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=3544",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3542",
"results": [
{
"id": "jvasp-86704",
"created_at": "2022-09-04T14:35:42.101491Z",
"updated_at": "2022-09-04T14:35:42.101512Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412808845815018,
"density_atomic": 0.06396027624969913,
"volume": 234.5205630669952,
"volume_molar": 9.415438946026017,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627496633333333,
"spacegroup": 162
},
{
"id": "jvasp-86104",
"created_at": "2022-09-04T14:35:53.060344Z",
"updated_at": "2022-09-04T14:35:53.060356Z",
"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.369767 0.000000 0.000000\n-3.184884 5.516381 -0.000000\n-0.000000 -0.000000 6.674365\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.500121 Cd\n0.333333 0.666667 0.499880 Cd\n0.000000 0.000000 0.000000 Ru\n0.250127 0.000066 0.183222 C\n0.000066 0.749939 0.816778 C\n0.749940 0.749873 0.183222 C\n0.749874 0.999934 0.816778 C\n0.999935 0.250061 0.183222 C\n0.250061 0.250127 0.816778 C\n0.385715 0.385789 0.696121 N\n0.999927 0.385714 0.303880 N\n0.614286 0.614211 0.303880 N\n0.385789 0.000073 0.303880 N\n0.000073 0.614285 0.696121 N\n0.614212 0.999927 0.696121 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Cd",
"Ru",
"C",
"N"
],
"chemical_system": "C-Cd-N-Ru",
"density": 3.412755209877636,
"density_atomic": 0.06395927104562035,
"volume": 234.52424886614045,
"volume_molar": 9.415586922034453,
"formula_full": "Cd2 Ru1 C6 N6",
"formula_reduced": "Cd2Ru(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 5.627499299999999,
"spacegroup": 162
},
{
"id": "jvasp-155",
"created_at": "2022-09-04T14:36:58.147946Z",
"updated_at": "2022-09-04T14:36:58.147971Z",
"structure_string": "Pd4 S8\n1.0\n5.532249 0.000000 0.000000\n0.000000 5.612249 0.000000\n0.000000 0.000000 7.553893\nPd S\n4 8\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.604570 0.109947 0.082911 S\n0.104570 0.390053 0.917088 S\n0.395431 0.609948 0.417089 S\n0.895431 0.890053 0.582911 S\n0.104570 0.109947 0.417089 S\n0.604570 0.390053 0.582911 S\n0.895431 0.609948 0.082911 S\n0.395431 0.890053 0.917088 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pd",
"S"
],
"chemical_system": "Pd-S",
"density": 4.8300467414818895,
"density_atomic": 0.0511648572816802,
"volume": 234.53598109217538,
"volume_molar": 11.770072428514823,
"formula_full": "Pd4 S8",
"formula_reduced": "PdS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5107585666666663,
"spacegroup": 61
},
{
"id": "jvasp-85779",
"created_at": "2022-09-04T14:36:20.803831Z",
"updated_at": "2022-09-04T14:36:20.803859Z",
"structure_string": "Tl2 Cu2 H2 S2 O10\n1.0\n8.842240 0.000000 -0.886728\n0.000000 5.877755 0.000000\n-0.033881 0.000000 4.516345\nTl Cu H S O\n2 2 2 2 10\ndirect\n0.604870 0.250000 0.886481 Tl\n0.395130 0.749999 0.113520 Tl\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.892893 0.250000 0.589183 H\n0.107107 0.749999 0.410817 H\n0.227325 0.250000 0.510706 S\n0.772675 0.749999 0.489295 S\n0.641148 0.749999 0.660799 O\n0.358852 0.250000 0.339202 O\n0.220529 0.041262 0.689753 O\n0.779471 0.541261 0.310247 O\n0.891026 0.250000 0.807004 O\n0.220529 0.458738 0.689753 O\n0.108975 0.749999 0.192997 O\n0.078953 0.250000 0.291743 O\n0.779471 0.958737 0.310247 O\n0.921047 0.749999 0.708258 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Tl",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-O-S-Tl",
