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{
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"results": [
{
"id": "jvasp-116329",
"created_at": "2022-09-04T14:38:42.549392Z",
"updated_at": "2022-09-04T14:38:42.549418Z",
"structure_string": "Mg1 V1 O1\n1.0\n2.809466 0.000000 0.000000\n-0.000000 2.809466 -0.000000\n0.000000 -0.000000 6.525994\nMg V O\n1 1 1\ndirect\n0.000000 0.000000 0.293739 Mg\n0.000000 0.000000 0.743373 V\n0.000000 0.000000 -0.001961 O\n",
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"volume": 51.51031805425282,
"volume_molar": 10.34007953050266,
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{
"id": "jvasp-38538",
"created_at": "2022-09-04T14:38:00.843209Z",
"updated_at": "2022-09-04T14:38:00.843227Z",
"structure_string": "Li2 Br2\n1.0\n2.062195 -3.571826 0.000000\n2.062195 3.571826 0.000000\n0.000000 -0.000000 6.655743\nLi Br\n2 2\ndirect\n0.333334 0.666668 0.376848 Li\n0.666668 0.333334 0.876848 Li\n0.333334 0.666668 0.998149 Br\n0.666668 0.333334 0.498150 Br\n",
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"formula_full": "Li2 Br2",
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{
"id": "jvasp-45078",
"created_at": "2022-09-04T14:38:08.433428Z",
"updated_at": "2022-09-04T14:38:08.433453Z",
"structure_string": "Na6 Mn2 P2 C2 O14\n1.0\n0.000000 5.282388 -0.002550\n6.621327 0.000000 0.000000\n0.000000 -0.077293 -9.002156\nNa Mn P C O\n6 2 2 2 14\ndirect\n-0.000040 0.513567 0.999952 Na\n0.560739 0.763701 0.836402 Na\n0.500109 0.513412 0.500065 Na\n0.499892 0.013412 0.499935 Na\n0.439262 0.263701 0.163599 Na\n0.000041 0.013567 0.000049 Na\n0.979963 0.263456 0.704567 Mn\n0.020038 0.763456 0.295433 Mn\n0.984093 0.263470 0.342675 P\n0.015908 0.763470 0.657325 P\n0.502719 0.263477 0.850410 C\n0.497282 0.763477 0.149590 C\n0.072620 0.450419 0.251038 O\n0.072867 0.076514 0.251129 O\n0.443192 0.763338 0.288982 O\n0.696382 0.263390 0.364561 O\n0.127414 0.263578 0.494837 O\n0.872587 0.763579 0.505164 O\n0.680849 0.263519 0.950776 O\n0.556809 0.263337 0.711019 O\n0.927134 0.576514 0.748871 O\n0.927381 0.950419 0.748962 O\n0.265802 0.263562 0.892937 O\n0.734199 0.763562 0.107063 O\n0.303619 0.763390 0.635439 O\n0.319152 0.763519 0.049225 O\n",
"nsites": 26,
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"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.9416070138756485,
"density_atomic": 0.08257520854334673,
"volume": 314.8644788023957,
"volume_molar": 7.292916198738705,
"formula_full": "Na6 Mn2 P2 C2 O14",
"formula_reduced": "Na3MnPCO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.4899972493368714,
"spacegroup": 11
},
{
"id": "jvasp-99686",
"created_at": "2022-09-04T14:36:37.333597Z",
"updated_at": "2022-09-04T14:36:37.333621Z",
"structure_string": "K2 Rb1 Al1 F6\n1.0\n5.405639 0.000000 3.120947\n1.801880 5.096486 3.120947\n0.000000 0.000000 6.241895\nK Rb Al F\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.793060 0.206940 0.206940 F\n0.206940 0.206940 0.793060 F\n0.206940 0.793061 0.793060 F\n0.206940 0.793061 0.206940 F\n0.793060 0.206940 0.793060 F\n0.793060 0.793061 0.206940 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Al",
"F"
],
"chemical_system": "Al-F-K-Rb",
"density": 2.941687250792687,
"density_atomic": 0.05815213532037901,
"volume": 171.96273094542016,
"volume_molar": 10.35583771227328,
"formula_full": "K2 Rb1 Al1 F6",
"formula_reduced": "K2RbAlF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-21143",
"created_at": "2022-09-04T14:37:47.710285Z",
"updated_at": "2022-09-04T14:37:47.710315Z",
