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_molar&page=289",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=287",
"results": [
{
"id": "jvasp-14279",
"created_at": "2022-09-04T14:36:53.598049Z",
"updated_at": "2022-09-04T14:36:53.598065Z",
"structure_string": "Mn3 N2\n1.0\n2.782694 -0.000000 -0.648226\n-0.151004 2.778594 -0.648226\n0.000610 0.000645 6.299483\nMn N\n3 2\ndirect\n0.668774 0.668773 0.337547 Mn\n0.331226 0.331227 0.662452 Mn\n0.000000 0.000000 0.000000 Mn\n0.840275 0.840275 0.680551 N\n0.159725 0.159725 0.319448 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.573580122542257,
"density_atomic": 0.1026487861517494,
"volume": 48.70978203880872,
"volume_molar": 5.866743276532518,
"formula_full": "Mn3 N2",
"formula_reduced": "Mn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.853731644827585,
"spacegroup": 139
},
{
"id": "jvasp-16862",
"created_at": "2022-09-04T14:38:00.648781Z",
"updated_at": "2022-09-04T14:38:00.648793Z",
"structure_string": "Mn3 N2\n1.0\n2.782694 -0.000000 -0.648226\n-0.151004 2.778594 -0.648226\n0.000610 0.000645 6.299483\nMn N\n3 2\ndirect\n0.668774 0.668773 0.337547 Mn\n0.331226 0.331227 0.662452 Mn\n0.000000 0.000000 0.000000 Mn\n0.840275 0.840275 0.680551 N\n0.159725 0.159725 0.319448 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.573580122542257,
"density_atomic": 0.1026487861517494,
"volume": 48.70978203880872,
"volume_molar": 5.866743276532518,
"formula_full": "Mn3 N2",
"formula_reduced": "Mn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.853731644827585,
"spacegroup": 139
},
{
"id": "jvasp-93295",
"created_at": "2022-09-04T14:36:09.559643Z",
"updated_at": "2022-09-04T14:36:09.559659Z",
"structure_string": "Mn3 N2\n1.0\n-2.020383 -2.020383 -0.000000\n-2.020383 2.020383 0.000000\n2.020383 0.000000 -5.966708\nMn N\n3 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.331224 0.331224 0.662449 Mn\n0.668775 0.668775 0.337552 Mn\n0.159724 0.159724 0.319449 N\n0.840276 0.840276 0.680552 N\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.5733378659105695,
"density_atomic": 0.1026450032284844,
"volume": 48.71157721014597,
"volume_molar": 5.866959492022143,
"formula_full": "Mn3 N2",
"formula_reduced": "Mn3N2",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.853727644827585,
"spacegroup": 139
},
{
"id": "jvasp-68750",
"created_at": "2022-09-04T14:35:49.601576Z",
"updated_at": "2022-09-04T14:35:49.601613Z",
"structure_string": "Be1 Co1 Ni1\n1.0\n1.219361 -2.111995 -0.000000\n1.219361 2.111995 0.000000\n0.000000 0.000000 5.675526\nBe Co Ni\n1 1 1\ndirect\n0.000000 0.000000 0.998972 Be\n0.666666 0.333333 0.317190 Co\n0.333333 0.666666 0.683840 Ni\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ni"
],
"chemical_system": "Be-Co-Ni",
"density": 7.1937361664184,
"density_atomic": 0.10262660338099786,
"volume": 29.23218640358387,
"volume_molar": 5.86801137483134,
"formula_full": "Be1 Co1 Ni1",
"formula_reduced": "BeCoNi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7841831333333331,
"spacegroup": 156
},
{
"id": "jvasp-38372",
"created_at": "2022-09-04T14:37:51.139237Z",
"updated_at": "2022-09-04T14:37:51.139246Z",
"structure_string": "Nd1 Be1 O3\n1.0\n3.652334 0.000000 0.000000\n-0.000000 3.652334 -0.000000\n-0.000000 -0.000000 3.652334\nNd Be O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.499999 0.499999 0.499999 Be\n0.499999 0.499999 0.000000 O\n0.499999 0.000000 0.499999 O\n0.000000 0.499999 0.499999 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Be",
"O"
],
"chemical_system": "Be-Nd-O",
"density": 6.859282160670146,
"density_atomic": 0.10262627027785333,
"volume": 48.7204688084528,
"volume_molar": 5.868030421153846,
"formula_full": "Nd1 Be1 O3",
"formula_reduced": "NdBeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.73272762,
"spacegroup": 221
},
{
"id": "jvasp-48912",