"density": 5.394723144883549,
"density_atomic": 0.07674294556558987,
"volume": 234.54924576247785,
"volume_molar": 7.847158739630418,
"formula_full": "Tl2 Cu2 H2 S2 O10",
"formula_reduced": "TlCuHSO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.904603394444444,
"spacegroup": 11
},
{
"id": "jvasp-103382",
"created_at": "2022-09-04T14:36:42.066245Z",
"updated_at": "2022-09-04T14:36:42.066264Z",
"structure_string": "Lu4 Sn2 Au4\n1.0\n8.162410 0.000000 -0.000000\n-0.000000 8.162410 0.000000\n-0.000000 0.000000 3.520468\nLu Sn Au\n4 2 4\ndirect\n0.840080 0.340080 0.500000 Lu\n0.159920 0.659920 0.500000 Lu\n0.340080 0.159920 0.500000 Lu\n0.659920 0.840080 0.500000 Lu\n0.000000 0.000000 0.500000 Sn\n0.500000 0.500000 0.500000 Sn\n0.632256 0.132256 0.000000 Au\n0.367744 0.867744 0.000000 Au\n0.132256 0.367744 0.000000 Au\n0.867744 0.632256 0.000000 Au\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Lu",
"Sn",
"Au"
],
"chemical_system": "Au-Lu-Sn",
"density": 12.213491202981489,
"density_atomic": 0.04263465838622426,
"volume": 234.55095873903176,
"volume_molar": 14.124988889194013,
"formula_full": "Lu4 Sn2 Au4",
"formula_reduced": "Lu2SnAu2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.707145668,
"spacegroup": 127
},
{
"id": "jvasp-104120",
"created_at": "2022-09-04T14:36:53.696214Z",
"updated_at": "2022-09-04T14:36:53.696246Z",
"structure_string": "H6 C11 S2 O1\n1.0\n3.814562 0.015314 0.024982\n1.455455 6.343471 2.066416\n-0.589235 -0.320522 9.595124\nH C S O\n6 11 2 1\ndirect\n0.922187 0.180550 0.200188 H\n0.530109 0.114269 0.807601 H\n0.364536 0.284515 0.528790 H\n0.096522 0.886463 0.177055 H\n0.245620 0.733707 0.974296 H\n0.791522 0.328581 0.404129 H\n0.890045 0.418837 0.310760 C\n0.962800 0.334308 0.196182 C\n0.876590 0.698866 0.434805 C\n0.940489 0.617641 0.307040 C\n0.095236 0.446206 0.077281 C\n0.188834 0.397590 0.837694 C\n0.133315 0.648351 0.066006 C\n0.029749 0.560581 0.573538 C\n0.264215 0.361912 0.609075 C\n0.354906 0.268709 0.757871 C\n0.050540 0.733537 0.180964 C\n0.620324 0.937844 0.415247 S\n0.925468 0.636410 0.731031 S\n0.223898 0.328629 0.983203 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.5454284229065924,
"density_atomic": 0.08526808754498191,
"volume": 234.55434003312547,
"volume_molar": 7.062596257741922,
"formula_full": "H6 C11 S2 O1",
"formula_reduced": "H6C11S2O",
"formula_anonymous": "AB2C6D11",
"energy_above_hull": 5.5651676750000005,
"spacegroup": 1
},
{
"id": "jvasp-112718",
"created_at": "2022-09-04T14:38:41.923945Z",
