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=chemical_system&page=4021",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4019",
"results": [
{
"id": "jvasp-40087",
"created_at": "2022-09-04T14:37:41.391472Z",
"updated_at": "2022-09-04T14:37:41.391507Z",
"structure_string": "Ti1 Tc2 Mo1\n1.0\n0.000000 3.108924 3.108924\n3.108924 0.000000 3.108924\n3.108924 3.108924 0.000000\nTi Tc Mo\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Tc\n0.499998 0.499998 0.499998 Tc\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Mo"
],
"chemical_system": "Mo-Tc-Ti",
"density": 9.389038206307713,
"density_atomic": 0.06655791045969355,
"volume": 60.098040524008624,
"volume_molar": 9.047971485894102,
"formula_full": "Ti1 Tc2 Mo1",
"formula_reduced": "TiTc2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.088439308333333,
"spacegroup": 225
},
{
"id": "jvasp-51145",
"created_at": "2022-09-04T14:36:43.335760Z",
"updated_at": "2022-09-04T14:36:43.335779Z",
"structure_string": "Zn1 Tc1 Mo1\n1.0\n-0.000000 2.985368 2.985368\n2.985368 -0.000000 2.985368\n2.985368 2.985368 0.000000\nZn Tc Mo\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Mo\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zn",
"Tc",
"Mo"
],
"chemical_system": "Mo-Tc-Zn",
"density": 8.09300967524602,
"density_atomic": 0.056376438837106725,
"volume": 53.213719452343504,
"volume_molar": 10.682016963505422,
"formula_full": "Zn1 Tc1 Mo1",
"formula_reduced": "ZnTcMo",
"formula_anonymous": "ABC",
"energy_above_hull": 3.1458559333333334,
"spacegroup": 216
},
{
"id": "jvasp-28409",
"created_at": "2022-09-04T14:36:03.974098Z",
"updated_at": "2022-09-04T14:36:03.974124Z",
"structure_string": "Te2 Mo1\n1.0\n3.562562 -0.000000 0.000015\n-1.781280 3.085270 -0.000014\n0.000065 -0.000034 16.371633\nTe Mo\n2 1\ndirect\n0.666669 0.333331 0.106427 Te\n0.666663 0.333336 0.327745 Te\n0.333333 0.666667 0.217091 Mo\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 3.2402744342056016,
"density_atomic": 0.016671460457844935,
"volume": 179.94824194231393,
"volume_molar": 36.122454749705014,
"formula_full": "Te2 Mo1",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2606504777777783,
"spacegroup": 187
},
{
"id": "jvasp-28457",
"created_at": "2022-09-04T14:36:53.668078Z",
"updated_at": "2022-09-04T14:36:53.668097Z",
"structure_string": "Te6 Mo3\n1.0\n3.569956 0.000000 -0.000000\n-1.784977 3.091672 0.000000\n0.000000 -0.000000 32.879654\nTe Mo\n6 3\ndirect\n0.333333 0.666667 0.293408 Te\n0.666667 0.333333 0.061279 Te\n0.666667 0.333333 0.525788 Te\n0.666667 0.333333 0.171365 Te\n0.666667 0.333333 0.635873 Te\n0.333333 0.666667 0.403744 Te\n0.333333 0.666667 0.116193 Mo\n0.333333 0.666667 0.580960 Mo\n0.666667 0.333333 0.348576 Mo\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 4.8202231269135565,
"density_atomic": 0.024800417646732582,
"volume": 362.89711440346395,
"volume_molar": 24.282416714838707,
"formula_full": "Te6 Mo3",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2434271444444445,
"spacegroup": 187
},
{
"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-87078",
"created_at": "2022-09-04T14:35:48.615652Z",
"updated_at": "2022-09-04T14:35:48.615668Z",
