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=formula_anonymous&page=194",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=192",
"results": [
{
"id": "jvasp-28495",
"created_at": "2022-09-04T14:37:36.059262Z",
"updated_at": "2022-09-04T14:37:36.059271Z",
"structure_string": "Te2 Mo3 Se4\n1.0\n3.404385 0.000000 0.000000\n-1.702192 2.948287 0.000000\n-0.000000 0.000000 29.922471\nTe Mo Se\n2 3 4\ndirect\n0.333357 0.666712 0.409659 Te\n0.333357 0.666712 0.284306 Te\n0.333312 0.666623 0.116506 Mo\n0.333312 0.666623 0.577459 Mo\n0.666688 0.333375 0.346982 Mo\n0.666646 0.333287 0.061501 Se\n0.666648 0.333292 0.522346 Se\n0.666648 0.333292 0.171619 Se\n0.666646 0.333287 0.632463 Se\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Te",
"Mo",
"Se"
],
"chemical_system": "Mo-Se-Te",
"density": 4.748600059021143,
"density_atomic": 0.02996654190488188,
"volume": 300.3349545158496,
"volume_molar": 20.096215236029376,
"formula_full": "Te2 Mo3 Se4",
"formula_reduced": "Te2Mo3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.280489633333333,
"spacegroup": 187
},
{
"id": "jvasp-3159",
"created_at": "2022-09-04T14:35:51.317652Z",
"updated_at": "2022-09-04T14:35:51.317684Z",
"structure_string": "Rb2 Pd3 S4\n1.0\n6.056576 -0.013619 -1.330118\n-3.369496 5.032626 -1.330058\n-0.028639 -0.053421 7.292227\nRb Pd S\n2 3 4\ndirect\n0.842515 0.842515 0.685030 Rb\n0.157486 0.157486 0.314970 Rb\n0.500000 -0.000000 -0.000000 Pd\n0.500000 0.500000 -0.000000 Pd\n-0.000000 0.500000 -0.000000 Pd\n0.214481 0.550076 0.764552 S\n0.449929 0.785524 0.235448 S\n0.550071 0.214477 0.764552 S\n0.785519 0.449924 0.235448 S\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"S"
],
"chemical_system": "Pd-Rb-S",
"density": 4.64536684229515,
"density_atomic": 0.04071035611000228,
"volume": 221.07396888598467,
"volume_molar": 14.792650655591778,
"formula_full": "Rb2 Pd3 S4",
"formula_reduced": "Rb2Pd3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.318354122222222,
"spacegroup": 69
},
{
"id": "jvasp-35262",
"created_at": "2022-09-04T14:37:56.414177Z",
"updated_at": "2022-09-04T14:37:56.414209Z",
"structure_string": "Na4 Zn6 Se8\n1.0\n2.879108 -5.537092 -0.000000\n5.923907 -0.436827 6.770859\n-3.044802 -5.100263 6.770859\nNa Zn Se\n4 6 8\ndirect\n0.741121 0.623369 0.376631 Na\n0.258879 0.376632 0.623368 Na\n0.758879 0.123369 0.876631 Na\n0.241121 0.876632 0.123368 Na\n0.750000 0.461272 0.038728 Zn\n0.250000 0.538729 0.961271 Zn\n0.750000 0.038729 0.461271 Zn\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750001 0.750000 Zn\n0.250000 0.961272 0.538728 Zn\n0.094599 0.766326 0.506116 Se\n0.594598 0.006116 0.266325 Se\n0.132960 0.266325 0.006116 Se\n0.905402 0.233675 0.493883 Se\n0.367040 0.493884 0.233675 Se\n0.405402 0.993884 0.733675 Se\n0.867040 0.733676 0.993883 Se\n0.632960 0.506117 0.766325 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Zn",
"Se"
],
"chemical_system": "Na-Se-Zn",
"density": 4.338755316122247,
"density_atomic": 0.042139381030845684,
"volume": 427.15387743413095,
"volume_molar": 14.29100431160069,
"formula_full": "Na4 Zn6 Se8",
"formula_reduced": "Na2Zn3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.1189785703703705,
"spacegroup": 72
},
{
"id": "jvasp-11468",
