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=-spacegroup&page=3873",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3871",
"results": [
{
"id": "jvasp-31918",
"created_at": "2022-09-04T14:37:08.123808Z",
"updated_at": "2022-09-04T14:37:08.123839Z",
"structure_string": "Al8 Cr4 Cl32\n1.0\n6.007857 0.000000 0.000000\n0.000000 12.655101 -0.000000\n0.000000 -0.000000 14.817147\nAl Cr Cl\n8 4 32\ndirect\n0.876251 0.091260 0.737865 Al\n0.618029 0.908699 0.010610 Al\n0.381971 0.408699 0.989390 Al\n0.876251 0.591259 0.762135 Al\n0.618029 0.408699 0.489390 Al\n0.123750 0.091260 0.237865 Al\n0.123750 0.591259 0.262135 Al\n0.381971 0.908699 0.510611 Al\n0.247782 0.499922 0.625865 Cr\n0.752219 -0.000078 0.374135 Cr\n0.247782 -0.000078 0.874135 Cr\n0.752219 0.499922 0.125865 Cr\n0.015419 0.430167 0.744282 Cl\n0.515428 0.831337 0.624343 Cl\n0.480875 0.845335 0.882588 Cl\n0.480875 0.345335 0.617413 Cl\n-0.006124 0.169174 0.123809 Cl\n0.014727 0.154515 0.865774 Cl\n0.484572 0.331337 0.375657 Cl\n0.984581 0.430167 0.244282 Cl\n0.985273 0.654515 0.134226 Cl\n0.519126 0.345335 0.117413 Cl\n0.006124 0.169174 0.623809 Cl\n0.984581 0.930167 0.255718 Cl\n0.520460 0.091385 0.740939 Cl\n0.519155 0.070020 0.492249 Cl\n0.515428 0.331337 0.875657 Cl\n0.479540 0.591385 0.259061 Cl\n0.484572 0.831337 0.124343 Cl\n0.026306 0.908977 0.508140 Cl\n0.480846 0.070020 0.992249 Cl\n0.015419 0.930167 0.755718 Cl\n0.973695 0.908977 0.008140 Cl\n0.006124 0.669174 0.876191 Cl\n0.014727 0.654515 0.634226 Cl\n0.519126 0.845335 0.382587 Cl\n0.026306 0.408977 -0.008140 Cl\n0.480846 0.570020 0.507751 Cl\n0.520460 0.591385 0.759062 Cl\n0.479540 0.091385 0.240939 Cl\n0.973695 0.408977 0.491861 Cl\n-0.006124 0.669174 0.376191 Cl\n0.519155 0.570020 0.007751 Cl\n0.985273 0.154515 0.365774 Cl\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Cl"
],
"chemical_system": "Al-Cl-Cr",
"density": 2.296992048604383,
"density_atomic": 0.03905735997135439,
"volume": 1126.548236549287,
"volume_molar": 15.41870921233996,
"formula_full": "Al8 Cr4 Cl32",
"formula_reduced": "Al2CrCl8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.8574723218181813,
"spacegroup": 29
},
{
"id": "jvasp-29751",
"created_at": "2022-09-04T14:37:09.461106Z",
"updated_at": "2022-09-04T14:37:09.461128Z",
"structure_string": "Co4 As4 S4\n1.0\n4.880151 -0.000305 -0.000231\n0.000303 6.061660 -0.003065\n0.000341 -0.001701 7.049635\nCo As S\n4 4 4\ndirect\n0.012218 0.053986 0.576475 Co\n0.987788 0.946022 0.076402 Co\n0.487786 0.053994 0.076477 Co\n0.512207 0.946012 0.576399 Co\n0.694589 0.778632 0.855349 As\n0.305401 0.221373 0.355633 As\n0.194609 0.221373 0.855636 As\n0.805396 0.778629 0.355346 As\n0.821669 0.284276 0.080257 S\n0.678347 0.284270 0.580260 S\n0.321662 0.715722 0.079881 S\n0.178322 0.715717 0.579879 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"As",
"S"
],
"chemical_system": "As-Co-S",
"density": 5.284645713368508,
"density_atomic": 0.05754264648826339,
"volume": 208.540981903701,
"volume_molar": 10.465526227105837,
"formula_full": "Co4 As4 S4",
"formula_reduced": "CoAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.15624755,
"spacegroup": 29
},
{
"id": "jvasp-52653",
"created_at": "2022-09-04T14:37:30.326173Z",
"updated_at": "2022-09-04T14:37:30.326195Z",