"structure_string": "Te8 Mo6\n1.0\n7.153203 -0.012018 -0.317927\n-0.331837 7.145512 -0.317927\n-0.011492 -0.012018 7.160256\nTe Mo\n8 6\ndirect\n0.290468 0.290467 0.290468 Te\n0.709532 0.709532 0.709532 Te\n0.878930 0.617175 0.241457 Te\n0.241457 0.878930 0.617176 Te\n0.617176 0.241457 0.878931 Te\n0.121069 0.382824 0.758543 Te\n0.758542 0.121069 0.382824 Te\n0.382824 0.758542 0.121069 Te\n0.955493 0.253840 0.081033 Mo\n0.081033 0.955494 0.253840 Mo\n0.253841 0.081033 0.955494 Mo\n0.044506 0.746159 0.918967 Mo\n0.918967 0.044506 0.746159 Mo\n0.746159 0.918966 0.044505 Mo\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.244995345214827,
"density_atomic": 0.038261716384774054,
"volume": 365.900992501507,
"volume_molar": 15.739337721912714,
"formula_full": "Te8 Mo6",
"formula_reduced": "Te4Mo3",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.4903941095238094,
"spacegroup": 148
},
{
"id": "jvasp-60",
"created_at": "2022-09-04T14:36:57.039551Z",
"updated_at": "2022-09-04T14:36:57.039561Z",
"structure_string": "Te4 Mo2\n1.0\n1.784666 -3.091133 0.000000\n1.784666 3.091133 0.000000\n0.000000 0.000000 14.250889\nTe Mo\n4 2\ndirect\n0.333334 0.666668 0.622863 Te\n0.666668 0.333334 0.122863 Te\n0.666668 0.333334 0.377137 Te\n0.333334 0.666668 0.877137 Te\n0.333334 0.666668 0.250000 Mo\n0.666668 0.333334 0.750000 Mo\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.416735708612652,
"density_atomic": 0.03815967400388922,
"volume": 157.2340476333336,
"volume_molar": 15.781426118541331,
"formula_full": "Te4 Mo2",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2307571444444445,
"spacegroup": 194
},
{
"id": "jvasp-63",
"created_at": "2022-09-04T14:37:44.062291Z",
"updated_at": "2022-09-04T14:37:44.062320Z",
"structure_string": "Te8 Mo4\n1.0\n0.000000 6.373789 -0.008478\n3.524854 0.000000 0.000000\n0.000000 -0.626136 -14.096850\nTe Mo\n8 4\ndirect\n0.583624 0.749999 0.103120 Te\n0.416376 0.250000 0.896880 Te\n0.091240 0.250000 0.147085 Te\n0.908759 0.749999 0.852915 Te\n0.565618 0.250000 0.353109 Te\n0.434381 0.749999 0.646891 Te\n0.063044 0.749999 0.396704 Te\n0.936956 0.250000 0.603297 Te\n0.180370 0.749999 0.007457 Mo\n0.819629 0.250000 0.992543 Mo\n0.320967 0.250000 0.506987 Mo\n0.679032 0.749999 0.493013 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.363814538526332,
"density_atomic": 0.03788739052531613,
"volume": 316.72806793019095,
"volume_molar": 15.894841730987096,
"formula_full": "Te8 Mo4",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.234683811111111,
"spacegroup": 11
},
{
"id": "jvasp-8",
"created_at": "2022-09-04T14:38:05.211675Z",
"updated_at": "2022-09-04T14:38:05.211693Z",
"structure_string": "Te8 Mo4\n1.0\n3.526439 0.000000 0.000000\n0.000000 6.370843 0.000000\n0.000000 0.000000 14.104775\nTe Mo\n8 4\ndirect\n0.000000 0.831321 0.654525 Te\n0.500000 0.168679 0.154525 Te\n0.000000 0.673651 0.110590 Te\n0.500000 0.326348 0.610590 Te\n0.000000 0.325670 0.860553 Te\n0.500000 0.674330 0.360552 Te\n0.000000 0.179491 0.404461 Te\n0.500000 0.820508 0.904461 Te\n0.000000 0.573350 0.500299 Mo\n0.500000 0.426650 0.000298 Mo\n0.000000 0.067535 0.014775 Mo\n0.500000 0.932465 0.514775 Mo\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Te",
"Mo"
],
"chemical_system": "Mo-Te",
"density": 7.360205706935297,