"created_at": "2022-09-04T14:38:13.063253Z",
"updated_at": "2022-09-04T14:38:13.063272Z",
"structure_string": "Rb4 Ni6 Se8\n1.0\n5.963696 -0.000000 1.303720\n2.981848 5.319752 0.651860\n0.082255 0.000000 13.915658\nRb Ni Se\n4 6 8\ndirect\n0.298458 0.250000 0.403085 Rb\n0.701544 0.750000 0.596915 Rb\n0.548459 0.750000 0.903085 Rb\n0.451543 0.250000 0.096915 Rb\n0.625446 0.250000 0.749112 Ni\n0.875446 0.750000 0.249112 Ni\n0.125001 0.750000 0.750000 Ni\n0.124556 0.250000 0.750888 Ni\n0.374556 0.750000 0.250888 Ni\n0.875001 0.250000 0.250000 Ni\n0.236940 0.417276 0.863823 Se\n0.018039 0.082724 0.636177 Se\n0.899238 0.082724 0.863823 Se\n0.763062 0.582724 0.136177 Se\n0.981963 0.917276 0.363823 Se\n0.654216 0.582724 0.363823 Se\n0.100764 0.917276 0.136177 Se\n0.345785 0.417276 0.636177 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Rb",
"Ni",
"Se"
],
"chemical_system": "Ni-Rb-Se",
"density": 4.992856437057578,
"density_atomic": 0.040824740225462626,
"volume": 440.9091129690348,
"volume_molar": 14.751204114812605,
"formula_full": "Rb4 Ni6 Se8",
"formula_reduced": "Rb2Ni3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.8203234074074072,
"spacegroup": 70
},
{
"id": "jvasp-106747",
"created_at": "2022-09-04T14:36:55.112111Z",
"updated_at": "2022-09-04T14:36:55.112129Z",
"structure_string": "Sm2 P3 Pt4\n1.0\n4.084388 0.008137 -9.128157\n-0.178799 4.080481 -9.128157\n-0.007773 -0.008137 10.000271\nSm P Pt\n2 3 4\ndirect\n0.627657 0.627657 -0.000000 Sm\n0.372344 0.372344 -0.000000 Sm\n0.925502 0.925502 -0.000000 P\n0.074498 0.074498 -0.000000 P\n0.750001 0.250000 0.500000 P\n0.803649 0.803649 -0.000000 Pt\n0.196352 0.196352 -0.000000 Pt\n0.999176 0.499176 0.500000 Pt\n0.500825 0.000825 0.500000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sm",
"P",
"Pt"
],
"chemical_system": "P-Pt-Sm",
"density": 11.738200868914207,
"density_atomic": 0.05419200941300484,
"volume": 166.07614475797988,
"volume_molar": 11.112599117896567,
"formula_full": "Sm2 P3 Pt4",
"formula_reduced": "Sm2P3Pt4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.83461665,
"spacegroup": 119
},
{
"id": "jvasp-116742",
"created_at": "2022-09-04T14:38:45.349536Z",
"updated_at": "2022-09-04T14:38:45.349557Z",
"structure_string": "Ba6 Sc4 N8\n1.0\n7.619415 0.110699 -0.370405\n-6.276085 7.390182 -0.000000\n-0.007006 -0.005949 6.442785\nBa Sc N\n6 4 8\ndirect\n0.229405 0.962906 0.075724 Ba\n0.770594 0.733500 0.424276 Ba\n0.770594 0.037094 0.924276 Ba\n0.229406 0.266500 0.575724 Ba\n-0.000001 0.596370 0.750001 Ba\n-0.000000 0.403630 0.250000 Ba\n0.563584 0.394968 0.079384 Sc\n0.436415 0.831383 0.420616 Sc\n0.563584 0.168616 0.579384 Sc\n0.436415 0.605032 0.920616 Sc\n0.364118 0.748002 0.100285 N\n0.245080 0.913597 0.504853 N\n0.754919 0.668517 -0.004854 N\n0.754920 0.086403 0.495147 N\n0.245080 0.331483 0.004853 N\n0.635882 0.251998 0.899715 N\n0.364117 0.616117 0.600285 N\n0.635882 0.383883 0.399715 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"N"
],
"chemical_system": "Ba-N-Sc",
"density": 5.045610127805305,
"density_atomic": 0.04901572879286839,
"volume": 367.2290597996563,
"volume_molar": 12.286139384866596,
"formula_full": "Ba6 Sc4 N8",
"formula_reduced": "Ba3Sc2N4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.169846823333333,