"structure_string": "Hf4 O8\n1.0\n5.037152 0.000000 0.000000\n0.000000 5.064610 0.000000\n0.000000 0.000000 5.252929\nHf O\n4 8\ndirect\n0.267306 0.241650 0.032824 Hf\n0.267306 0.741650 0.467176 Hf\n0.732693 0.241650 0.532824 Hf\n0.732693 0.741650 0.967176 Hf\n0.071110 0.379698 0.367718 O\n0.071110 0.879698 0.132282 O\n0.459999 0.491652 0.733445 O\n0.459999 0.991652 0.766556 O\n0.540001 0.991652 0.266555 O\n0.540001 0.491652 0.233445 O\n0.928890 0.379698 0.867718 O\n0.928890 0.879698 0.632282 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 10.432910597289613,
"density_atomic": 0.08954650723708706,
"volume": 134.00857688651442,
"volume_molar": 6.72515427548227,
"formula_full": "Hf4 O8",
"formula_reduced": "HfO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7834499999999998,
"spacegroup": 29
},
{
"id": "jvasp-12751",
"created_at": "2022-09-04T14:38:16.461314Z",
"updated_at": "2022-09-04T14:38:16.461334Z",
"structure_string": "Se4 O4 F8\n1.0\n5.447295 0.000000 0.000000\n0.000000 6.087027 0.000000\n0.000000 0.000000 7.498739\nSe O F\n4 4 8\ndirect\n0.460180 0.751813 0.810852 Se\n0.539819 0.251813 0.189148 Se\n0.039820 0.251813 0.810852 Se\n0.960179 0.751813 0.189148 Se\n0.267354 0.383801 0.906298 O\n0.232645 0.883801 0.906298 O\n0.767354 0.383801 0.093702 O\n0.732645 0.883801 0.093702 O\n0.128472 0.983034 0.275263 F\n0.628471 0.983034 0.724737 F\n0.871527 0.483034 0.724737 F\n0.371528 0.483034 0.275263 F\n0.833491 0.699354 0.402015 F\n0.166508 0.199354 0.597986 F\n0.666508 0.199354 0.402015 F\n0.333491 0.699354 0.597986 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se",
"density": 3.5517577971075136,
"density_atomic": 0.06434956587931233,
"volume": 248.6419260389109,
"volume_molar": 9.358479234023942,
"formula_full": "Se4 O4 F8",
"formula_reduced": "SeOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5240643579166666,
"spacegroup": 29
},
{
"id": "jvasp-9617",
"created_at": "2022-09-04T14:38:26.845887Z",
"updated_at": "2022-09-04T14:38:26.845908Z",
"structure_string": "Co4 As4 S4\n1.0\n5.598873 0.000000 0.000000\n0.000000 5.604344 0.000000\n0.000000 0.000000 5.607927\nCo As S\n4 4 4\ndirect\n0.501656 0.494202 0.239941 Co\n0.501656 0.994201 0.760060 Co\n0.001657 0.005798 0.239941 Co\n0.001657 0.505798 0.760060 Co\n0.382963 0.879128 0.370448 As\n0.882962 0.620871 0.370448 As\n0.382963 0.379129 0.629553 As\n0.882962 0.120871 0.629553 As\n0.622380 0.118773 0.129460 S\n0.122380 0.381227 0.129460 S\n0.122380 0.881226 0.870540 S\n0.622380 0.618773 0.870540 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"As",
"S"
],
"chemical_system": "As-Co-S",
"density": 6.2629585626068955,
"density_atomic": 0.06819515064691345,
"volume": 175.9655911918295,
"volume_molar": 8.830746325615111,
"formula_full": "Co4 As4 S4",
"formula_reduced": "CoAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 2.055380883333333,
"spacegroup": 29
},
{
"id": "jvasp-10013",
"created_at": "2022-09-04T14:38:32.995103Z",
"updated_at": "2022-09-04T14:38:32.995137Z",
"structure_string": "K4 Ge4 N4 O4\n1.0\n5.280893 0.000000 0.000000\n0.000000 5.777669 0.000000\n0.000000 0.000000 8.130564\nK Ge N O\n4 4 4 4\ndirect\n0.023709 0.045645 0.636495 K\n0.523709 0.454355 0.636495 K\n0.523709 0.954355 0.363504 K\n0.023709 0.545645 0.363504 K\n0.992964 0.089293 0.096293 Ge\n0.492964 0.910707 0.903707 Ge\n0.492964 0.410707 0.096293 Ge\n0.992964 0.589293 0.903707 Ge\n0.647067 0.625869 0.955728 N\n0.147068 0.374131 0.044272 N\n0.147068 0.874131 0.955728 N\n0.647067 0.125869 0.044272 N\n0.528257 0.974605 0.692898 O\n0.528257 0.474605 0.307102 O\n0.028257 0.525395 0.692898 O\n0.028257 0.025395 0.307102 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"Ge",