"structure_string": "Li2 Ca2 Al2 F12\n1.0\n2.515620 -4.357183 0.000000\n2.515620 4.357183 -0.000000\n0.000000 -0.000000 9.680807\nLi Ca Al F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.652038 0.625008 0.642659 F\n0.347962 0.972969 0.142659 F\n0.972969 0.347962 0.642659 F\n0.374992 0.347962 0.857341 F\n0.652038 0.027031 0.857341 F\n0.027031 0.652038 0.357341 F\n0.625008 0.972969 0.357341 F\n0.027031 0.374992 0.142659 F\n0.347962 0.374992 0.357341 F\n0.972969 0.625008 0.857341 F\n0.374992 0.027031 0.642659 F\n0.625008 0.652038 0.142659 F\n",
"nsites": 18,
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"elements": [
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"Ca",
"Al",
"F"
],
"chemical_system": "Al-Ca-F-Li",
"density": 2.941871213814023,
"density_atomic": 0.08481645332705598,
"volume": 212.22297436313693,
"volume_molar": 7.100203467337122,
"formula_full": "Li2 Ca2 Al2 F12",
"formula_reduced": "LiCaAlF6",
"formula_anonymous": "ABCD6",
"energy_above_hull": 0.0,
"spacegroup": 163
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{
"id": "jvasp-107115",
"created_at": "2022-09-04T14:36:50.939653Z",
"updated_at": "2022-09-04T14:36:50.939680Z",
"structure_string": "K2 Nd1 Cu1 Cl6\n1.0\n6.370659 -0.000000 3.678102\n2.123553 6.006315 3.678102\n-0.000000 -0.000000 7.356204\nK Nd Cu Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750001 0.749999 K\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.499999 Cu\n0.259823 0.740177 0.740176 Cl\n0.740176 0.740177 0.259823 Cl\n0.740176 0.259824 0.259823 Cl\n0.740176 0.259824 0.740176 Cl\n0.259823 0.740177 0.259823 Cl\n0.259823 0.259824 0.740176 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Nd",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-K-Nd",
"density": 2.94201241526902,
"density_atomic": 0.035526610225293194,
"volume": 281.47914863210036,
"volume_molar": 16.9510705406747,
"formula_full": "K2 Nd1 Cu1 Cl6",
"formula_reduced": "K2NdCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-38244",
"created_at": "2022-09-04T14:35:43.028858Z",
"updated_at": "2022-09-04T14:35:43.028876Z",
"structure_string": "Rb3 In1\n1.0\n-3.331686 3.331686 4.718895\n3.331686 -3.331686 4.718895\n3.331686 3.331686 -4.718895\nRb In\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.499999 0.499999 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"In"
],
"chemical_system": "In-Rb",
"density": 2.9420745189306783,
"density_atomic": 0.01909112662743328,
"volume": 209.52142207532899,
"volume_molar": 31.54418739932506,
"formula_full": "Rb3 In1",
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"formula_anonymous": "AB3",
"energy_above_hull": 4.999999999977245e-06,
"spacegroup": 225
},
{
"id": "jvasp-36543",
"created_at": "2022-09-04T14:37:27.423720Z",
"updated_at": "2022-09-04T14:37:27.423747Z",
"structure_string": "C3 N1\n1.0\n-2.417037 -2.417037 0.000000\n-2.417037 0.000000 -2.417037\n-0.000000 -2.417037 -2.417037\nC N\n3 1\ndirect\n0.500001 0.500001 0.500001 C\n0.250000 0.250000 0.250000 C\n0.750001 0.750001 0.750001 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
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"elements": [
"C",
"N"
],
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"density": 2.942226427421524,
"density_atomic": 0.14163810243129316,
"volume": 28.240988345211342,
"volume_molar": 4.2517801754095546,
"formula_full": "C3 N1",
"formula_reduced": "C3N",
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"spacegroup": 225
},
{
"id": "jvasp-36467",
"created_at": "2022-09-04T14:37:30.080547Z",
"updated_at": "2022-09-04T14:37:30.080574Z",
"structure_string": "Ca3 Sb1 P1\n1.0\n5.360682 0.000000 0.000000\n0.000000 5.360682 0.000000\n0.000000 0.000000 5.360682\nCa Sb P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 P\n",
"nsites": 5,
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"elements": [