"updated_at": "2022-09-04T14:38:41.923971Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.976189 0.000202 0.000000\n-1.988195 5.453028 0.000000\n0.000000 -0.000000 10.817760\nCa Sn O\n2 4 10\ndirect\n0.807030 0.614035 0.750000 Ca\n0.192970 0.385966 0.250000 Ca\n0.131502 0.262970 0.563271 Sn\n0.868498 0.737031 0.436728 Sn\n0.868498 0.737031 0.063272 Sn\n0.131502 0.262970 0.936729 Sn\n0.801154 0.602353 0.250000 O\n0.198846 0.397648 0.750000 O\n0.305849 0.611716 0.053202 O\n0.694152 0.388285 0.946798 O\n0.694152 0.388285 0.553202 O\n0.305849 0.611716 0.446797 O\n-0.047809 -0.095441 0.609710 O\n0.047809 0.095440 0.390290 O\n-0.047809 -0.095441 0.890290 O\n0.047809 0.095440 0.109711 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.061729488338827,
"density_atomic": 0.06821342391553062,
"volume": 234.5579371563721,
"volume_molar": 8.828380712068169,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.554032395833333,
"spacegroup": 63
},
{
"id": "jvasp-4609",
"created_at": "2022-09-04T14:36:17.762156Z",
"updated_at": "2022-09-04T14:36:17.762189Z",
"structure_string": "Mn2 P2 Se6\n1.0\n5.791033 -0.000322 4.932609\n2.277772 5.324264 4.932613\n-0.000492 -0.000330 7.607016\nMn P Se\n2 2 6\ndirect\n0.832472 0.832472 0.832473 Mn\n0.167527 0.167527 0.167528 Mn\n0.556344 0.556344 0.556344 P\n0.443656 0.443656 0.443656 P\n0.412416 0.754359 0.078167 Se\n0.078167 0.412416 0.754360 Se\n0.754359 0.078167 0.412417 Se\n0.587584 0.245641 0.921834 Se\n0.921833 0.587584 0.245641 Se\n0.245640 0.921833 0.587584 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"P",
"Se"
],
"chemical_system": "Mn-P-Se",
"density": 4.570111553031698,
"density_atomic": 0.04263096905487761,
"volume": 234.571257039156,
"volume_molar": 14.126211281399385,
"formula_full": "Mn2 P2 Se6",
"formula_reduced": "MnPSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.3841845682758613,
"spacegroup": 148
},
{
"id": "jvasp-45185",
"created_at": "2022-09-04T14:37:59.955319Z",
"updated_at": "2022-09-04T14:37:59.955339Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.685078 0.003938 -0.051766\n-0.707979 6.647485 0.051766\n-1.437021 1.291336 5.298433\nTi V Co O\n1 4 1 12\ndirect\n0.914198 0.914199 0.250000 Ti\n0.197479 0.603927 0.752083 V\n0.388977 0.800598 0.254093 V\n0.603926 0.197480 0.747917 V\n0.800598 0.388978 0.245907 V\n0.082237 0.082237 0.750000 Co\n0.816431 0.028620 0.862046 O\n0.622987 0.334690 0.437588 O\n0.635408 0.924402 0.249293 O\n0.657135 0.384513 0.938475 O\n0.334690 0.622988 0.062411 O\n0.186005 0.972556 0.129029 O\n0.384512 0.657136 0.561524 O\n0.924401 0.635408 0.250707 O\n0.087490 0.362356 0.777441 O\n0.028619 0.816432 0.637953 O\n0.362355 0.087490 0.722559 O\n0.972556 0.186005 0.370970 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-O-Ti-V",
"density": 3.5575437045464544,
"density_atomic": 0.07673378151526612,
"volume": 234.57725716826448,
"volume_molar": 7.848095898677821,
"formula_full": "Ti1 V4 Co1 O12",
"formula_reduced": "TiV4CoO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.6021248907407406,
"spacegroup": 5
},
{
"id": "jvasp-38035",
"created_at": "2022-09-04T14:37:58.872736Z",
"updated_at": "2022-09-04T14:37:58.872757Z",