"N",
"O"
],
"chemical_system": "Ge-K-N-O",
"density": 3.795196792160138,
"density_atomic": 0.06449696581222845,
"volume": 248.07368530453323,
"volume_molar": 9.337091573474018,
"formula_full": "K4 Ge4 N4 O4",
"formula_reduced": "KGeNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 1.5692601749999997,
"spacegroup": 29
},
{
"id": "jvasp-21113",
"created_at": "2022-09-04T14:38:34.295129Z",
"updated_at": "2022-09-04T14:38:34.295155Z",
"structure_string": "Li4 Si4 N4 O4\n1.0\n4.785311 0.000000 0.000000\n0.000000 5.219618 0.000000\n0.000000 0.000000 6.365193\nLi Si N O\n4 4 4 4\ndirect\n0.997214 0.598415 0.387796 Li\n0.497214 0.401585 0.612203 Li\n0.497214 0.901585 0.387796 Li\n0.997214 0.098415 0.612203 Li\n0.511268 0.419579 0.121719 Si\n0.511268 0.919579 0.878281 Si\n0.011268 0.080421 0.121719 Si\n0.011268 0.580421 0.878281 Si\n0.147119 0.391523 0.086769 N\n0.647118 0.608477 0.913231 N\n0.647118 0.108477 0.086769 N\n0.147119 0.891523 0.913231 N\n0.594399 0.042374 0.653647 O\n0.094399 0.457626 0.653647 O\n0.094399 0.957626 0.346353 O\n0.594399 0.542374 0.346353 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Si",
"N",
"O"
],
"chemical_system": "Li-N-O-Si",
"density": 2.7169380844610265,
"density_atomic": 0.10063742545420822,
"volume": 158.98657907619346,
"volume_molar": 5.983997238423174,
"formula_full": "Li4 Si4 N4 O4",
"formula_reduced": "LiSiNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.3421788375,
"spacegroup": 29
},
{
"id": "jvasp-5680",
"created_at": "2022-09-04T14:36:46.952386Z",
"updated_at": "2022-09-04T14:36:46.952411Z",
"structure_string": "Hg4 Te2 O6\n1.0\n3.596550 0.000000 0.000000\n0.000000 5.896406 0.000000\n0.000000 0.000000 11.540511\nHg Te O\n4 2 6\ndirect\n0.048815 0.814208 0.940170 Hg\n0.048815 0.185792 0.059830 Hg\n0.048815 0.185792 0.440170 Hg\n0.048815 0.814208 0.559830 Hg\n0.463009 0.557161 0.250000 Te\n0.463009 0.442839 0.750000 Te\n0.094133 0.534409 0.373903 O\n0.094133 0.465592 0.626097 O\n0.094133 0.465592 0.873903 O\n0.094133 0.534409 0.126097 O\n0.557995 0.243626 0.250000 O\n0.557995 0.756375 0.750000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hg",
"Te",
"O"
],
"chemical_system": "Hg-O-Te",
"density": 7.826893229299706,
"density_atomic": 0.049032351871089286,
"volume": 244.73637388533066,
"volume_molar": 12.28197410524541,
"formula_full": "Hg4 Te2 O6",
"formula_reduced": "Hg2TeO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.7862145777777778,
"spacegroup": 28
},
{
"id": "jvasp-23375",
"created_at": "2022-09-04T14:37:35.092845Z",
"updated_at": "2022-09-04T14:37:35.092864Z",
"structure_string": "Te16 Au8\n1.0\n4.457702 0.000000 0.000000\n0.000000 8.923832 0.000000\n0.000000 0.000000 16.891335\nTe Au\n16 8\ndirect\n0.454590 0.027594 0.380986 Te\n0.916035 0.695472 0.506961 Te\n0.916035 0.304528 0.493039 Te\n0.916035 0.304528 0.006961 Te\n0.916035 0.695472 0.993039 Te\n0.094425 0.370150 0.250000 Te\n0.011908 0.023043 0.750000 Te\n0.011908 0.976957 0.250000 Te\n0.094425 0.629850 0.750000 Te\n0.513426 0.359942 0.870624 Te\n0.513426 0.359942 0.629375 Te\n0.513426 0.640058 0.370624 Te\n0.454590 0.027594 0.119014 Te\n0.454590 0.972406 0.880986 Te\n0.454590 0.972406 0.619014 Te\n0.513426 0.640058 0.129375 Te\n0.960807 0.000000 0.500000 Au\n0.492740 0.332876 0.373942 Au\n0.492740 0.667124 0.626058 Au\n0.492740 0.667124 0.873941 Au\n0.492740 0.332876 0.126058 Au\n0.009273 0.328223 0.750000 Au\n0.009273 0.671777 0.250000 Au\n0.960807 0.000000 0.000000 Au\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Te",