"density_atomic": 0.03786882281002207,
"volume": 316.883364983402,
"volume_molar": 15.902635236937517,
"formula_full": "Te8 Mo4",
"formula_reduced": "Te2Mo",
"formula_anonymous": "AB2",
"energy_above_hull": 2.234690477777778,
"spacegroup": 62
},
{
"id": "jvasp-11422",
"created_at": "2022-09-04T14:37:07.035376Z",
"updated_at": "2022-09-04T14:37:07.035403Z",
"structure_string": "Tl2 Te6 Mo6\n1.0\n4.815154 -8.340091 -0.000000\n4.815153 8.340091 0.000000\n0.000000 -0.000000 4.609511\nTl Te Mo\n2 6 6\ndirect\n0.666667 0.333333 0.250000 Tl\n0.333333 0.666667 0.750000 Tl\n0.632245 0.692630 0.250000 Te\n0.939614 0.632244 0.750000 Te\n0.692630 0.060385 0.750000 Te\n0.307369 0.939614 0.250000 Te\n0.060385 0.367755 0.250000 Te\n0.367755 0.307370 0.750000 Te\n0.856931 0.028081 0.250000 Mo\n0.828849 0.856930 0.750000 Mo\n0.028082 0.171151 0.750000 Mo\n0.971918 0.828849 0.250000 Mo\n0.171151 0.143069 0.250000 Mo\n0.143069 0.971918 0.750000 Mo\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"Te",
"Mo"
],
"chemical_system": "Mo-Te-Tl",
"density": 7.849156837973115,
"density_atomic": 0.03781483925757534,
"volume": 370.22503003752473,
"volume_molar": 15.925337455437157,
"formula_full": "Tl2 Te6 Mo6",
"formula_reduced": "Tl(TeMo)3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.2304276571428567,
"spacegroup": 176
},
{
"id": "jvasp-28473",
"created_at": "2022-09-04T14:37:14.222952Z",
"updated_at": "2022-09-04T14:37:14.222978Z",
"structure_string": "Te6 Mo2 W1\n1.0\n3.567726 -0.000000 0.000000\n-1.783863 3.089785 -0.000000\n0.000000 -0.000000 30.885802\nTe Mo W\n6 2 1\ndirect\n0.333311 0.666620 0.405867 Te\n0.666669 0.333334 0.057477 Te\n0.666668 0.333332 0.519205 Te\n0.666668 0.333332 0.174760 Te\n0.666669 0.333334 0.636487 Te\n0.333311 0.666620 0.288098 Te\n0.333335 0.666668 0.116070 Mo\n0.333335 0.666668 0.577895 Mo\n0.666644 0.333285 0.346982 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 5.566444565210761,
"density_atomic": 0.026434060074666695,
"volume": 340.4698322761711,
"volume_molar": 22.781747272229925,
"formula_full": "Te6 Mo2 W1",
"formula_reduced": "Te6Mo2W",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.321876488888889,
"spacegroup": 187
},
{
"id": "jvasp-28849",
"created_at": "2022-09-04T14:37:17.398658Z",
"updated_at": "2022-09-04T14:37:17.398677Z",
"structure_string": "Te8 Mo1 W3\n1.0\n3.569740 0.000000 0.000000\n-1.784870 3.091463 -0.000024\n0.000000 -0.000272 38.050774\nTe Mo W\n8 1 3\ndirect\n0.333350 0.666700 0.329590 Te\n0.333354 0.666709 0.704687 Te\n0.666650 0.333299 0.046889 Te\n0.666649 0.333298 0.421579 Te\n0.666646 0.333292 0.142380 Te\n0.666663 0.333325 0.517124 Te\n0.333346 0.666693 0.234379 Te\n0.333341 0.666683 0.609202 Te\n0.666685 0.333369 0.281984 Mo\n0.333312 0.666624 0.094590 W\n0.333319 0.666639 0.469356 W\n0.666684 0.333367 0.656987 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Te",
"Mo",
"W"
],
"chemical_system": "Mo-Te-W",
"density": 6.597033664872647,
"density_atomic": 0.028577031404254244,
"volume": 419.91765450534405,
"volume_molar": 21.073360192001918,
"formula_full": "Te8 Mo1 W3",
"formula_reduced": "Te8MoW3",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.762863169444445,
"spacegroup": 156
}
]
}