"spacegroup": 15
},
{
"id": "jvasp-48482",
"created_at": "2022-09-04T14:36:14.180538Z",
"updated_at": "2022-09-04T14:36:14.180563Z",
"structure_string": "Mn6 O8 F4\n1.0\n-4.787887 4.787887 3.008752\n-0.172985 4.550065 -2.913903\n-4.550065 0.172985 -2.913903\nMn O F\n6 8 4\ndirect\n0.838827 0.671085 0.671085 Mn\n0.666667 0.333333 0.333333 Mn\n0.318098 0.641877 0.641877 Mn\n0.166667 0.333333 0.333333 Mn\n0.494505 0.995580 0.995580 Mn\n0.015235 0.024789 0.024789 Mn\n0.014053 0.702709 0.313038 O\n0.014053 0.313038 0.702709 O\n0.666667 0.634155 0.032511 O\n0.319280 0.963955 0.353628 O\n0.953292 0.249774 0.249774 O\n0.319280 0.353628 0.963955 O\n0.666667 0.032511 0.634155 O\n0.380041 0.416892 0.416892 O\n0.692771 0.109225 0.109225 F\n0.314380 0.869984 0.869984 F\n0.640562 0.557442 0.557442 F\n0.018953 0.796680 0.796680 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.807003259131621,
"density_atomic": 0.09764906740442908,
"volume": 184.33355769236533,
"volume_molar": 6.167125728972248,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6770329210153254,
"spacegroup": 12
},
{
"id": "jvasp-91229",
"created_at": "2022-09-04T14:35:54.904921Z",
"updated_at": "2022-09-04T14:35:54.904948Z",
"structure_string": "K4 Pd6 Se8\n1.0\n6.230249 0.000000 1.488924\n3.115124 5.505599 0.744461\n0.101975 0.000000 13.352681\nK Pd Se\n4 6 8\ndirect\n0.302080 0.250000 0.395840 K\n0.447919 0.250000 0.104160 K\n0.697918 0.750000 0.604160 K\n0.552079 0.750000 0.895839 K\n0.124999 0.750000 0.750000 Pd\n0.626033 0.250000 0.747931 Pd\n0.123965 0.250000 0.752069 Pd\n0.373965 0.750000 0.252069 Pd\n0.876033 0.750000 0.247931 Pd\n0.875000 0.250000 0.250000 Pd\n0.886564 0.084791 0.879211 Se\n0.765776 0.584791 0.120789 Se\n0.971356 0.915210 0.379211 Se\n0.113434 0.915210 0.120789 Se\n0.234223 0.415210 0.879211 Se\n0.028643 0.084791 0.620789 Se\n0.350566 0.415210 0.620789 Se\n0.649433 0.584791 0.379211 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Pd",
"Se"
],
"chemical_system": "K-Pd-Se",
"density": 5.181603272101326,
"density_atomic": 0.03937199455327404,
"volume": 457.177752974752,
"volume_molar": 15.295493226413697,
"formula_full": "K4 Pd6 Se8",
"formula_reduced": "K2Pd3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.0653629518518517,
"spacegroup": 70
},
{
"id": "jvasp-116741",
"created_at": "2022-09-04T14:38:44.750276Z",
"updated_at": "2022-09-04T14:38:44.750295Z",
"structure_string": "Mg6 Fe4 N8\n1.0\n6.097328 0.002665 -0.031160\n-4.675093 5.926473 -0.000001\n0.004390 0.003463 5.090568\nMg Fe N\n6 4 8\ndirect\n0.229927 0.985878 0.048503 Mg\n0.770072 0.755950 0.451497 Mg\n0.770072 0.014121 0.951497 Mg\n0.229927 0.244048 0.548503 Mg\n-0.000000 0.604981 0.750000 Mg\n-0.000000 0.395018 0.250000 Mg\n0.594790 0.423554 0.106204 Fe\n0.405210 0.828764 0.393797 Fe\n0.594790 0.171234 0.606204 Fe\n0.405209 0.576444 0.893797 Fe\n0.312267 0.740744 0.052632 N\n0.212377 0.937982 0.516765 N\n0.787622 0.725604 0.983236 N\n0.787622 0.062016 0.483236 N\n0.212378 0.274394 0.016765 N\n0.687732 0.259254 0.947369 N\n0.312267 0.571522 0.552632 N\n0.687732 0.428476 0.447369 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 4.342873545719308,
"density_atomic": 0.09781772909405997,