"Au"
],
"chemical_system": "Au-Te",
"density": 8.93945702398118,
"density_atomic": 0.03571781212444488,
"volume": 671.9336536174528,
"volume_molar": 16.86032934777243,
"formula_full": "Te16 Au8",
"formula_reduced": "Te2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6430677011111112,
"spacegroup": 28
},
{
"id": "jvasp-122113",
"created_at": "2022-09-04T14:38:55.461283Z",
"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Ce",
"C",
"O"
],
"chemical_system": "C-Ce-Na-O",
"density": 3.9942885746403656,
"density_atomic": 0.0849599632486544,
"volume": 235.4049982515354,
"volume_molar": 7.0882101753915,
"formula_full": "Na2 Ce2 C4 O12",
"formula_reduced": "NaCe(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": null,
"spacegroup": 26
},
{
"id": "jvasp-99058",
"created_at": "2022-09-04T14:35:42.754679Z",
"updated_at": "2022-09-04T14:35:42.754705Z",
"structure_string": "Na4 Nb4 O12\n1.0\n5.635018 0.000000 0.000000\n0.000000 5.549815 0.000000\n0.000000 0.000000 7.834247\nNa Nb O\n4 4 12\ndirect\n0.200109 0.755784 0.000000 Na\n0.700109 0.244215 0.000000 Na\n0.250443 0.759602 0.500000 Na\n0.750443 0.240397 0.500000 Na\n0.227661 0.255792 0.250718 Nb\n0.727661 0.744207 0.250718 Nb\n0.227661 0.255792 0.749283 Nb\n0.727661 0.744207 0.749283 Nb\n0.178374 0.325658 0.500000 O\n0.678374 0.674342 0.500000 O\n0.491735 0.043870 0.289142 O\n0.907946 0.455508 0.786986 O\n0.407946 0.544491 0.213014 O\n0.407946 0.544491 0.786986 O\n0.907946 0.455508 0.213014 O\n0.491735 0.043870 0.710858 O\n0.991735 0.956129 0.289142 O\n0.991735 0.956129 0.710858 O\n0.710393 0.822332 0.000000 O\n0.210393 0.177667 0.000000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.443262742804662,
"density_atomic": 0.08163171518002299,
"volume": 245.0028148482959,
"volume_molar": 7.377207188063281,
"formula_full": "Na4 Nb4 O12",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0354557799999995,
"spacegroup": 26
},
{
"id": "jvasp-62827",
"created_at": "2022-09-04T14:35:42.835573Z",
"updated_at": "2022-09-04T14:35:42.835609Z",
"structure_string": "Mg2 B4 H16\n1.0\n0.000000 5.334863 -0.000317\n4.306030 0.000000 0.000000\n0.000000 -0.000563 -8.451117\nMg B H\n2 4 16\ndirect\n0.716304 0.000000 0.995663 Mg\n0.283694 0.000000 0.495661 Mg\n0.055302 0.500000 0.523075 B\n0.944698 0.500000 0.023077 B\n0.472880 0.000000 0.753797 B\n0.527118 0.000000 0.253795 B\n0.475449 0.759588 0.323808 H\n0.524552 0.240413 0.823809 H\n0.524552 0.759587 0.823809 H\n0.475449 0.240412 0.323808 H\n0.244895 0.000000 0.736605 H\n0.755103 0.000000 0.236604 H\n0.404421 0.000000 0.129997 H\n0.996599 0.278165 0.936751 H\n0.003402 0.721836 0.436747 H\n0.932974 0.500000 0.643012 H\n0.996599 0.721835 0.936751 H\n0.003402 0.278164 0.436747 H\n0.718114 0.500000 0.055960 H\n0.281887 0.500000 0.555958 H\n0.595573 0.000000 0.629999 H\n0.067029 0.500000 0.143014 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 0.9235962588703566,
"density_atomic": 0.11332043747816622,
"volume": 194.13973762887036,
"volume_molar": 5.314258305047845,
"formula_full": "Mg2 B4 H16",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.133770383333333,
"spacegroup": 26
}
]
}