"created_at": "2022-09-04T14:35:51.875977Z",
"updated_at": "2022-09-04T14:35:51.875996Z",
"structure_string": "Mg11 Mn2 O13\n1.0\n0.000000 -2.134193 -2.134193\n-2.133465 12.843276 -14.977470\n4.266931 -0.000000 0.000000\nMg Mn O\n11 2 13\ndirect\n0.921789 0.156419 0.078209 Mg\n0.614770 0.770456 0.385229 Mg\n0.538807 0.922386 0.461193 Mg\n0.770515 0.458966 0.229483 Mg\n0.846152 0.307692 0.153846 Mg\n0.384150 0.231699 0.615849 Mg\n0.460284 0.079431 0.539715 Mg\n0.308156 0.383687 0.691843 Mg\n0.232023 0.535954 0.767977 Mg\n0.153499 0.693000 0.846501 Mg\n0.077534 0.844929 0.922465 Mg\n0.999633 0.000730 0.000365 Mn\n0.692671 0.614654 0.307328 Mn\n0.615657 0.768682 0.884342 O\n0.458643 0.082712 0.041356 O\n0.308377 0.383246 0.191622 O\n0.383929 0.232139 0.116070 O\n0.233663 0.532673 0.266337 O\n0.151651 0.696697 0.348349 O\n0.076647 0.846703 0.423353 O\n0.769986 0.460024 0.730013 O\n0.922319 0.155361 0.577679 O\n0.846152 0.307692 0.653846 O\n0.692768 0.614461 0.807231 O\n0.999537 0.000925 0.500461 O\n0.540654 0.918688 0.959346 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"O"
],
"chemical_system": "Mg-Mn-O",
"density": 3.8357705148762467,
"density_atomic": 0.10262549517847344,
"volume": 253.3483512531077,
"volume_molar": 5.868074740615912,
"formula_full": "Mg11 Mn2 O13",
"formula_reduced": "Mg11Mn2O13",
"formula_anonymous": "A2B11C13",
"energy_above_hull": 1.3933061358753316,
"spacegroup": 71
},
{
"id": "jvasp-30094",
"created_at": "2022-09-04T14:38:05.373762Z",
"updated_at": "2022-09-04T14:38:05.373782Z",
"structure_string": "Cu2 O4\n1.0\n1.693831 -2.371526 0.479422\n2.719122 -0.897178 3.903770\n-3.972523 -2.384634 2.179259\nCu O\n2 4\ndirect\n0.997564 0.000081 0.004205 Cu\n0.497529 0.000114 0.504186 Cu\n0.238176 0.756133 0.669693 O\n0.738276 0.756073 0.169696 O\n0.256860 0.244081 0.838713 O\n0.756880 0.244113 0.338675 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 5.427009477769044,
"density_atomic": 0.10261850459346888,
"volume": 58.468986892466056,
"volume_molar": 5.868474486017093,
"formula_full": "Cu2 O4",
"formula_reduced": "CuO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2851742708333331,
"spacegroup": 164
},
{
"id": "jvasp-116831",
"created_at": "2022-09-04T14:38:41.925550Z",
"updated_at": "2022-09-04T14:38:41.925578Z",
"structure_string": "Zn4 Co4 O8\n1.0\n2.980178 -0.000000 -0.000000\n-0.000001 8.545839 0.151962\n0.000000 0.125372 6.124620\nZn Co O\n4 4 8\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.250000 0.750000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500001 0.750000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.250000 0.250000 Co\n0.000000 0.500000 -0.000000 Co\n0.500001 0.750000 0.750000 Co\n0.000000 0.249948 0.499901 O\n0.500000 0.499948 0.249901 O\n0.000000 0.749948 -0.000100 O\n0.500000 -0.000052 0.749901 O\n0.000000 0.750052 0.500099 O\n0.500000 0.000052 0.250099 O\n0.000000 0.250052 0.000099 O\n0.500000 0.500052 0.750099 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"Co",
"O"
],
"chemical_system": "Co-O-Zn",
"density": 6.659843338545944,
"density_atomic": 0.10261291745810358,
"volume": 155.9257878671341,
"volume_molar": 5.868794016561135,
"formula_full": "Zn4 Co4 O8",
"formula_reduced": "ZnCoO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3592845749999998,
"spacegroup": 166
},
{
"id": "jvasp-48537",
"created_at": "2022-09-04T14:36:37.443161Z",
"updated_at": "2022-09-04T14:36:37.443187Z",
"structure_string": "Li4 V2 O4 F4\n1.0\n0.000000 5.037222 0.042008\n5.745727 0.000000 0.000000\n0.000000 -1.768117 -4.729254\nLi V O F\n4 2 4 4\ndirect\n0.249999 0.143224 0.499999 Li\n0.249999 0.604690 0.499999 Li\n0.749999 0.395310 0.499999 Li\n0.749999 0.856776 0.499999 Li\n0.250000 0.903597 -0.000000 V\n0.750000 0.096403 -0.000000 V\n0.010704 0.894063 0.229837 O\n0.489295 0.894063 0.770161 O\n0.510704 0.105937 0.229837 O\n0.989295 0.105937 0.770161 O\n0.023172 0.644686 0.732925 F\n0.523172 0.355315 0.732925 F\n0.476827 0.644686 0.267074 F\n0.976826 0.355315 0.267074 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.2813912207689944,
