.705603 0.216660 0.994075 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Zn",
"H",
"C",
"O"
],
"chemical_system": "C-H-O-Zn",
"density": 2.1395309001801133,
"density_atomic": 0.10844259438834176,
"volume": 387.30168931217725,
"volume_molar": 5.553298308627903,
"formula_full": "Zn2 H16 C8 O16",
"formula_reduced": "ZnH8(CO2)4",
"formula_anonymous": "AB4C8D8",
"energy_above_hull": 3.7247504,
"spacegroup": 15
},
{
"id": "jvasp-34022",
"created_at": "2022-09-04T14:38:30.367577Z",
"updated_at": "2022-09-04T14:38:30.367604Z",
"structure_string": "Te4 Mo6 S8\n1.0\n1.821522 2.775105 0.000019\n-0.000106 0.000038 -13.601111\n-6.258954 6.093975 0.000029\nTe Mo S\n4 6 8\ndirect\n0.875329 0.613392 0.249326 Te\n0.457992 0.113391 0.084011 Te\n0.458002 0.386608 0.084008 Te\n0.875338 0.886609 0.249324 Te\n0.233710 0.249999 0.532578 Mo\n0.439168 0.750001 0.121676 Mo\n0.894163 0.249999 0.211658 Mo\n0.757981 0.750000 0.484045 Mo\n0.575360 0.249999 0.849290 Mo\n0.099627 0.750001 0.800756 Mo\n0.547565 0.863626 0.904892 S\n0.547556 0.636376 0.904894 S\n0.785773 0.136374 0.428443 S\n0.126605 0.364292 0.746823 S\n0.206743 0.864294 0.586509 S\n0.206734 0.635707 0.586511 S\n0.126596 0.135706 0.746825 S\n0.785781 0.363624 0.428441 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Te",
"Mo",
"S"
],
"chemical_system": "Mo-S-Te",
"density": 5.75741584967502,
"density_atomic": 0.04648547819884679,
"volume": 387.21770104209753,
"volume_molar": 12.954886113550613,
"formula_full": "Te4 Mo6 S8",
"formula_reduced": "Te2Mo3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.521017025925925,
"spacegroup": 63
}
]
}