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"Sb",
"P"
],
"chemical_system": "Ca-P-Sb",
"density": 2.9423905743790146,
"density_atomic": 0.03245711157629513,
"volume": 154.04944424111113,
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"formula_full": "Ca3 Sb1 P1",
"formula_reduced": "Ca3SbP",
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},
{
"id": "jvasp-91420",
"created_at": "2022-09-04T14:35:46.465794Z",
"updated_at": "2022-09-04T14:35:46.465813Z",
"structure_string": "Rb8 Li4 Nb4 S16\n1.0\n7.041695 0.043767 0.291883\n1.168688 10.789806 3.592270\n0.051034 0.006479 11.867612\nRb Li Nb S\n8 4 4 16\ndirect\n0.265482 0.371978 0.278110 Rb\n0.734519 0.628023 0.721889 Rb\n0.749500 0.156197 0.856334 Rb\n0.751747 0.651547 0.348109 Rb\n0.250500 0.843804 0.143665 Rb\n0.675466 0.098304 0.251823 Rb\n0.324534 0.901696 0.748177 Rb\n0.248253 0.348454 0.651891 Rb\n0.171084 0.009438 0.414394 Li\n0.783651 0.480603 0.071386 Li\n0.828916 0.990563 0.585605 Li\n0.216349 0.519398 0.928614 Li\n0.776769 0.274682 0.485938 Nb\n0.223231 0.725319 0.514062 Nb\n0.211578 0.229205 0.013202 Nb\n0.788423 0.770796 0.986797 Nb\n0.266098 0.101093 0.898369 S\n0.454786 0.856813 0.465290 S\n0.160576 0.115651 0.206984 S\n0.061115 0.146563 0.532168 S\n0.958472 0.376320 0.935533 S\n0.533698 0.661745 0.993905 S\n0.733902 0.898907 0.101631 S\n0.041529 0.623681 0.064466 S\n0.240331 0.619275 0.713297 S\n0.938885 0.853438 0.467831 S\n0.746900 0.404429 0.599367 S\n0.253100 0.595572 0.400633 S\n0.759669 0.380726 0.286702 S\n0.466302 0.338256 0.006094 S\n0.545214 0.143188 0.534709 S\n0.839424 0.884350 0.793015 S\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Li-Nb-Rb-S",
"density": 2.9425144246875976,
"density_atomic": 0.03552546857969608,
"volume": 900.7622215654321,
"volume_molar": 16.95161527986669,
"formula_full": "Rb8 Li4 Nb4 S16",
"formula_reduced": "Rb2LiNbS4",
"formula_anonymous": "ABC2D4",
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"spacegroup": 2
},
{
"id": "jvasp-38171",
"created_at": "2022-09-04T14:37:52.510198Z",
"updated_at": "2022-09-04T14:37:52.510224Z",
"structure_string": "Rb6 Ac2\n1.0\n4.566127 -7.908763 -0.000000\n4.566127 7.908763 -0.000000\n0.000000 -0.000000 7.553980\nRb Ac\n6 2\ndirect\n0.659822 0.829911 0.250000 Rb\n0.170090 0.829911 0.250000 Rb\n0.170089 0.340179 0.250000 Rb\n0.340179 0.170089 0.750000 Rb\n0.829911 0.170090 0.750000 Rb\n0.829911 0.659822 0.750000 Rb\n0.333333 0.666667 0.750000 Ac\n0.666667 0.333333 0.250000 Ac\n",
"nsites": 8,
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],
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"density": 2.942567402451156,
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"volume": 545.5849405241215,
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"formula_full": "Rb6 Ac2",
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"spacegroup": 194
},
{
"id": "jvasp-100888",
"created_at": "2022-09-04T14:36:40.309810Z",
"updated_at": "2022-09-04T14:36:40.309832Z",
"structure_string": "K3 Ce1 Br6\n1.0\n7.255464 -0.000000 4.188944\n2.418488 6.840517 4.188944\n-0.000000 -0.000000 8.377888\nK Ce Br\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ce\n0.757144 0.242856 0.242856 Br\n0.242856 0.242856 0.757144 Br\n0.242856 0.757144 0.757144 Br\n0.242856 0.757144 0.242855 Br\n0.757144 0.242856 0.757144 Br\n0.757144 0.757144 0.242855 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Br-Ce-K",
"density": 2.9425958428479957,
"density_atomic": 0.0240497923911386,
"volume": 415.8040051807102,
"volume_molar": 25.04030247770006,
"formula_full": "K3 Ce1 Br6",
"formula_reduced": "K3CeBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}