"density_atomic": 0.10260192526279545,
"volume": 136.44968127198047,
"volume_molar": 5.869422766264301,
"formula_full": "Li4 V2 O4 F4",
"formula_reduced": "Li2V(OF)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 1.2786788235714286,
"spacegroup": 13
},
{
"id": "jvasp-34471",
"created_at": "2022-09-04T14:37:07.710970Z",
"updated_at": "2022-09-04T14:37:07.710979Z",
"structure_string": "Sr2 Cu2 H12 O10\n1.0\n0.000000 5.381226 0.028770\n6.236875 0.000000 0.000000\n0.000000 -2.439372 -7.563556\nSr Cu H O\n2 2 12 10\ndirect\n0.000001 0.453929 0.750000 Sr\n0.000000 0.546072 0.250000 Sr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.628584 0.046098 0.607394 H\n0.628583 0.953903 0.107394 H\n0.651942 0.268956 0.964087 H\n0.348059 0.731044 0.035913 H\n0.432563 0.288293 0.143754 H\n0.371418 0.953903 0.392607 H\n0.567439 0.288293 0.356246 H\n0.651942 0.731044 0.464087 H\n0.432563 0.711708 0.643755 H\n0.567439 0.711708 0.856246 H\n0.371418 0.046098 0.892607 H\n0.348060 0.268956 0.535914 H\n0.157268 0.280349 0.505551 O\n0.714393 0.844697 0.056704 O\n0.500001 0.383052 0.250000 O\n0.842733 0.280349 0.994450 O\n0.842733 0.719652 0.494450 O\n0.157268 0.719652 0.005550 O\n0.285608 0.844697 0.443296 O\n0.500001 0.616949 0.750000 O\n0.285608 0.155304 0.943297 O\n0.714393 0.155304 0.556704 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"H",
"O"
],
"chemical_system": "Cu-H-O-Sr",
"density": 3.1087690271415314,
"density_atomic": 0.10260027999468145,
"volume": 253.4106144870928,
"volume_molar": 5.869516886612954,
"formula_full": "Sr2 Cu2 H12 O10",
"formula_reduced": "SrCuH6O5",
"formula_anonymous": "ABC5D6",
"energy_above_hull": 2.403071096923077,
"spacegroup": 13
},
{
"id": "jvasp-50085",
"created_at": "2022-09-04T14:37:05.649278Z",
"updated_at": "2022-09-04T14:37:05.649298Z",
"structure_string": "Ti1 O1\n1.0\n2.820904 -0.002711 0.000420\n-1.408066 2.444357 0.000413\n-0.000424 -0.000728 2.828831\nTi O\n1 1\ndirect\n0.665572 0.330964 0.989537 Ti\n0.998914 0.997628 0.489536 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.440039403664571,
"density_atomic": 0.10259129382628707,
"volume": 19.49483163148819,
"volume_molar": 5.870031008866117,
"formula_full": "Ti1 O1",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.7201859166666669,
"spacegroup": 187
},
{
"id": "jvasp-5299",
"created_at": "2022-09-04T14:37:02.791051Z",
"updated_at": "2022-09-04T14:37:02.791064Z",
"structure_string": "K4 B4 H16\n1.0\n3.391566 0.000000 0.000000\n0.000000 7.971067 0.000000\n0.000000 0.000000 8.653797\nK B H\n4 4 16\ndirect\n0.750001 0.213381 0.288052 K\n0.250000 0.786620 0.711948 K\n0.250000 0.286619 0.788053 K\n0.750001 0.713381 0.211948 K\n0.750001 0.974979 0.956980 B\n0.250000 0.025021 0.043020 B\n0.250000 0.525021 0.456980 B\n0.750001 0.474979 0.543020 B\n0.250000 0.183123 0.069691 H\n0.750001 0.816877 0.930309 H\n0.750001 0.028463 0.815215 H\n0.250000 0.971537 0.184785 H\n0.250000 0.471537 0.315215 H\n0.750001 0.528464 0.684786 H\n0.861262 0.898212 0.453324 H\n0.138739 0.101788 0.546677 H\n0.138739 0.601789 -0.046676 H\n0.638739 0.398212 0.046676 H\n0.250000 0.683123 0.430309 H\n0.638739 0.898212 0.453324 H\n0.861262 0.398212 0.046676 H\n0.361262 0.601789 -0.046676 H\n0.361262 0.101788 0.546677 H\n0.750001 0.316877 0.569691 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"B",
"H"
],
"chemical_system": "B-H-K",
"density": 1.5314581365642752,
"density_atomic": 0.10258593141800908,
"volume": 233.95020806709536,
"volume_molar": 5.870337849213899,
"formula_full": "K4 B4 H16",
"formula_reduced": "KBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.534495097222223,
"spacegroup": 62
}
]
}