"volume": 184.01572155382473,
"volume_molar": 6.15649209583388,
"formula_full": "Mg6 Fe4 N8",
"formula_reduced": "Mg3(FeN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.2184801277777777,
"spacegroup": 15
},
{
"id": "jvasp-101761",
"created_at": "2022-09-04T14:36:40.021950Z",
"updated_at": "2022-09-04T14:36:40.021976Z",
"structure_string": "Fe4 Se3 N2\n1.0\n4.875413 -0.023642 4.264936\n1.125014 3.091598 -0.000000\n0.078723 -0.028647 8.718593\nFe Se N\n4 3 2\ndirect\n0.390793 0.804603 0.635425 Fe\n0.609205 0.195397 0.364577 Fe\n0.552072 0.723964 0.151719 Fe\n0.447926 0.276036 0.848282 Fe\n0.000000 0.000000 0.000000 Se\n0.770124 0.614937 0.785820 Se\n0.229874 0.385063 0.214181 Se\n0.434543 0.782728 0.406863 N\n0.565455 0.217272 0.593138 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Fe",
"Se",
"N"
],
"chemical_system": "Fe-N-Se",
"density": 6.214423345062426,
"density_atomic": 0.0689812693569137,
"volume": 130.4701998658998,
"volume_molar": 8.730110095308685,
"formula_full": "Fe4 Se3 N2",
"formula_reduced": "Fe4Se3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.697758733333333,
"spacegroup": 12
},
{
"id": "jvasp-105379",
"created_at": "2022-09-04T14:38:44.486826Z",
"updated_at": "2022-09-04T14:38:44.486845Z",
"structure_string": "Ti2 As4 W3\n1.0\n5.138373 0.006772 4.746829\n4.036793 3.179186 4.746829\n-0.017608 -0.006114 9.549376\nTi As W\n2 4 3\ndirect\n0.998524 0.998527 0.002650 Ti\n0.632213 0.632217 0.669813 Ti\n0.713852 0.713855 0.340519 As\n0.279073 0.279076 0.667234 As\n0.053349 0.053350 0.237143 As\n0.946855 0.946860 0.768013 As\n0.374100 0.374102 0.318283 W\n0.306305 0.306306 0.060660 W\n0.695712 0.695716 0.935691 W\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"As",
"W"
],
"chemical_system": "As-Ti-W",
"density": 10.077545447381485,
"density_atomic": 0.057680037200188085,
"volume": 156.03318646907275,
"volume_molar": 10.440597912756484,
"formula_full": "Ti2 As4 W3",
"formula_reduced": "Ti2As4W3",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 5.318794851851852,
"spacegroup": 8
},
{
"id": "jvasp-119514",
"created_at": "2022-09-04T14:38:44.459557Z",
"updated_at": "2022-09-04T14:38:44.459587Z",
"structure_string": "Mg6 Cr4 N8\n1.0\n6.173331 0.007079 -0.066961\n-4.279837 5.868697 0.000000\n-0.017896 -0.013051 5.435834\nMg Cr N\n6 4 8\ndirect\n0.225375 0.990553 0.974523 Mg\n0.774624 0.765177 0.525476 Mg\n0.774624 0.009448 0.025477 Mg\n0.225375 0.234824 0.474523 Mg\n-0.000000 0.595509 0.749999 Mg\n-0.000000 0.404492 0.250000 Mg\n0.610302 0.433585 0.102515 Cr\n0.389698 0.823283 0.397484 Cr\n0.610301 0.176718 0.602515 Cr\n0.389698 0.566416 0.897484 Cr\n0.291324 0.735535 0.063883 N\n0.220037 0.945071 0.569953 N\n0.779962 0.725035 0.930045 N\n0.779963 0.054930 0.430046 N\n0.220037 0.274966 0.069954 N\n0.708675 0.264466 0.936116 N\n0.291324 0.555790 0.563883 N\n0.708676 0.444211 0.436116 N\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"N"
],
"chemical_system": "Cr-Mg-N",
"density": 3.925050511402054,
"density_atomic": 0.09132838490794604,
"volume": 197.0909703280421,
"volume_molar": 6.59394203244696,
"formula_full": "Mg6 Cr4 N8",
"formula_reduced": "Mg3(CrN2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 3.560246105555556,
"spacegroup": 15
}
]
}