"structure_string": "Ca6 Al2 N1 F1\n1.0\n-0.000006 4.895014 4.895023\n4.895002 -0.000001 4.895018\n4.895008 4.895014 -0.000007\nCa Al N F\n6 2 1 1\ndirect\n0.241342 0.758658 0.758659 Ca\n0.241341 0.758659 0.241341 Ca\n0.758658 0.241341 0.758659 Ca\n0.758658 0.758658 0.241340 Ca\n0.241340 0.241341 0.758659 Ca\n0.758658 0.241341 0.241340 Ca\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.749999 Al\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Al",
"N",
"F"
],
"chemical_system": "Al-Ca-F-N",
"density": 2.3178405334626593,
"density_atomic": 0.042629259660669244,
"volume": 234.58066313138988,
"volume_molar": 14.126777729513725,
"formula_full": "Ca6 Al2 N1 F1",
"formula_reduced": "Ca6Al2NF",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.5833241652500001,
"spacegroup": 225
},
{
"id": "jvasp-120753",
"created_at": "2022-09-04T14:38:53.454358Z",
"updated_at": "2022-09-04T14:38:53.454384Z",
"structure_string": "Li4 Mn1 Fe3 B4 O12\n1.0\n5.188420 -0.133420 -0.005278\n-0.088036 5.829343 1.064005\n-0.210273 -0.199756 7.722181\nLi Mn Fe B O\n4 1 3 4 12\ndirect\n0.587510 0.891929 0.810841 Li\n0.912302 0.607707 0.687911 Li\n0.083247 0.373509 0.310170 Li\n0.415076 0.122344 0.190833 Li\n0.084390 0.087542 0.672925 Mn\n0.422458 0.420588 0.830127 Fe\n0.892636 0.884038 0.314166 Fe\n0.603838 0.600518 0.178359 Fe\n0.098354 0.738787 -0.002355 B\n0.588838 0.258429 0.499826 B\n0.398636 0.757477 0.499387 B\n0.914097 0.248049 0.003442 B\n0.052281 0.137488 0.143822 O\n0.363540 0.726887 0.983281 O\n0.946117 0.836325 0.859976 O\n0.038983 0.342613 0.849044 O\n0.134018 0.774632 0.512562 O\n0.547586 0.661478 0.640215 O\n0.516520 0.853080 0.343273 O\n0.471200 0.165954 0.658241 O\n0.442255 0.356773 0.358428 O\n0.851584 0.243922 0.485168 O\n0.984649 0.638436 0.154220 O\n0.649882 0.271477 0.016143 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.4363650541740918,
"density_atomic": 0.10230470347731911,
"volume": 234.59331960549386,
"volume_molar": 5.886474966749798,
"formula_full": "Li4 Mn1 Fe3 B4 O12",
"formula_reduced": "Li4MnFe3(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.322998169779693,
"spacegroup": 1
},
{
"id": "jvasp-90166",
"created_at": "2022-09-04T14:36:06.725688Z",
"updated_at": "2022-09-04T14:36:06.725718Z",
"structure_string": "Ca1 U2 P2 O4\n1.0\n5.627217 -0.000000 -0.000000\n-0.000000 5.627217 -0.000000\n-2.813608 -2.813608 7.408712\nCa U P O\n1 2 2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.727470 0.727470 0.454938 U\n0.272530 0.272530 0.545062 U\n0.250000 0.750000 0.500000 P\n0.750000 0.250000 0.500000 P\n0.603299 0.603299 0.206597 O\n0.396701 0.396701 0.793402 O\n0.856431 0.856431 0.712861 O\n0.143569 0.143569 0.287139 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ca",
"U",
"P",
"O"
],
"chemical_system": "Ca-O-P-U",
"density": 4.5447378751111005,
"density_atomic": 0.03836299195575014,
"volume": 234.60109707764886,
"volume_molar": 15.697786989466955,
"formula_full": "Ca1 U2 P2 O4",
"formula_reduced": "CaU2(PO2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.34838638,
"spacegroup": 139
}
]
}